#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dwb h GLU 102 N 0.00 0.00 0.17 -1.46 9.09 -2.04 1.13 114.58 121.47 3dwb h GLU 102 Ca 0.00 0.00 -0.26 0.00 0.05 0.00 0.00 59.36 59.15 3dwb h GLU 102 Cb 0.00 0.00 0.03 0.00 -1.65 0.00 0.00 28.75 27.13 3dwb h GLU 102 CO 0.00 0.00 -1.11 0.00 0.05 0.00 0.00 179.01 177.95 3dwb h ALA 103 N 1.90 -0.09 -0.92 1.06 0.00 -2.01 -0.89 119.26 118.32 3dwb h ALA 103 Ca 0.03 -0.76 -0.01 0.00 0.00 0.00 0.00 54.91 54.17 3dwb h ALA 103 Cb 0.17 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 3dwb h ALA 103 CO -0.00 0.54 0.52 0.00 0.00 0.00 0.00 179.25 180.31 3dwb h VAL 105 N 1.27 1.33 -0.89 0.00 2.07 0.12 0.48 116.25 120.63 3dwb h VAL 105 Ca 0.33 -1.64 -0.02 0.00 0.82 0.00 0.00 66.70 66.18 3dwb h VAL 105 Cb -0.01 1.88 -0.04 0.00 -1.52 0.00 0.00 31.29 31.60 3dwb h VAL 105 CO -0.06 0.51 0.48 0.77 0.02 0.00 0.00 177.57 179.29 3dwb h SER 106 N 0.30 1.12 -0.11 0.57 4.64 -1.17 -2.12 113.55 116.77 3dwb h SER 106 Ca 0.00 -0.11 -0.23 0.00 -0.47 0.00 0.00 61.79 60.99 3dwb h SER 106 Cb 1.01 -0.28 0.01 0.00 -0.31 0.00 0.00 62.40 62.83 3dwb h SER 106 CO 0.09 0.90 -0.83 0.58 -0.87 0.00 0.00 176.83 176.71 3dwb h VAL 107 N 1.24 1.28 -0.37 0.95 2.07 -0.94 -2.55 116.25 117.94 3dwb h VAL 107 Ca 0.31 -2.03 0.07 0.00 0.82 0.00 0.00 66.70 65.87 3dwb h VAL 107 Cb 0.04 2.11 -0.07 0.00 -1.52 0.00 0.00 31.29 31.86 3dwb h VAL 107 CO -0.05 0.64 -0.08 0.74 0.02 0.00 0.00 177.57 178.84 3dwb h THR 108 N 0.46 0.65 -0.63 2.57 2.02 -0.07 -1.64 112.91 116.27 3dwb h THR 108 Ca -0.07 -0.01 0.07 0.00 0.77 0.00 0.00 66.41 67.17 3dwb h THR 108 Cb 1.47 0.63 -0.06 0.00 -1.74 0.00 0.00 68.15 68.44 3dwb h THR 108 CO 0.17 0.00 0.31 0.28 0.37 0.00 0.00 175.52 176.65 3dwb h SER 109 N 0.02 0.41 0.02 4.18 0.02 -1.19 0.29 113.55 117.29 3dwb h SER 109 Ca 0.18 0.05 -0.15 0.00 -0.84 0.00 0.00 61.79 61.03 3dwb h SER 109 Cb 0.27 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 3dwb h SER 109 CO -0.37 0.26 -0.49 0.28 -1.14 0.00 0.00 176.83 175.37 3dwb h SER 110 N 0.56 0.58 0.60 3.07 0.02 -1.28 0.71 113.55 117.81 3dwb h SER 110 Ca 0.30 -0.29 -0.02 0.00 -0.84 0.00 0.00 61.79 60.94 3dwb h SER 110 Cb 0.27 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 3dwb h SER 110 CO -0.23 0.97 -0.41 0.40 -1.14 0.00 0.00 176.83 176.42 3dwb h ILE 111 N 0.42 0.16 -0.47 3.27 2.04 -0.55 -2.57 117.51 119.81 3dwb h ILE 111 Ca 0.02 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.88 3dwb h ILE 111 Cb 1.00 0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 3dwb h ILE 111 CO 0.09 0.00 0.31 -0.07 0.00 0.00 0.00 178.15 178.48 3dwb h LEU 112 N -0.98 0.55 -0.77 1.44 3.38 -0.12 -2.00 115.31 116.82 3dwb h LEU 112 Ca -0.07 -0.03 0.13 0.00 0.09 0.00 0.00 57.88 58.00 3dwb h LEU 112 Cb 0.81 -0.14 -0.13 0.00 0.09 0.00 0.00 40.66 41.28 3dwb h LEU 112 CO 0.04 0.41 -0.35 0.28 0.09 0.00 0.00 178.44 178.92 3dwb h SER 113 N 0.64 -1.26 0.48 -0.43 0.02 0.40 -2.65 113.55 110.76 3dwb h SER 113 Ca 0.17 0.26 -0.01 0.00 -0.84 0.00 0.00 61.79 61.38 3dwb h SER 113 Cb -0.05 0.65 -0.00 0.00 0.14 0.00 0.00 62.40 63.13 3dwb h SER 113 CO -0.04 -0.30 -0.04 0.28 -1.14 0.00 0.00 176.83 175.60 3dwb h SER 114 N -0.09 0.00 -2.97 3.07 0.02 -0.93 -3.39 113.55 109.26 3dwb h SER 114 Ca 0.29 0.00 -0.45 0.00 -0.84 0.00 0.00 61.79 60.78 3dwb h SER 114 Cb 0.57 0.00 0.07 0.00 0.14 0.00 0.00 62.40 63.19 3dwb h SER 114 CO -0.82 0.04 0.12 0.00 -1.14 0.00 0.00 176.83 175.04 3dwb s MET 115 N -3.99 2.10 -0.48 3.45 0.00 -1.00 -1.15 119.30 118.23 3dwb s MET 115 Ca -0.02 -0.65 0.03 0.00 0.00 0.00 0.00 55.69 55.05 3dwb s MET 115 Cb 0.12 -2.30 0.15 0.00 0.00 0.00 0.00 34.83 32.80 3dwb s MET 115 CO 0.51 -1.18 0.30 0.34 0.00 0.00 0.00 175.02 174.99 3dwb s ASP 116 N -4.56 3.48 0.44 -1.18 -1.08 0.08 -2.34 116.67 111.52 3dwb s ASP 116 Ca 0.61 -2.90 0.29 0.00 -0.52 0.00 0.00 52.55 50.03 3dwb s ASP 116 Cb -0.09 -1.03 1.57 0.00 -1.46 0.00 0.00 42.92 41.91 3dwb s ASP 116 CO 0.43 -0.22 1.88 1.55 0.52 0.00 0.00 175.17 179.33 3dwb h PRO 117 N 6.33 0.00 0.00 4.34 0.13 -1.91 0.03 132.00 140.91 3dwb h PRO 117 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 3dwb h PRO 117 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 3dwb h PRO 117 CO 0.50 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.27 3dwb h THR 118 N 0.00 0.00 -2.76 1.56 1.03 -1.95 -3.43 112.91 107.36 3dwb h THR 118 Ca 0.00 -0.20 -0.65 0.00 -0.01 0.00 0.00 66.41 65.55 3dwb h THR 118 Cb 0.03 1.05 -0.07 0.00 -1.07 0.00 0.00 68.15 68.09 3dwb h THR 118 CO 0.00 0.00 -0.44 -0.69 -0.01 0.00 0.00 175.52 174.38 3dwb s VAL 119 N -3.73 5.43 -0.19 0.00 1.01 -0.00 -5.09 120.40 117.83 3dwb s VAL 119 Ca -0.01 0.30 -0.24 0.00 0.00 0.00 0.00 61.98 62.04 3dwb s VAL 119 Cb 0.10 -3.45 -0.02 0.00 0.00 0.00 0.00 36.38 33.01 3dwb s VAL 119 CO 0.41 0.59 0.77 -0.62 0.00 0.00 0.00 175.10 176.25 3dwb s ASP 120 N -0.87 6.85 0.44 3.32 2.15 -1.26 -4.72 116.67 122.58 3dwb s ASP 120 Ca 0.16 1.05 0.16 0.00 0.43 0.00 0.00 52.55 54.35 3dwb s ASP 120 Cb -0.13 -2.42 1.08 0.00 -0.30 0.00 0.00 42.92 41.15 3dwb s ASP 120 CO 0.05 -0.38 1.93 1.55 -0.17 0.00 0.00 175.17 178.15 3dwb h PRO 121 N 7.43 0.37 -0.00 4.34 0.13 -1.94 0.23 132.00 142.56 3dwb h PRO 121 Ca -0.29 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 3dwb h PRO 121 Cb 1.13 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.18 3dwb h PRO 121 CO 0.82 0.24 -0.02 0.00 -0.23 0.00 0.00 178.00 178.82 3dwb n HIS 123 N -0.89 0.00 -3.31 0.00 -0.00 0.75 -2.52 115.22 109.25 3dwb n HIS 123 Ca 0.20 0.00 -0.08 0.00 -0.00 0.00 0.00 57.72 57.84 3dwb n HIS 123 Cb 0.19 -0.81 -0.06 0.00 -0.00 0.00 0.00 29.99 29.30 3dwb n HIS 123 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.34 176.68 3dwb s ASP 124 N -6.99 0.17 0.33 0.26 3.68 -0.86 -4.35 116.67 108.92 3dwb s ASP 124 Ca -0.34 0.00 0.18 0.00 2.13 0.00 0.00 52.55 54.53 3dwb s ASP 124 Cb 0.11 1.20 0.33 0.00 -1.45 0.00 0.00 42.92 43.11 3dwb s ASP 124 CO 0.44 -0.32 1.57 0.15 0.13 0.00 0.00 175.17 177.13 3dwb h PHE 125 N 8.16 0.00 0.18 -5.34 3.57 -1.73 -2.54 116.94 119.23 3dwb h PHE 125 Ca -0.15 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.34 3dwb h PHE 125 Cb 1.14 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.88 3dwb h PHE 125 CO 0.19 0.40 -0.09 0.35 -2.23 0.00 0.00 178.31 176.93 3dwb h PHE 126 N 0.00 -0.22 -0.61 0.41 3.04 -1.89 -0.35 116.94 117.32 3dwb h PHE 126 Ca -0.00 -0.01 0.12 0.00 3.98 0.00 0.00 57.97 62.06 3dwb h PHE 126 Cb 1.17 0.07 -0.10 0.00 2.56 0.00 0.00 35.95 39.66 3dwb h PHE 126 CO 0.00 0.20 0.03 0.77 -2.02 0.00 0.00 178.31 177.29 3dwb h SER 127 N -0.79 -0.20 -0.85 0.41 0.02 -1.94 0.65 113.55 110.85 3dwb h SER 127 Ca -0.02 0.14 0.09 0.00 -0.84 0.00 0.00 61.79 61.15 3dwb h SER 127 Cb 0.52 0.24 -0.06 0.00 0.14 0.00 0.00 62.40 63.24 3dwb h SER 127 CO 0.04 -0.08 0.55 0.22 -1.14 0.00 0.00 176.83 176.42 3dwb h TYR 128 N 0.15 0.90 0.00 3.45 3.20 -1.37 0.61 116.97 123.91 3dwb h TYR 128 Ca 0.32 0.02 -0.31 0.00 3.14 0.00 0.00 58.73 61.90 3dwb h TYR 128 Cb 0.51 -0.29 -0.05 0.00 1.54 0.00 0.00 36.73 38.43 3dwb h TYR 128 CO -0.33 0.43 -1.90 0.00 -1.64 0.00 0.00 178.16 174.72 3dwb n ALA 129 N -2.42 1.48 -0.03 1.82 0.00 -0.15 -0.74 120.51 120.47 3dwb n ALA 129 Ca 0.14 -0.92 0.00 0.00 0.00 0.00 0.00 53.44 52.66 3dwb n ALA 129 Cb 0.29 -0.67 0.00 0.00 0.00 0.00 0.00 19.45 19.07 3dwb n ALA 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dwb h GLY 131 N 0.00 0.28 1.04 0.00 0.00 0.31 0.36 103.07 105.06 3dwb h GLY 131 Ca 0.00 -0.10 -0.11 0.00 0.00 0.00 0.00 47.33 47.12 3dwb h GLY 131 CO 0.00 0.09 -0.16 -1.33 0.00 0.00 0.00 176.54 175.14 3dwb h GLY 132 N 0.25 0.96 0.36 4.60 0.00 -0.73 -2.50 103.07 106.01 3dwb h GLY 132 Ca 0.11 -0.83 -0.00 0.00 0.00 0.00 0.00 47.33 46.61 3dwb h GLY 132 CO -0.02 0.75 -0.00 -0.25 0.00 0.00 0.00 176.54 177.02 3dwb h TRP 133 N 0.71 0.01 -0.33 5.60 7.01 0.81 -1.96 115.95 127.80 3dwb h TRP 133 Ca 0.10 -0.00 0.03 0.00 2.11 0.00 0.00 58.89 61.13 3dwb h TRP 133 Cb 0.72 -0.00 -0.05 0.00 -2.10 0.00 0.00 29.16 27.73 3dwb h TRP 133 CO 0.05 0.65 -0.28 0.82 -2.79 0.00 0.00 178.44 176.89 3dwb h ILE 134 N -0.64 0.00 -0.90 2.65 2.04 -0.56 0.36 117.51 120.46 3dwb h ILE 134 Ca -0.00 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.94 3dwb h ILE 134 Cb 0.65 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.67 3dwb h ILE 134 CO 0.00 0.00 0.58 0.50 0.00 0.00 0.00 178.15 179.23 3dwb h LYS 135 N -0.11 0.93 0.27 2.37 3.64 -1.47 -2.94 116.57 119.26 3dwb h LYS 135 Ca 0.05 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 3dwb h LYS 135 Cb 0.25 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 3dwb h LYS 135 CO -0.37 0.62 -0.13 0.00 -2.27 0.00 0.00 179.45 177.30 3dwb h ALA 136 N 1.53 -0.36 -2.00 5.00 0.00 -1.02 -3.44 119.26 118.97 3dwb h ALA 136 Ca 0.40 -0.18 -0.58 0.00 0.00 0.00 0.00 54.91 54.56 3dwb h ALA 136 Cb 0.30 0.14 -0.07 0.00 0.00 0.00 0.00 17.79 18.16 3dwb h ALA 136 CO -0.16 -0.40 0.79 -0.80 0.00 0.00 0.00 179.25 178.68 3dwb s ASN 137 N -5.22 6.92 0.23 0.00 0.01 0.12 -5.03 114.94 111.97 3dwb s ASN 137 Ca -0.11 1.04 -0.05 0.00 -0.71 0.00 0.00 52.86 53.04 3dwb s ASN 137 Cb 0.01 -2.53 -0.06 0.00 0.41 0.00 0.00 41.25 39.08 3dwb s ASN 137 CO 0.37 -0.82 0.48 -2.16 -1.51 0.00 0.00 177.10 173.46 3dwb s PRO 138 N 3.52 3.64 -0.26 -0.60 0.04 -1.26 -4.73 135.00 135.34 3dwb s PRO 138 Ca 0.44 -0.02 -0.28 0.00 0.04 0.00 0.00 61.00 61.18 3dwb s PRO 138 Cb -0.13 -2.72 -0.04 0.00 0.04 0.00 0.00 34.50 31.65 3dwb s PRO 138 CO 0.14 0.32 2.05 0.08 0.04 0.00 0.00 177.00 179.63 3dwb s VAL 139 N -1.90 3.20 1.22 -0.36 1.01 -1.26 -4.96 120.40 117.35 3dwb s VAL 139 Ca 0.43 0.20 -0.20 0.00 0.00 0.00 0.00 61.98 62.41 3dwb s VAL 139 Cb -0.11 -3.27 0.32 0.00 0.00 0.00 0.00 36.38 33.32 3dwb s VAL 139 CO 0.27 -0.17 0.75 -2.65 0.00 0.00 0.00 175.10 173.30 3dwb n PRO 140 N 8.63 -4.31 0.17 2.72 -0.02 -1.26 -4.93 135.00 135.99 3dwb n PRO 140 Ca 0.27 -1.25 -0.08 0.00 -2.02 0.00 0.00 63.50 60.42 3dwb n PRO 140 Cb 0.46 -1.58 -0.04 0.00 -0.02 0.00 0.00 33.50 32.32 3dwb n PRO 140 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3dwb h ASP 141 N -3.31 -0.50 0.24 2.55 3.45 -2.06 -3.16 116.42 113.63 3dwb h ASP 141 Ca -0.33 0.03 0.00 0.00 0.43 0.00 0.00 57.03 57.16 3dwb h ASP 141 Cb 1.11 0.15 0.00 0.00 -0.56 0.00 0.00 39.33 40.03 3dwb h ASP 141 CO 0.20 -0.30 0.00 0.61 -1.57 0.00 0.00 179.24 178.18 3dwb n GLY 142 N -1.25 -0.83 3.42 2.75 0.00 -1.26 -4.82 105.19 103.20 3dwb n GLY 142 Ca -0.06 -0.10 -0.27 0.00 0.00 0.00 0.00 46.02 45.59 3dwb n GLY 142 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3dwb s HIS 143 N -2.38 2.29 0.00 1.61 3.76 -1.20 -5.04 115.29 114.33 3dwb s HIS 143 Ca 0.23 -0.36 0.00 0.00 -0.15 0.00 0.00 55.06 54.77 3dwb s HIS 143 Cb 0.13 -1.15 0.00 0.00 1.11 0.00 0.00 32.58 32.68 3dwb s HIS 143 CO 0.28 0.47 0.64 -1.13 -0.85 0.00 0.00 174.74 174.16 3dwb n SER 144 N 0.35 1.28 -3.40 1.40 3.41 -1.26 -4.50 113.62 110.90 3dwb n SER 144 Ca -0.13 -1.31 0.02 0.00 -0.26 0.00 0.00 58.87 57.19 3dwb n SER 144 Cb 0.56 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.47 3dwb n SER 144 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dwb s ARG 145 N -0.31 0.32 0.06 4.33 1.70 -1.26 -1.00 118.95 122.79 3dwb s ARG 145 Ca 0.00 0.78 0.01 0.00 -0.47 0.00 0.00 55.73 56.06 3dwb s ARG 145 Cb 0.00 0.47 -0.03 0.00 -0.57 0.00 0.00 34.95 34.82 3dwb s ARG 145 CO 0.00 -0.13 -0.06 -0.46 -1.08 0.00 0.00 175.30 173.57 3dwb s TRP 146 N 2.53 0.67 -1.64 5.89 -0.00 0.58 -4.88 118.94 122.09 3dwb s TRP 146 Ca -0.02 -0.68 0.00 0.00 -0.00 0.00 0.00 56.10 55.40 3dwb s TRP 146 Cb -0.07 -0.41 0.00 0.00 -0.00 0.00 0.00 33.47 32.99 3dwb s TRP 146 CO -0.17 -0.15 0.00 0.41 -0.00 0.00 0.00 176.95 177.04 3dwb n GLY 147 N 0.91 -0.72 0.22 5.86 0.00 -1.26 -1.02 105.19 109.19 3dwb n GLY 147 Ca -0.19 -0.40 -0.15 0.00 0.00 0.00 0.00 46.02 45.28 3dwb n GLY 147 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3dwb h THR 148 N 0.00 1.30 0.01 2.61 2.02 -1.74 -2.24 112.91 114.86 3dwb h THR 148 Ca 0.00 -1.70 -0.00 0.00 0.77 0.00 0.00 66.41 65.48 3dwb h THR 148 Cb 0.00 1.75 0.00 0.00 -1.74 0.00 0.00 68.15 68.16 3dwb h THR 148 CO 0.00 0.54 -0.01 -0.26 0.37 0.00 0.00 175.52 176.17 3dwb h PHE 149 N 0.51 -0.02 -0.69 3.16 -1.00 -1.93 -1.73 116.94 115.25 3dwb h PHE 149 Ca 0.01 -0.00 0.14 0.00 2.81 0.00 0.00 57.97 60.92 3dwb h PHE 149 Cb 1.11 0.01 -0.13 0.00 3.61 0.00 0.00 35.95 40.54 3dwb h PHE 149 CO 0.08 0.65 -0.19 0.77 -1.61 0.00 0.00 178.31 178.01 3dwb h SER 150 N -0.71 -0.70 0.07 2.17 0.02 -1.90 -2.20 113.55 110.31 3dwb h SER 150 Ca -0.00 0.21 -0.00 0.00 -0.84 0.00 0.00 61.79 61.16 3dwb h SER 150 Cb 0.67 0.45 0.00 0.00 0.14 0.00 0.00 62.40 63.66 3dwb h SER 150 CO 0.00 -0.24 -0.03 -1.13 -1.14 0.00 0.00 176.83 174.29 3dwb h ASN 151 N -0.02 -0.08 -0.14 3.07 -1.24 -1.27 -3.08 115.58 112.83 3dwb h ASN 151 Ca 0.33 -0.11 -0.14 0.00 0.71 0.00 0.00 56.30 57.08 3dwb h ASN 151 Cb 0.51 0.02 -0.01 0.00 0.73 0.00 0.00 38.32 39.58 3dwb h ASN 151 CO -0.71 0.06 -0.42 0.25 -1.29 0.00 0.00 177.43 175.32 3dwb h LEU 152 N -0.22 0.72 -0.55 0.34 6.46 -1.20 -2.71 115.31 118.15 3dwb h LEU 152 Ca -0.01 -0.33 0.09 0.00 -0.12 0.00 0.00 57.88 57.51 3dwb h LEU 152 Cb 0.19 -0.20 -0.07 0.00 -0.73 0.00 0.00 40.66 39.84 3dwb h LEU 152 CO 0.02 1.05 0.15 -0.25 -0.62 0.00 0.00 178.44 178.78 3dwb h TRP 153 N 0.55 0.25 -0.16 1.25 -0.00 -1.40 -1.59 115.95 114.84 3dwb h TRP 153 Ca 0.04 0.03 -0.13 0.00 -0.00 0.00 0.00 58.89 58.83 3dwb h TRP 153 Cb 0.95 -0.03 -0.01 0.00 -0.00 0.00 0.00 29.16 30.07 3dwb h TRP 153 CO 0.05 0.03 -0.47 0.93 -0.00 0.00 0.00 178.44 178.98 3dwb h GLU 154 N 0.30 0.41 -0.50 2.65 4.39 -1.43 -1.58 114.58 118.83 3dwb h GLU 154 Ca 0.28 -0.23 0.04 0.00 0.34 0.00 0.00 59.36 59.79 3dwb h GLU 154 Cb 0.36 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 28.98 3dwb h GLU 154 CO -0.32 0.80 0.26 1.25 -1.16 0.00 0.00 179.01 179.83 3dwb h HIS 155 N 0.33 0.47 -0.04 4.33 -0.00 -1.12 -2.95 115.15 116.18 3dwb h HIS 155 Ca 0.02 0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 60.41 3dwb h HIS 155 Cb 0.95 -0.14 -0.00 0.00 -0.00 0.00 0.00 27.41 28.22 3dwb h HIS 155 CO 0.03 0.24 0.02 -0.91 -0.00 0.00 0.00 177.93 177.31 3dwb h ASN 156 N 0.50 0.05 -0.51 3.26 2.35 -0.94 -3.10 115.58 117.19 3dwb h ASN 156 Ca 0.22 -0.05 0.09 0.00 -0.55 0.00 0.00 56.30 56.01 3dwb h ASN 156 Cb 0.11 -0.01 -0.10 0.00 0.05 0.00 0.00 38.32 38.37 3dwb h ASN 156 CO -0.14 0.09 -0.34 1.56 -1.65 0.00 0.00 177.43 176.94 3dwb h GLN 157 N 0.00 -0.20 -0.28 0.81 4.20 -1.24 0.16 115.11 118.57 3dwb h GLN 157 Ca 0.01 0.01 0.08 0.00 0.06 0.00 0.00 58.65 58.82 3dwb h GLN 157 Cb 0.05 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 3dwb h GLN 157 CO -0.00 -0.13 0.27 0.00 -0.67 0.00 0.00 178.83 178.30 3dwb h ALA 158 N 0.85 2.00 0.01 3.87 0.00 -1.48 0.31 119.26 124.82 3dwb h ALA 158 Ca 0.20 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.90 3dwb h ALA 158 Cb 0.55 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 3dwb h ALA 158 CO -0.62 -0.42 -0.94 0.82 0.00 0.00 0.00 179.25 178.09 3dwb h ILE 159 N 0.00 1.63 0.00 0.00 2.04 -0.65 -3.26 117.51 117.26 3dwb h ILE 159 Ca 0.13 -3.09 -0.09 0.00 1.00 0.00 0.00 64.86 62.81 3dwb h ILE 159 Cb 0.68 2.70 -0.01 0.00 -0.74 0.00 0.00 36.82 39.44 3dwb h ILE 159 CO -0.00 0.89 -0.42 0.40 0.00 0.00 0.00 178.15 179.01 3dwb h ILE 160 N 0.02 1.05 0.41 -0.67 2.04 0.69 -2.77 117.51 118.28 3dwb h ILE 160 Ca -0.02 -1.60 -0.02 0.00 1.00 0.00 0.00 64.86 64.21 3dwb h ILE 160 Cb 1.65 1.93 0.00 0.00 -0.74 0.00 0.00 36.82 39.66 3dwb h ILE 160 CO 0.13 0.42 -0.20 0.11 0.00 0.00 0.00 178.15 178.61 3dwb h LYS 161 N 0.00 -0.53 -0.26 2.37 1.57 -1.47 -0.34 116.57 117.90 3dwb h LYS 161 Ca -0.00 0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.75 3dwb h LYS 161 Cb 0.90 0.12 -0.02 0.00 0.08 0.00 0.00 32.23 33.32 3dwb h LYS 161 CO 0.06 -0.31 -0.10 0.45 -0.57 0.00 0.00 179.45 178.97 3dwb h HIS 162 N -0.63 0.45 -0.04 -1.35 3.86 -1.67 0.27 115.15 116.04 3dwb h HIS 162 Ca -0.06 -0.06 -0.00 0.00 -1.16 0.00 0.00 60.37 59.09 3dwb h HIS 162 Cb 0.47 -0.12 -0.00 0.00 1.06 0.00 0.00 27.41 28.81 3dwb h HIS 162 CO -0.03 0.52 0.01 -0.07 0.86 0.00 0.00 177.93 179.23 3dwb h LEU 163 N 0.40 0.06 -0.54 2.43 3.38 -1.45 -3.30 115.31 116.28 3dwb h LEU 163 Ca 0.08 -0.20 -0.15 0.00 0.09 0.00 0.00 57.88 57.70 3dwb h LEU 163 Cb 0.43 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 3dwb h LEU 163 CO 0.02 0.24 -0.43 -0.07 0.09 0.00 0.00 178.44 178.30 3dwb h LEU 164 N -0.13 0.76 -5.88 1.67 3.38 -0.39 -3.29 115.31 111.43 3dwb h LEU 164 Ca 0.01 -0.35 -0.72 0.00 0.09 0.00 0.00 57.88 56.91 3dwb h LEU 164 Cb 0.21 -0.21 -0.07 0.00 0.09 0.00 0.00 40.66 40.67 3dwb h LEU 164 CO -0.00 1.08 2.88 -0.62 0.09 0.00 0.00 178.44 181.87 3dwb n GLU 165 N -4.03 3.46 -2.89 1.13 1.02 0.90 -4.76 120.64 115.47 3dwb n GLU 165 Ca -0.02 -2.89 -0.28 0.00 -0.02 0.00 0.00 57.16 53.95 3dwb n GLU 165 Cb 0.55 -3.01 -0.01 0.00 -0.02 0.00 0.00 31.44 28.94 3dwb n GLU 165 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 3dwb s ASN 166 N 1.98 6.34 -0.18 1.62 2.47 -1.24 -4.86 114.94 121.07 3dwb s ASN 166 Ca 0.50 0.86 -0.00 0.00 0.42 0.00 0.00 52.86 54.64 3dwb s ASN 166 Cb 0.14 -2.21 -0.11 0.00 -1.45 0.00 0.00 41.25 37.61 3dwb s ASN 166 CO -0.06 -0.45 -0.17 -1.54 -3.72 0.00 0.00 177.10 171.16 3dwb n SER 167 N -1.81 2.40 0.06 -4.21 3.41 -1.26 -4.73 113.62 107.47 3dwb n SER 167 Ca -0.00 -0.04 0.05 0.00 -0.26 0.00 0.00 58.87 58.62 3dwb n SER 167 Cb 0.55 -0.33 0.26 0.00 -0.26 0.00 0.00 64.21 64.43 3dwb n SER 167 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3dwb n THR 168 N -3.16 1.47 -4.41 6.66 -2.24 -1.26 -4.83 114.28 106.51 3dwb n THR 168 Ca -0.33 0.51 -0.39 0.00 -2.27 0.00 0.00 64.05 61.57 3dwb n THR 168 Cb 0.83 -1.46 -0.07 0.00 -2.10 0.00 0.00 70.33 67.53 3dwb n THR 168 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3dwb n ALA 169 N -1.61 -1.36 -1.92 6.98 0.00 -1.26 -4.81 120.51 116.53 3dwb n ALA 169 Ca 0.00 -0.18 -0.37 0.00 0.00 0.00 0.00 53.44 52.89 3dwb n ALA 169 Cb 0.06 -2.52 0.04 0.00 0.00 0.00 0.00 19.45 17.03 3dwb n ALA 169 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3dwb n SER 170 N -2.59 7.08 -4.12 0.00 3.41 -1.26 -4.94 113.62 111.20 3dwb n SER 170 Ca 0.03 -3.81 -0.10 0.00 -0.26 0.00 0.00 58.87 54.73 3dwb n SER 170 Cb 0.50 -0.95 -0.09 0.00 -0.26 0.00 0.00 64.21 63.42 3dwb n SER 170 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 3dwb s VAL 171 N -5.10 0.05 0.80 -3.33 -7.23 -1.26 -5.14 120.40 99.20 3dwb s VAL 171 Ca 0.53 -1.80 -0.12 0.00 -1.81 0.00 0.00 61.98 58.79 3dwb s VAL 171 Cb 0.44 -2.16 0.07 0.00 0.56 0.00 0.00 36.38 35.29 3dwb s VAL 171 CO -0.31 -0.24 1.12 -0.94 -0.31 0.00 0.00 175.10 174.41 3dwb s SER 172 N -3.07 4.51 0.17 4.85 1.04 -1.26 -4.57 113.70 115.36 3dwb s SER 172 Ca 0.27 1.12 -0.28 0.00 0.48 0.00 0.00 55.95 57.54 3dwb s SER 172 Cb 0.06 -1.80 -0.00 0.00 0.10 0.00 0.00 66.02 64.38 3dwb s SER 172 CO 0.05 -1.94 1.55 -0.33 0.98 0.00 0.00 173.24 173.55 3dwb h GLU 173 N -1.07 -0.13 -0.21 4.02 5.08 -1.96 2.18 114.58 122.48 3dwb h GLU 173 Ca -0.47 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 3dwb h GLU 173 Cb 1.29 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.56 3dwb h GLU 173 CO 0.62 -0.09 0.14 0.00 -1.00 0.00 0.00 179.01 178.68 3dwb h ALA 174 N 0.56 0.27 -0.59 3.43 0.00 -1.90 0.71 119.26 121.74 3dwb h ALA 174 Ca 0.18 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 3dwb h ALA 174 Cb 0.52 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3dwb h ALA 174 CO -0.81 -0.25 0.18 0.93 0.00 0.00 0.00 179.25 179.30 3dwb h GLU 175 N 0.28 0.91 -0.55 0.00 5.08 -1.47 -2.33 114.58 116.50 3dwb h GLU 175 Ca 0.08 -0.20 0.03 0.00 -1.00 0.00 0.00 59.36 58.27 3dwb h GLU 175 Cb -0.02 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.07 3dwb h GLU 175 CO -0.02 0.82 0.36 -0.09 -1.00 0.00 0.00 179.01 179.09 3dwb h ARG 176 N 0.83 0.61 -0.06 2.33 2.43 0.48 -2.55 114.38 118.45 3dwb h ARG 176 Ca 0.19 -0.04 -0.12 0.00 -0.81 0.00 0.00 59.98 59.20 3dwb h ARG 176 Cb 0.29 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 3dwb h ARG 176 CO -0.01 0.40 -0.50 0.87 -1.51 0.00 0.00 179.97 179.22 3dwb h LYS 177 N 0.63 0.16 -0.32 0.20 1.57 0.93 -2.01 116.57 117.72 3dwb h LYS 177 Ca 0.22 -0.09 -0.15 0.00 -1.87 0.00 0.00 60.65 58.76 3dwb h LYS 177 Cb 0.10 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.42 3dwb h LYS 177 CO -0.06 0.63 -0.40 0.00 -0.57 0.00 0.00 179.45 179.05 3dwb h ALA 178 N 1.36 0.48 -0.44 3.86 0.00 -1.16 0.80 119.26 124.16 3dwb h ALA 178 Ca 0.00 -0.46 0.05 0.00 0.00 0.00 0.00 54.91 54.51 3dwb h ALA 178 Cb 0.93 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.58 3dwb h ALA 178 CO 0.07 0.59 0.18 1.96 0.00 0.00 0.00 179.25 182.05 3dwb h GLN 179 N 0.61 0.35 -0.31 0.00 4.20 -1.34 1.00 115.11 119.62 3dwb h GLN 179 Ca 0.04 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.71 3dwb h GLN 179 Cb 1.00 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.68 3dwb h GLN 179 CO 0.10 0.23 0.11 0.28 -0.67 0.00 0.00 178.83 178.88 3dwb h VAL 180 N 0.36 1.19 -0.87 -0.54 2.07 -1.26 0.01 116.25 117.21 3dwb h VAL 180 Ca 0.20 -0.61 0.09 0.00 0.82 0.00 0.00 66.70 67.20 3dwb h VAL 180 Cb 0.17 1.01 -0.06 0.00 -1.52 0.00 0.00 31.29 30.89 3dwb h VAL 180 CO -0.19 0.21 0.56 0.22 0.02 0.00 0.00 177.57 178.39 3dwb h TYR 181 N 0.35 0.92 0.37 1.57 3.20 -0.56 -0.20 116.97 122.62 3dwb h TYR 181 Ca 0.10 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.98 3dwb h TYR 181 Cb 0.22 -0.30 0.00 0.00 1.54 0.00 0.00 36.73 38.19 3dwb h TYR 181 CO 0.00 0.43 -0.18 -0.92 -1.64 0.00 0.00 178.16 175.85 3dwb h TYR 182 N 0.86 -0.47 -0.57 -3.82 3.20 -0.37 -2.62 116.97 113.19 3dwb h TYR 182 Ca 0.40 -0.01 0.11 0.00 3.14 0.00 0.00 58.73 62.37 3dwb h TYR 182 Cb 0.39 0.15 -0.11 0.00 1.54 0.00 0.00 36.73 38.70 3dwb h TYR 182 CO -0.00 -0.25 -0.18 0.00 -1.64 0.00 0.00 178.16 176.09 3dwb h ARG 183 N -1.11 -0.04 -0.73 1.82 3.08 -0.98 -0.05 114.38 116.38 3dwb h ARG 183 Ca -0.05 0.00 0.14 0.00 0.07 0.00 0.00 59.98 60.14 3dwb h ARG 183 Cb 0.43 0.01 -0.09 0.00 0.08 0.00 0.00 29.97 30.40 3dwb h ARG 183 CO 0.08 -0.03 0.27 0.00 -1.07 0.00 0.00 179.97 179.23 3dwb h ALA 184 N 1.47 1.00 0.01 0.04 0.00 -1.05 0.16 119.26 120.89 3dwb h ALA 184 Ca 0.27 0.12 -0.19 0.00 0.00 0.00 0.00 54.91 55.11 3dwb h ALA 184 Cb 0.45 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 3dwb h ALA 184 CO -0.61 -0.22 -0.89 0.00 0.00 0.00 0.00 179.25 177.53 3dwb h MET 186 N 0.04 0.00 -5.95 0.00 2.07 0.11 -3.37 114.93 107.82 3dwb h MET 186 Ca -0.03 0.00 -0.49 0.00 -2.07 0.00 0.00 59.70 57.11 3dwb h MET 186 Cb 1.54 0.00 -0.08 0.00 -1.87 0.00 0.00 31.60 31.19 3dwb h MET 186 CO 0.12 0.29 1.25 1.21 1.07 0.00 0.00 176.91 180.86 3dwb s ASN 187 N -6.29 6.01 0.00 1.22 2.47 0.45 -4.70 114.94 114.10 3dwb s ASN 187 Ca 0.01 -1.22 0.19 0.00 0.42 0.00 0.00 52.86 52.26 3dwb s ASN 187 Cb 0.10 -2.57 -0.07 0.00 -1.45 0.00 0.00 41.25 37.26 3dwb s ASN 187 CO 0.66 -1.96 0.91 -1.84 -3.72 0.00 0.00 177.10 171.16 3dwb n GLU 188 N 8.85 1.29 -0.27 0.43 0.28 -1.26 -3.37 120.64 126.59 3dwb n GLU 188 Ca 0.36 -0.63 0.01 0.00 -0.16 0.00 0.00 57.16 56.75 3dwb n GLU 188 Cb 0.49 -1.37 0.22 0.00 1.43 0.00 0.00 31.44 32.21 3dwb n GLU 188 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 177.13 178.12 3dwb h THR 189 N 1.47 1.16 -0.17 3.84 2.02 -1.96 -1.88 112.91 117.39 3dwb h THR 189 Ca 0.00 -0.37 -0.17 0.00 0.77 0.00 0.00 66.41 66.64 3dwb h THR 189 Cb 0.59 -0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 66.98 3dwb h THR 189 CO 0.00 0.20 -0.58 -0.09 0.37 0.00 0.00 175.52 175.42 3dwb h ARG 190 N 1.08 0.55 -0.01 6.66 9.65 -1.94 -3.09 114.38 127.28 3dwb h ARG 190 Ca 0.33 -0.36 -0.16 0.00 -1.10 0.00 0.00 59.98 58.69 3dwb h ARG 190 Cb -0.02 0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 28.59 3dwb h ARG 190 CO -0.09 0.97 -0.72 0.82 2.80 0.00 0.00 179.97 183.76 3dwb h ILE 191 N 0.41 1.48 0.00 1.20 2.04 -1.52 -2.40 117.51 118.72 3dwb h ILE 191 Ca 0.00 -2.37 -0.04 0.00 1.00 0.00 0.00 64.86 63.45 3dwb h ILE 191 Cb 1.13 2.28 -0.01 0.00 -0.74 0.00 0.00 36.82 39.48 3dwb h ILE 191 CO 0.11 0.68 -0.20 -0.33 0.00 0.00 0.00 178.15 178.41 3dwb h GLU 192 N 0.05 0.00 0.00 2.37 4.39 -1.42 -2.97 114.58 117.00 3dwb h GLU 192 Ca -0.01 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.64 3dwb h GLU 192 Cb 1.27 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.91 3dwb h GLU 192 CO 0.10 0.20 -0.21 1.49 -1.16 0.00 0.00 179.01 179.42 3dwb h GLU 193 N 0.00 0.00 0.03 2.33 4.81 -1.36 -3.33 114.58 117.06 3dwb h GLU 193 Ca -0.00 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 58.91 3dwb h GLU 193 Cb 0.92 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.25 3dwb h GLU 193 CO 0.03 0.21 -1.82 1.28 -0.73 0.00 0.00 179.01 177.97 3dwb n LEU 194 N -3.17 1.21 0.00 1.64 4.77 -0.95 -5.06 117.00 115.44 3dwb n LEU 194 Ca 0.03 0.34 0.00 0.00 -0.03 0.00 0.00 56.01 56.35 3dwb n LEU 194 Cb 0.59 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 3dwb n LEU 194 CO 0.36 0.50 0.00 0.54 -1.33 0.00 0.00 177.39 177.46 3dwb n ARG 195 N -3.12 0.00 0.15 3.23 1.74 -1.13 -2.52 116.66 115.01 3dwb n ARG 195 Ca -0.21 0.00 0.13 0.00 -0.77 0.00 0.00 57.85 56.99 3dwb n ARG 195 Cb 1.06 0.00 0.51 0.00 -1.02 0.00 0.00 32.46 33.01 3dwb n ARG 195 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3dwb h ALA 196 N -0.65 1.00 -0.98 7.54 0.00 -1.92 -3.36 119.26 120.89 3dwb h ALA 196 Ca 0.00 0.00 0.27 0.00 0.00 0.00 0.00 54.91 55.18 3dwb h ALA 196 Cb 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 17.79 17.61 3dwb h ALA 196 CO 0.00 0.00 0.03 0.87 0.00 0.00 0.00 179.25 180.15 3dwb h LYS 197 N 0.00 0.01 0.19 0.00 1.57 -1.86 0.69 116.57 117.17 3dwb h LYS 197 Ca 0.00 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3dwb h LYS 197 Cb 0.40 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.71 3dwb h LYS 197 CO 0.00 0.01 -0.12 -1.35 -0.57 0.00 0.00 179.45 177.42 3dwb h PRO 198 N 0.01 -0.29 -0.03 3.15 0.11 -1.76 0.80 132.00 133.99 3dwb h PRO 198 Ca 0.60 0.02 -0.08 0.00 0.11 0.00 0.00 66.00 66.65 3dwb h PRO 198 Cb 1.22 0.07 0.01 0.00 0.11 0.00 0.00 31.00 32.40 3dwb h PRO 198 CO -0.91 -0.19 -0.29 1.25 -0.21 0.00 0.00 178.00 177.65 3dwb h LEU 199 N -0.30 0.30 -1.46 2.35 6.46 -1.62 -1.04 115.31 119.99 3dwb h LEU 199 Ca -0.02 -0.72 0.19 0.00 -0.12 0.00 0.00 57.88 57.22 3dwb h LEU 199 Cb 0.25 -0.09 -0.07 0.00 -0.73 0.00 0.00 40.66 40.02 3dwb h LEU 199 CO 0.02 0.97 0.59 -0.03 -0.62 0.00 0.00 178.44 179.37 3dwb h MET 200 N -0.35 0.45 0.32 1.25 4.05 0.38 -1.44 114.93 119.58 3dwb h MET 200 Ca -0.03 -0.03 -0.02 0.00 -0.28 0.00 0.00 59.70 59.35 3dwb h MET 200 Cb 0.99 -0.10 0.00 0.00 -0.80 0.00 0.00 31.60 31.69 3dwb h MET 200 CO 0.06 0.30 -0.15 0.93 0.23 0.00 0.00 176.91 178.27 3dwb h GLU 201 N 0.46 -0.41 -0.93 0.39 5.08 0.70 -3.37 114.58 116.50 3dwb h GLU 201 Ca 0.46 0.03 0.18 0.00 -1.00 0.00 0.00 59.36 59.04 3dwb h GLU 201 Cb 1.07 0.09 -0.18 0.00 0.50 0.00 0.00 28.75 30.24 3dwb h GLU 201 CO -0.19 -0.11 -0.24 1.25 -1.00 0.00 0.00 179.01 178.73 3dwb h LEU 202 N -0.99 -0.87 -0.94 1.33 5.85 -0.72 -0.36 115.31 118.61 3dwb h LEU 202 Ca -0.04 0.28 0.28 0.00 0.84 0.00 0.00 57.88 59.23 3dwb h LEU 202 Cb 0.49 0.58 -0.15 0.00 0.37 0.00 0.00 40.66 41.95 3dwb h LEU 202 CO 0.07 -0.31 0.35 -0.29 -0.34 0.00 0.00 178.44 177.93 3dwb h ILE 203 N -0.00 0.27 0.12 4.05 2.10 -1.44 -2.55 117.51 120.07 3dwb h ILE 203 Ca 0.44 -0.08 -0.27 0.00 1.08 0.00 0.00 64.86 66.03 3dwb h ILE 203 Cb 0.68 0.03 0.01 0.00 -1.09 0.00 0.00 36.82 36.44 3dwb h ILE 203 CO -0.95 0.04 -1.22 -0.33 -1.08 0.00 0.00 178.15 174.60 3dwb h GLU 204 N 0.23 0.32 -0.72 2.19 4.39 -1.23 0.13 114.58 119.89 3dwb h GLU 204 Ca 0.63 -0.51 0.16 0.00 0.34 0.00 0.00 59.36 59.98 3dwb h GLU 204 Cb 1.37 0.18 -0.04 0.00 -0.10 0.00 0.00 28.75 30.16 3dwb h GLU 204 CO -0.66 1.23 0.49 -0.09 -1.16 0.00 0.00 179.01 178.81 3dwb h ARG 205 N 0.11 0.28 0.00 2.33 9.65 -1.37 0.34 114.38 125.72 3dwb h ARG 205 Ca -0.14 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.72 3dwb h ARG 205 Cb 1.93 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 30.45 3dwb h ARG 205 CO 0.21 0.19 -0.14 -0.07 2.80 0.00 0.00 179.97 182.95 3dwb h LEU 206 N 0.29 0.00 0.00 3.80 3.38 -0.85 -3.47 115.31 118.46 3dwb h LEU 206 Ca 0.35 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.29 3dwb h LEU 206 Cb 0.96 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.71 3dwb h LEU 206 CO -0.09 0.01 0.00 0.61 0.09 0.00 0.00 178.44 179.07 3dwb n GLY 207 N 1.24 1.22 5.78 0.83 0.00 0.12 -4.92 105.19 109.47 3dwb n GLY 207 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3dwb n GLY 207 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dwb n GLY 208 N -0.34 -2.07 3.42 -0.02 0.00 0.31 -4.92 105.19 101.56 3dwb n GLY 208 Ca 0.00 -1.42 -0.15 0.00 0.00 0.00 0.00 46.02 44.45 3dwb n GLY 208 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3dwb s TRP 209 N -0.19 -0.48 -0.07 1.61 1.48 -1.25 -4.94 118.94 115.10 3dwb s TRP 209 Ca 0.00 0.64 0.09 0.00 -1.06 0.00 0.00 56.10 55.77 3dwb s TRP 209 Cb 0.00 0.35 0.49 0.00 -1.16 0.00 0.00 33.47 33.15 3dwb s TRP 209 CO 0.00 -0.62 1.13 -1.71 -4.06 0.00 0.00 176.95 171.69 3dwb n ASN 210 N 0.60 0.23 0.24 -2.66 2.85 -1.25 0.17 115.26 115.44 3dwb n ASN 210 Ca -0.19 0.46 0.16 0.00 -0.11 0.00 0.00 54.58 54.90 3dwb n ASN 210 Cb 0.59 -0.40 0.58 0.00 1.24 0.00 0.00 39.78 41.78 3dwb n ASN 210 CO 0.00 0.00 0.00 0.40 -2.11 0.00 0.00 177.26 175.55 3dwb h ILE 211 N 0.00 0.00 -2.12 -1.44 2.04 -1.95 -3.41 117.51 110.64 3dwb h ILE 211 Ca 0.00 -0.52 -0.34 0.00 1.00 0.00 0.00 64.86 65.00 3dwb h ILE 211 Cb 0.65 1.47 -0.33 0.00 -0.74 0.00 0.00 36.82 37.87 3dwb h ILE 211 CO 0.00 0.00 -0.65 0.42 0.00 0.00 0.00 178.15 177.92 3dwb s THR 212 N -3.53 -0.38 0.00 -0.27 -4.23 0.44 -4.24 115.64 103.43 3dwb s THR 212 Ca 0.03 -0.59 0.00 0.00 -1.18 0.00 0.00 61.69 59.95 3dwb s THR 212 Cb 0.09 -0.94 0.00 0.00 1.34 0.00 0.00 72.50 72.99 3dwb s THR 212 CO 0.53 -0.49 0.00 0.61 -0.54 0.00 0.00 174.62 174.73 3dwb n GLY 213 N 5.12 -0.29 3.80 3.99 0.00 -1.26 -3.87 105.19 112.69 3dwb n GLY 213 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 3dwb n GLY 213 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3dwb s PRO 214 N 0.00 2.64 -0.20 1.61 0.04 -1.26 -3.94 135.00 133.89 3dwb s PRO 214 Ca 0.00 0.98 -0.11 0.00 0.04 0.00 0.00 61.00 61.91 3dwb s PRO 214 Cb 0.00 -1.95 0.06 0.00 0.04 0.00 0.00 34.50 32.65 3dwb s PRO 214 CO 0.00 -1.32 0.48 -0.46 0.04 0.00 0.00 177.00 175.74 3dwb s TRP 215 N -3.02 -0.72 -0.33 0.56 -0.00 -1.26 -4.60 118.94 109.57 3dwb s TRP 215 Ca 0.59 1.50 0.04 0.00 -0.00 0.00 0.00 56.10 58.23 3dwb s TRP 215 Cb -0.15 0.36 0.19 0.00 -0.00 0.00 0.00 33.47 33.87 3dwb s TRP 215 CO 0.55 -0.39 0.68 0.00 -0.00 0.00 0.00 176.95 177.79 3dwb s ALA 216 N 1.46 -2.70 0.00 5.86 0.00 -1.26 -4.88 121.76 120.24 3dwb s ALA 216 Ca -0.10 0.85 -0.11 0.00 0.00 0.00 0.00 51.96 52.60 3dwb s ALA 216 Cb -0.07 -2.66 0.01 0.00 0.00 0.00 0.00 23.12 20.40 3dwb s ALA 216 CO -0.15 -2.02 0.23 0.15 0.00 0.00 0.00 175.76 173.98 3dwb s LYS 217 N 2.49 0.62 -1.27 0.00 1.02 -1.26 -5.07 119.74 116.27 3dwb s LYS 217 Ca 0.14 -0.36 -0.05 0.00 0.02 0.00 0.00 55.97 55.73 3dwb s LYS 217 Cb -0.06 0.27 0.14 0.00 -0.52 0.00 0.00 37.83 37.65 3dwb s LYS 217 CO -0.19 -0.17 2.33 -3.47 -0.92 0.00 0.00 175.35 172.93 3dwb n ASP 218 N 1.19 7.95 -0.66 2.83 4.64 -1.26 -4.72 116.55 126.51 3dwb n ASP 218 Ca -0.21 -3.21 0.06 0.00 -1.38 0.00 0.00 54.79 50.05 3dwb n ASP 218 Cb 0.56 -1.34 0.20 0.00 -1.04 0.00 0.00 41.12 39.51 3dwb n ASP 218 CO 0.00 0.00 0.00 -0.46 -0.82 0.00 0.00 177.20 175.92 3dwb n ASN 219 N 1.49 1.66 0.19 1.67 6.94 -1.26 -4.92 115.26 121.03 3dwb n ASN 219 Ca 0.61 -3.77 -0.08 0.00 -0.02 0.00 0.00 54.58 51.31 3dwb n ASN 219 Cb 0.25 -0.51 -0.04 0.00 -2.36 0.00 0.00 39.78 37.12 3dwb n ASN 219 CO 0.00 0.00 0.00 0.15 -1.03 0.00 0.00 177.26 176.38 3dwb h PHE 220 N 1.00 -0.48 0.00 -2.53 3.04 -1.99 -1.51 116.94 114.47 3dwb h PHE 220 Ca -0.02 -0.01 -0.04 0.00 3.98 0.00 0.00 57.97 61.88 3dwb h PHE 220 Cb 1.06 0.16 -0.01 0.00 2.56 0.00 0.00 35.95 39.73 3dwb h PHE 220 CO 0.72 -0.30 -0.20 0.37 -2.02 0.00 0.00 178.31 176.88 3dwb h GLN 221 N -0.82 0.00 0.45 1.11 4.15 -1.97 0.73 115.11 118.76 3dwb h GLN 221 Ca -0.05 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.35 3dwb h GLN 221 Cb 0.40 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.09 3dwb h GLN 221 CO 0.09 0.20 -0.22 -0.44 -1.93 0.00 0.00 178.83 176.53 3dwb h ASP 222 N 0.00 -0.51 0.58 -0.69 3.45 -1.94 0.53 116.42 117.85 3dwb h ASP 222 Ca -0.00 -0.05 -0.09 0.00 0.43 0.00 0.00 57.03 57.32 3dwb h ASP 222 Cb 0.54 0.13 -0.01 0.00 -0.56 0.00 0.00 39.33 39.43 3dwb h ASP 222 CO 0.03 -0.25 -0.42 0.71 -1.57 0.00 0.00 179.24 177.73 3dwb h THR 223 N -0.75 1.14 -0.13 0.35 1.35 -1.02 -1.42 112.91 112.44 3dwb h THR 223 Ca -0.06 -1.52 -0.01 0.00 -0.55 0.00 0.00 66.41 64.26 3dwb h THR 223 Cb 0.53 1.86 -0.01 0.00 -1.73 0.00 0.00 68.15 68.81 3dwb h THR 223 CO 0.10 0.41 0.03 0.25 -0.25 0.00 0.00 175.52 176.07 3dwb h LEU 224 N 0.00 0.19 -0.61 3.87 6.46 -0.71 -1.82 115.31 122.69 3dwb h LEU 224 Ca -0.00 -0.22 0.01 0.00 -0.12 0.00 0.00 57.88 57.54 3dwb h LEU 224 Cb 0.83 -0.05 -0.03 0.00 -0.73 0.00 0.00 40.66 40.67 3dwb h LEU 224 CO 0.05 0.36 0.40 1.56 -0.62 0.00 0.00 178.44 180.19 3dwb h GLN 225 N 0.01 0.78 0.39 1.25 4.20 0.41 -2.77 115.11 119.37 3dwb h GLN 225 Ca 0.04 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.68 3dwb h GLN 225 Cb 0.25 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 27.85 3dwb h GLN 225 CO 0.00 0.52 -0.19 0.28 -0.67 0.00 0.00 178.83 178.77 3dwb h VAL 226 N 0.80 0.62 0.00 -0.54 2.07 -1.12 -1.92 116.25 116.16 3dwb h VAL 226 Ca 0.23 -0.27 -0.03 0.00 0.82 0.00 0.00 66.70 67.45 3dwb h VAL 226 Cb -0.07 0.75 -0.00 0.00 -1.52 0.00 0.00 31.29 30.45 3dwb h VAL 226 CO -0.06 0.05 -0.14 -0.37 0.02 0.00 0.00 177.57 177.07 3dwb h VAL 227 N -0.68 1.09 0.18 2.57 -1.51 -1.33 0.31 116.25 116.89 3dwb h VAL 227 Ca -0.05 -0.49 -0.30 0.00 -1.23 0.00 0.00 66.70 64.63 3dwb h VAL 227 Cb 0.49 1.26 0.02 0.00 -2.13 0.00 0.00 31.29 30.93 3dwb h VAL 227 CO 0.09 0.14 -1.34 0.00 -1.23 0.00 0.00 177.57 175.22 3dwb h THR 228 N 0.00 1.40 0.00 7.19 1.03 -1.37 -0.68 112.91 120.48 3dwb h THR 228 Ca -0.00 -2.88 -0.21 0.00 -0.01 0.00 0.00 66.41 63.31 3dwb h THR 228 Cb 0.25 2.97 -0.04 0.00 -1.07 0.00 0.00 68.15 70.27 3dwb h THR 228 CO 0.02 0.85 -1.86 0.00 -0.01 0.00 0.00 175.52 174.52 3dwb n ALA 229 N -2.62 1.92 -0.12 0.00 0.00 -0.73 -3.26 120.51 115.70 3dwb n ALA 229 Ca -0.12 -0.81 -0.17 0.00 0.00 0.00 0.00 53.44 52.34 3dwb n ALA 229 Cb 1.06 -0.66 -0.12 0.00 0.00 0.00 0.00 19.45 19.73 3dwb n ALA 229 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3dwb n HIS 230 N -2.74 0.00 -0.47 0.00 8.25 0.11 -4.55 115.22 115.83 3dwb n HIS 230 Ca -0.17 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.35 3dwb n HIS 230 Cb 0.91 -0.97 0.17 0.00 1.12 0.00 0.00 29.99 31.23 3dwb n HIS 230 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3dwb n TYR 231 N -3.18 0.56 -3.82 4.41 4.01 -1.13 -1.74 117.16 116.27 3dwb n TYR 231 Ca -0.43 -0.65 -0.29 0.00 -0.16 0.00 0.00 57.90 56.37 3dwb n TYR 231 Cb 0.99 -0.13 0.03 0.00 -0.31 0.00 0.00 39.34 39.93 3dwb n TYR 231 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 3dwb n ARG 232 N 0.00 -5.76 -3.76 -0.72 3.00 -0.79 -4.90 116.66 103.73 3dwb n ARG 232 Ca 0.14 0.63 -0.20 0.00 -0.00 0.00 0.00 57.85 58.42 3dwb n ARG 232 Cb 0.57 -5.54 -0.02 0.00 0.00 0.00 0.00 32.46 27.47 3dwb n ARG 232 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 3dwb s THR 233 N -3.28 4.17 -0.40 5.15 2.01 -0.33 -5.00 115.64 117.96 3dwb s THR 233 Ca 0.64 -1.17 0.09 0.00 0.31 0.00 0.00 61.69 61.55 3dwb s THR 233 Cb -0.31 -3.42 0.28 0.00 0.01 0.00 0.00 72.50 69.06 3dwb s THR 233 CO 0.79 -0.22 0.65 -1.20 -0.69 0.00 0.00 174.62 173.94 3dwb n SER 234 N -1.45 -0.13 -4.80 3.53 7.64 -1.26 -4.14 113.62 113.01 3dwb n SER 234 Ca -0.03 -2.90 -0.35 0.00 1.01 0.00 0.00 58.87 56.61 3dwb n SER 234 Cb 0.58 -0.23 -0.07 0.00 -1.01 0.00 0.00 64.21 63.49 3dwb n SER 234 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 3dwb s PRO 235 N -1.23 4.37 0.00 1.43 0.05 -1.26 -2.48 135.00 135.88 3dwb s PRO 235 Ca 0.35 1.19 0.00 0.00 0.05 0.00 0.00 61.00 62.59 3dwb s PRO 235 Cb 0.23 -2.45 0.00 0.00 0.05 0.00 0.00 34.50 32.33 3dwb s PRO 235 CO -0.11 0.11 0.00 1.19 0.05 0.00 0.00 177.00 178.23 3dwb n PHE 236 N -0.12 0.00 -3.54 0.56 3.01 -1.26 -4.70 117.46 111.42 3dwb n PHE 236 Ca 0.05 0.00 -0.08 0.00 1.01 0.00 0.00 57.45 58.42 3dwb n PHE 236 Cb 0.52 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.97 3dwb n PHE 236 CO 0.00 0.00 0.00 -0.59 1.01 0.00 0.00 176.76 177.18 3dwb s PHE 237 N 0.00 -0.35 -0.14 1.38 -0.12 -1.26 -4.23 117.98 113.26 3dwb s PHE 237 Ca 0.00 0.16 -0.03 0.00 -0.05 0.00 0.00 56.93 57.01 3dwb s PHE 237 Cb 0.00 0.57 -0.03 0.00 -0.63 0.00 0.00 43.02 42.93 3dwb s PHE 237 CO 0.00 -0.68 -0.03 0.45 -0.05 0.00 0.00 175.22 174.91 3dwb s SER 238 N -2.63 4.85 -0.05 1.98 0.15 -0.13 -4.69 113.70 113.19 3dwb s SER 238 Ca 0.05 -0.09 0.04 0.00 0.70 0.00 0.00 55.95 56.65 3dwb s SER 238 Cb -0.01 -1.72 -0.02 0.00 -1.71 0.00 0.00 66.02 62.55 3dwb s SER 238 CO -0.08 0.20 -0.16 -0.69 1.20 0.00 0.00 173.24 173.72 3dwb s VAL 239 N 0.17 2.91 0.06 4.45 1.01 -1.26 -0.82 120.40 126.93 3dwb s VAL 239 Ca -0.01 -0.78 -0.05 0.00 0.00 0.00 0.00 61.98 61.14 3dwb s VAL 239 Cb -0.14 -2.13 0.02 0.00 0.00 0.00 0.00 36.38 34.13 3dwb s VAL 239 CO 0.03 0.59 0.25 0.00 0.00 0.00 0.00 175.10 175.96 3dwb n TYR 240 N 2.41 -0.93 -3.81 5.22 0.18 -0.83 -4.98 117.16 114.42 3dwb n TYR 240 Ca -0.17 -0.37 -0.28 0.00 1.88 0.00 0.00 57.90 58.96 3dwb n TYR 240 Cb 0.52 0.18 -0.16 0.00 -0.38 0.00 0.00 39.34 39.50 3dwb n TYR 240 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 3dwb s VAL 241 N -2.53 0.88 0.31 -3.48 1.01 -1.26 -1.31 120.40 114.02 3dwb s VAL 241 Ca 0.05 -0.76 0.04 0.00 0.00 0.00 0.00 61.98 61.31 3dwb s VAL 241 Cb -0.01 -1.28 -0.03 0.00 0.00 0.00 0.00 36.38 35.06 3dwb s VAL 241 CO 0.02 -0.14 0.29 -0.94 0.00 0.00 0.00 175.10 174.33 3dwb s SER 242 N 1.70 1.28 0.20 3.32 1.04 -1.15 -4.92 113.70 115.17 3dwb s SER 242 Ca -0.02 -1.64 -0.31 0.00 0.48 0.00 0.00 55.95 54.46 3dwb s SER 242 Cb -0.17 0.55 -0.16 0.00 0.10 0.00 0.00 66.02 66.34 3dwb s SER 242 CO -0.07 -1.07 1.02 0.00 0.98 0.00 0.00 173.24 174.09 3dwb n ALA 243 N -0.55 -1.05 -2.17 5.32 0.00 -1.26 -1.33 120.51 119.47 3dwb n ALA 243 Ca 0.05 0.44 -0.43 0.00 0.00 0.00 0.00 53.44 53.51 3dwb n ALA 243 Cb 0.63 -1.95 -0.02 0.00 0.00 0.00 0.00 19.45 18.10 3dwb n ALA 243 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3dwb s ASP 244 N -0.32 6.22 0.48 0.00 3.68 -0.42 -4.73 116.67 121.57 3dwb s ASP 244 Ca 0.68 1.23 0.30 0.00 2.13 0.00 0.00 52.55 56.89 3dwb s ASP 244 Cb -0.84 -2.53 1.38 0.00 -1.45 0.00 0.00 42.92 39.48 3dwb s ASP 244 CO 0.55 -1.45 1.78 0.28 0.13 0.00 0.00 175.17 176.46 3dwb h SER 245 N 11.35 0.18 -0.31 -0.34 0.02 -1.90 0.10 113.55 122.65 3dwb h SER 245 Ca -0.31 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 3dwb h SER 245 Cb 1.14 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.69 3dwb h SER 245 CO 1.04 0.02 0.00 0.29 -1.14 0.00 0.00 176.83 177.04 3dwb n LYS 246 N -4.38 2.35 -2.74 3.45 5.02 -1.26 -0.14 118.16 120.46 3dwb n LYS 246 Ca 0.27 -2.02 -0.06 0.00 -2.02 0.00 0.00 58.31 54.47 3dwb n LYS 246 Cb 1.14 -1.49 0.04 0.00 -0.02 0.00 0.00 35.03 34.70 3dwb n LYS 246 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3dwb n ASN 247 N 1.26 -2.72 0.18 4.39 2.85 -0.03 -4.74 115.26 116.44 3dwb n ASN 247 Ca 0.18 -2.83 0.12 0.00 -0.11 0.00 0.00 54.58 51.94 3dwb n ASN 247 Cb 0.56 1.58 0.62 0.00 1.24 0.00 0.00 39.78 43.78 3dwb n ASN 247 CO 0.00 0.00 0.00 0.77 -2.11 0.00 0.00 177.26 175.92 3dwb h SER 248 N 4.15 0.00 0.13 1.20 4.64 -1.66 -1.23 113.55 120.78 3dwb h SER 248 Ca -0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 3dwb h SER 248 Cb 1.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 3dwb h SER 248 CO 0.14 0.00 -0.03 0.59 -0.87 0.00 0.00 176.83 176.66 3dwb n ASN 249 N -2.30 0.48 -4.43 4.97 3.02 -1.26 -4.63 115.26 111.10 3dwb n ASN 249 Ca -0.02 -0.94 -0.27 0.00 -0.03 0.00 0.00 54.58 53.32 3dwb n ASN 249 Cb 0.06 -0.04 -0.12 0.00 -0.61 0.00 0.00 39.78 39.07 3dwb n ASN 249 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3dwb s SER 250 N -2.17 3.46 0.28 6.41 0.01 -0.46 -4.23 113.70 117.00 3dwb s SER 250 Ca 0.39 -0.85 -0.02 0.00 1.31 0.00 0.00 55.95 56.78 3dwb s SER 250 Cb 0.21 -0.27 -0.04 0.00 0.21 0.00 0.00 66.02 66.13 3dwb s SER 250 CO 0.40 0.12 0.50 0.20 0.41 0.00 0.00 173.24 174.87 3dwb s ASN 251 N -2.65 6.38 0.04 2.44 0.01 -1.26 -1.31 114.94 118.61 3dwb s ASN 251 Ca 0.21 0.55 -0.05 0.00 -0.71 0.00 0.00 52.86 52.85 3dwb s ASN 251 Cb -0.08 -2.07 -0.01 0.00 0.41 0.00 0.00 41.25 39.50 3dwb s ASN 251 CO 0.10 -0.18 0.09 0.68 -1.51 0.00 0.00 177.10 176.28 3dwb s VAL 252 N -2.09 0.14 0.31 1.60 -7.23 -0.44 -4.70 120.40 107.99 3dwb s VAL 252 Ca 0.41 -1.16 -0.29 0.00 -1.81 0.00 0.00 61.98 59.13 3dwb s VAL 252 Cb -0.10 -0.99 -0.10 0.00 0.56 0.00 0.00 36.38 35.74 3dwb s VAL 252 CO 0.31 -0.64 1.30 -0.63 -0.31 0.00 0.00 175.10 175.13 3dwb s ILE 253 N -2.84 2.81 -0.04 -0.62 1.01 -1.26 -2.94 121.20 117.32 3dwb s ILE 253 Ca -0.03 0.79 0.01 0.00 0.00 0.00 0.00 60.65 61.42 3dwb s ILE 253 Cb 0.00 -3.50 0.02 0.00 0.01 0.00 0.00 42.46 38.99 3dwb s ILE 253 CO -0.06 0.18 -0.02 -1.10 0.00 0.00 0.00 174.94 173.94 3dwb s GLN 254 N -1.52 0.55 -0.09 2.79 -0.21 -0.43 -0.77 119.66 119.99 3dwb s GLN 254 Ca 0.50 -0.02 0.02 0.00 0.02 0.00 0.00 55.36 55.89 3dwb s GLN 254 Cb -0.39 -0.64 -0.02 0.00 1.00 0.00 0.00 33.01 32.96 3dwb s GLN 254 CO 0.50 -0.10 -0.17 0.08 -2.12 0.00 0.00 175.29 173.48 3dwb s VAL 255 N 0.93 2.77 0.29 1.09 1.01 -0.38 -1.96 120.40 124.15 3dwb s VAL 255 Ca -0.11 -0.79 0.03 0.00 0.00 0.00 0.00 61.98 61.11 3dwb s VAL 255 Cb -0.14 -2.11 -0.03 0.00 0.00 0.00 0.00 36.38 34.10 3dwb s VAL 255 CO -0.01 0.55 0.26 -0.62 0.00 0.00 0.00 175.10 175.29 3dwb s ASP 256 N -0.01 1.07 0.54 3.32 3.68 0.00 -3.26 116.67 122.01 3dwb s ASP 256 Ca -0.05 -1.59 -0.18 0.00 2.13 0.00 0.00 52.55 52.86 3dwb s ASP 256 Cb -0.14 0.52 -0.06 0.00 -1.45 0.00 0.00 42.92 41.78 3dwb s ASP 256 CO 0.04 -1.03 1.04 0.00 0.13 0.00 0.00 175.17 175.36 3dwb s GLN 257 N -3.64 3.58 -0.01 4.34 -2.07 -1.26 -0.95 119.66 119.65 3dwb s GLN 257 Ca 0.38 1.26 -0.11 0.00 -1.82 0.00 0.00 55.36 55.07 3dwb s GLN 257 Cb 0.03 -2.07 0.04 0.00 -1.09 0.00 0.00 33.01 29.92 3dwb s GLN 257 CO 0.21 -0.60 0.51 -1.13 -1.32 0.00 0.00 175.29 172.96 3dwb n SER 258 N -1.51 -0.46 0.00 12.60 3.41 -1.26 -4.24 113.62 122.16 3dwb n SER 258 Ca 0.09 -1.08 0.00 0.00 -0.26 0.00 0.00 58.87 57.62 3dwb n SER 258 Cb 0.53 0.70 0.00 0.00 -0.26 0.00 0.00 64.21 65.18 3dwb n SER 258 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3dwb n GLY 259 N -0.37 1.00 3.65 5.00 0.00 -1.04 -4.05 105.19 109.38 3dwb n GLY 259 Ca 0.02 -0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 3dwb n GLY 259 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dwb s LEU 260 N 0.00 4.12 0.00 0.99 1.43 -1.26 -4.77 118.68 119.18 3dwb s LEU 260 Ca 0.00 0.36 0.22 0.00 -1.03 0.00 0.00 54.13 53.68 3dwb s LEU 260 Cb 0.00 -2.39 1.31 0.00 0.03 0.00 0.00 46.19 45.15 3dwb s LEU 260 CO 0.00 -0.06 1.82 0.61 0.23 0.00 0.00 176.35 178.95 3dwb n GLY 261 N 4.18 -0.96 3.72 -3.19 0.00 -1.26 -4.72 105.19 102.96 3dwb n GLY 261 Ca -0.10 -0.14 -0.25 0.00 0.00 0.00 0.00 46.02 45.54 3dwb n GLY 261 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dwb s LEU 262 N -1.72 3.49 0.22 0.99 1.43 -1.26 -5.04 118.68 116.78 3dwb s LEU 262 Ca 0.33 -0.38 0.14 0.00 -1.03 0.00 0.00 54.13 53.20 3dwb s LEU 262 Cb 0.15 -2.07 0.77 0.00 0.03 0.00 0.00 46.19 45.07 3dwb s LEU 262 CO 0.25 0.03 1.42 -2.65 0.23 0.00 0.00 176.35 175.64 3dwb n PRO 263 N -0.59 0.09 -3.64 1.29 -0.02 -1.26 -4.74 135.00 126.13 3dwb n PRO 263 Ca -0.08 0.59 -0.08 0.00 -2.02 0.00 0.00 63.50 61.90 3dwb n PRO 263 Cb 0.57 -1.82 -0.07 0.00 -0.02 0.00 0.00 33.50 32.16 3dwb n PRO 263 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3dwb s SER 264 N -3.65 -0.54 0.59 2.55 0.15 -1.26 -5.05 113.70 106.49 3dwb s SER 264 Ca -0.02 0.99 0.29 0.00 0.70 0.00 0.00 55.95 57.91 3dwb s SER 264 Cb 0.04 1.06 1.44 0.00 -1.71 0.00 0.00 66.02 66.85 3dwb s SER 264 CO 0.13 -0.17 1.85 -0.09 1.20 0.00 0.00 173.24 176.16 3dwb h ARG 265 N 4.88 0.00 0.00 5.44 2.43 -1.93 -2.89 114.38 122.31 3dwb h ARG 265 Ca -0.28 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 58.84 3dwb h ARG 265 Cb 1.18 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.72 3dwb h ARG 265 CO 0.12 0.00 -0.21 -0.44 -1.51 0.00 0.00 179.97 177.93 3dwb h ASP 266 N 0.00 0.00 -0.02 -3.80 5.19 -1.96 -3.02 116.42 112.81 3dwb h ASP 266 Ca 0.25 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.64 3dwb h ASP 266 Cb 1.36 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.87 3dwb h ASP 266 CO -0.00 0.21 -0.04 1.88 -3.12 0.00 0.00 179.24 178.17 3dwb h TYR 267 N 0.00 0.15 0.00 4.55 -1.99 -1.92 0.80 116.97 118.56 3dwb h TYR 267 Ca -0.00 -0.01 -0.16 0.00 2.00 0.00 0.00 58.73 60.56 3dwb h TYR 267 Cb 1.10 -0.05 -0.02 0.00 2.00 0.00 0.00 36.73 39.76 3dwb h TYR 267 CO 0.00 0.19 -0.77 1.88 -0.00 0.00 0.00 178.16 179.46 3dwb h TYR 268 N 0.15 0.00 0.00 4.88 0.05 -1.70 -3.29 116.97 117.05 3dwb h TYR 268 Ca 0.04 0.00 -0.16 0.00 0.05 0.00 0.00 58.73 58.65 3dwb h TYR 268 Cb 0.17 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.88 3dwb h TYR 268 CO 0.00 0.77 -1.39 1.28 -1.05 0.00 0.00 178.16 177.78 3dwb n LEU 269 N -3.39 1.50 0.20 3.88 4.77 -0.89 -4.45 117.00 118.61 3dwb n LEU 269 Ca 0.00 0.25 -0.08 0.00 -0.03 0.00 0.00 56.01 56.15 3dwb n LEU 269 Cb 0.81 -0.58 -0.04 0.00 -2.33 0.00 0.00 43.42 41.28 3dwb n LEU 269 CO 0.44 -0.01 0.43 0.78 -1.33 0.00 0.00 177.39 177.70 3dwb h ASN 270 N -0.68 -0.43 -0.74 -1.43 4.21 0.37 -3.34 115.58 113.54 3dwb h ASN 270 Ca -0.25 0.01 0.21 0.00 1.21 0.00 0.00 56.30 57.49 3dwb h ASN 270 Cb 1.06 0.11 -0.03 0.00 -1.12 0.00 0.00 38.32 38.34 3dwb h ASN 270 CO -0.15 -0.27 0.75 0.11 -1.29 0.00 0.00 177.43 176.58 3dwb h LYS 271 N -0.59 0.00 -1.00 0.81 1.79 -1.60 -0.63 116.57 115.35 3dwb h LYS 271 Ca -0.05 0.00 0.41 0.00 -2.18 0.00 0.00 60.65 58.83 3dwb h LYS 271 Cb 0.39 0.00 -0.18 0.00 -1.58 0.00 0.00 32.23 30.86 3dwb h LYS 271 CO 0.09 0.00 0.52 0.25 -1.08 0.00 0.00 179.45 179.23 3dwb n THR 272 N -3.65 -0.42 -0.05 -0.16 -2.24 -1.25 -1.38 114.28 105.13 3dwb n THR 272 Ca 0.15 2.03 -0.02 0.00 -2.27 0.00 0.00 64.05 63.94 3dwb n THR 272 Cb 1.00 -3.29 -0.10 0.00 -2.10 0.00 0.00 70.33 65.84 3dwb n THR 272 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 3dwb n GLU 273 N -5.27 1.50 -3.73 -0.78 0.28 -0.26 -4.85 120.64 107.54 3dwb n GLU 273 Ca 0.37 -0.04 -0.34 0.00 -0.16 0.00 0.00 57.16 56.99 3dwb n GLU 273 Cb 1.27 -1.32 -0.09 0.00 1.43 0.00 0.00 31.44 32.73 3dwb n GLU 273 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 3dwb s ASN 274 N -4.25 5.50 0.29 -1.84 4.22 -0.48 -5.01 114.94 113.37 3dwb s ASN 274 Ca -0.06 -3.57 0.00 0.00 -2.14 0.00 0.00 52.86 47.09 3dwb s ASN 274 Cb 0.05 -1.82 0.00 0.00 1.28 0.00 0.00 41.25 40.76 3dwb s ASN 274 CO 0.53 -0.19 0.00 -0.62 -2.04 0.00 0.00 177.10 174.77 3dwb n GLU 275 N 2.49 -3.29 -3.15 3.55 1.02 -1.19 -4.33 120.64 115.74 3dwb n GLU 275 Ca 0.18 2.40 -0.44 0.00 -0.02 0.00 0.00 57.16 59.27 3dwb n GLU 275 Cb 0.36 -2.66 0.00 0.00 -0.02 0.00 0.00 31.44 29.12 3dwb n GLU 275 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3dwb n LYS 276 N -0.22 3.75 0.03 3.49 4.76 -1.26 -4.54 118.16 124.17 3dwb n LYS 276 Ca 0.00 -4.35 0.06 0.00 -2.87 0.00 0.00 58.31 51.16 3dwb n LYS 276 Cb 0.00 -2.63 0.29 0.00 -1.84 0.00 0.00 35.03 30.85 3dwb n LYS 276 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 3dwb n VAL 277 N 2.66 1.21 -0.10 -0.18 0.31 -1.26 -2.45 118.33 118.52 3dwb n VAL 277 Ca 0.27 0.34 -0.14 0.00 -0.01 0.00 0.00 64.34 64.80 3dwb n VAL 277 Cb 0.38 -1.20 -0.03 0.00 -0.91 0.00 0.00 33.84 32.08 3dwb n VAL 277 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3dwb h LEU 278 N 0.00 0.98 0.04 7.52 3.38 -1.87 0.11 115.31 125.48 3dwb h LEU 278 Ca 0.00 -0.49 -0.00 0.00 0.09 0.00 0.00 57.88 57.48 3dwb h LEU 278 Cb 0.19 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 3dwb h LEU 278 CO 0.00 1.28 -0.02 0.74 0.09 0.00 0.00 178.44 180.52 3dwb h THR 279 N 0.71 0.95 0.00 0.22 2.02 -1.87 0.17 112.91 115.11 3dwb h THR 279 Ca 0.04 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.20 3dwb h THR 279 Cb 1.03 0.95 -0.00 0.00 -1.74 0.00 0.00 68.15 68.39 3dwb h THR 279 CO 0.10 0.00 -0.14 1.23 0.37 0.00 0.00 175.52 177.09 3dwb h GLY 280 N -0.06 0.00 1.44 2.16 0.00 -1.47 0.23 103.07 105.36 3dwb h GLY 280 Ca -0.00 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.15 3dwb h GLY 280 CO 0.01 0.00 -1.14 -1.82 0.00 0.00 0.00 176.54 173.59 3dwb h TYR 281 N 0.00 0.00 0.02 5.60 5.03 -0.64 -2.93 116.97 124.05 3dwb h TYR 281 Ca -0.00 0.00 -0.06 0.00 2.58 0.00 0.00 58.73 61.25 3dwb h TYR 281 Cb 0.26 0.00 0.01 0.00 1.55 0.00 0.00 36.73 38.54 3dwb h TYR 281 CO 0.00 0.69 -0.23 1.25 -1.32 0.00 0.00 178.16 178.56 3dwb h LEU 282 N 0.00 0.17 -0.33 2.82 6.46 -0.16 -1.87 115.31 122.41 3dwb h LEU 282 Ca -0.11 -0.85 0.03 0.00 -0.12 0.00 0.00 57.88 56.82 3dwb h LEU 282 Cb 1.63 -0.05 -0.04 0.00 -0.73 0.00 0.00 40.66 41.47 3dwb h LEU 282 CO 0.07 1.01 -0.19 0.59 -0.62 0.00 0.00 178.44 179.29 3dwb n ASN 283 N -4.51 -0.35 -0.35 1.25 3.02 0.73 -0.07 115.26 114.98 3dwb n ASN 283 Ca -0.10 1.12 0.14 0.00 -0.03 0.00 0.00 54.58 55.70 3dwb n ASN 283 Cb 0.52 -0.34 0.33 0.00 -0.61 0.00 0.00 39.78 39.68 3dwb n ASN 283 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 3dwb h TYR 284 N 0.00 1.04 -0.35 3.10 3.20 -1.55 0.47 116.97 122.88 3dwb h TYR 284 Ca 0.05 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.94 3dwb h TYR 284 Cb 0.13 -0.31 -0.02 0.00 1.54 0.00 0.00 36.73 38.08 3dwb h TYR 284 CO -0.84 0.19 0.15 0.52 -1.64 0.00 0.00 178.16 176.54 3dwb h MET 285 N 0.72 0.53 0.08 1.82 2.86 -0.24 -2.49 114.93 118.22 3dwb h MET 285 Ca 0.59 -0.09 -0.00 0.00 -2.06 0.00 0.00 59.70 58.13 3dwb h MET 285 Cb 0.96 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.53 3dwb h MET 285 CO -0.40 0.51 -0.04 0.28 1.06 0.00 0.00 176.91 178.32 3dwb h VAL 286 N 0.43 0.92 -0.59 -2.22 2.07 0.35 0.23 116.25 117.44 3dwb h VAL 286 Ca 0.12 -0.02 -0.03 0.00 0.82 0.00 0.00 66.70 67.59 3dwb h VAL 286 Cb 0.18 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 3dwb h VAL 286 CO -0.01 0.00 0.25 -0.61 0.02 0.00 0.00 177.57 177.23 3dwb h GLN 287 N -0.12 0.87 0.00 1.57 -0.00 -1.02 -0.63 115.11 115.78 3dwb h GLN 287 Ca -0.01 -0.15 -0.05 0.00 -0.00 0.00 0.00 58.65 58.44 3dwb h GLN 287 Cb 0.09 -0.15 -0.01 0.00 0.00 0.00 0.00 27.48 27.42 3dwb h GLN 287 CO 0.02 0.73 -0.24 -0.07 0.00 0.00 0.00 178.83 179.27 3dwb h LEU 288 N 0.81 0.00 -1.28 -2.39 3.38 -1.33 -1.23 115.31 113.26 3dwb h LEU 288 Ca 0.20 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.13 3dwb h LEU 288 Cb 0.17 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 3dwb h LEU 288 CO -0.02 0.24 0.11 1.23 0.09 0.00 0.00 178.44 180.09 3dwb h GLY 289 N 0.77 0.65 0.63 0.83 0.00 0.48 -2.78 103.07 103.64 3dwb h GLY 289 Ca -0.00 -0.34 -0.01 0.00 0.00 0.00 0.00 47.33 46.98 3dwb h GLY 289 CO 0.03 0.32 -0.14 0.50 0.00 0.00 0.00 176.54 177.25 3dwb h LYS 290 N 0.59 -0.37 -0.03 4.80 1.57 -0.29 -1.77 116.57 121.08 3dwb h LYS 290 Ca 0.14 0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.95 3dwb h LYS 290 Cb 0.21 0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.60 3dwb h LYS 290 CO -0.01 -0.04 0.27 -0.07 -0.57 0.00 0.00 179.45 179.03 3dwb h LEU 291 N -0.76 0.00 -3.32 2.94 3.38 -1.07 0.11 115.31 116.59 3dwb h LEU 291 Ca -0.04 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.76 3dwb h LEU 291 Cb 0.50 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.15 3dwb h LEU 291 CO 0.06 0.00 -0.14 0.18 0.09 0.00 0.00 178.44 178.64 3dwb n LEU 292 N -3.00 3.99 -0.62 1.67 4.77 -1.06 -4.70 117.00 118.05 3dwb n LEU 292 Ca -0.02 -3.82 0.00 0.00 -0.03 0.00 0.00 56.01 52.14 3dwb n LEU 292 Cb 0.33 -0.63 0.00 0.00 -2.33 0.00 0.00 43.42 40.79 3dwb n LEU 292 CO 0.16 1.30 0.00 0.61 -1.33 0.00 0.00 177.39 178.13 3dwb n GLY 293 N -1.13 0.73 0.43 -0.72 0.00 0.39 -4.86 105.19 100.04 3dwb n GLY 293 Ca 0.32 -0.51 0.10 0.00 0.00 0.00 0.00 46.02 45.93 3dwb n GLY 293 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dwb n GLY 294 N -0.62 -0.02 7.00 -0.02 0.00 -0.67 -4.58 105.19 106.28 3dwb n GLY 294 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.46 3dwb n GLY 294 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dwb n GLY 295 N 1.30 3.00 3.69 -0.02 0.00 -1.26 -4.51 105.19 107.40 3dwb n GLY 295 Ca 0.08 0.29 -0.42 0.00 0.00 0.00 0.00 46.02 45.97 3dwb n GLY 295 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3dwb s ASP 296 N -4.00 6.69 0.35 1.61 1.01 -1.26 -4.89 116.67 116.18 3dwb s ASP 296 Ca 0.00 2.39 0.11 0.00 0.71 0.00 0.00 52.55 55.76 3dwb s ASP 296 Cb 0.00 -2.57 0.88 0.00 1.01 0.00 0.00 42.92 42.24 3dwb s ASP 296 CO 0.00 -0.81 1.81 -0.33 0.21 0.00 0.00 175.17 176.05 3dwb h GLU 297 N 7.87 0.60 -0.07 8.23 5.08 -1.99 0.21 114.58 134.52 3dwb h GLU 297 Ca -0.41 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 57.93 3dwb h GLU 297 Cb 1.20 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 30.31 3dwb h GLU 297 CO 0.91 0.40 0.07 1.05 -1.00 0.00 0.00 179.01 180.45 3dwb h GLU 298 N 0.62 0.00 0.06 2.33 4.11 -1.96 0.36 114.58 120.10 3dwb h GLU 298 Ca 0.53 0.00 -0.33 0.00 0.07 0.00 0.00 59.36 59.63 3dwb h GLU 298 Cb 1.00 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.22 3dwb h GLU 298 CO -0.28 0.00 -1.87 0.00 0.07 0.00 0.00 179.01 176.93 3dwb n ALA 299 N -2.34 1.21 -0.03 1.06 0.00 0.65 -4.42 120.51 116.65 3dwb n ALA 299 Ca -0.01 -0.70 -0.11 0.00 0.00 0.00 0.00 53.44 52.62 3dwb n ALA 299 Cb 0.17 -0.75 -0.09 0.00 0.00 0.00 0.00 19.45 18.78 3dwb n ALA 299 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3dwb h ILE 300 N 0.03 1.24 -1.00 0.00 2.04 -0.72 -3.35 117.51 115.75 3dwb h ILE 300 Ca -0.36 -1.70 0.11 0.00 1.00 0.00 0.00 64.86 63.91 3dwb h ILE 300 Cb 2.03 2.25 -0.13 0.00 -0.74 0.00 0.00 36.82 40.22 3dwb h ILE 300 CO 0.08 0.38 -0.52 0.54 0.00 0.00 0.00 178.15 178.63 3dwb n ARG 301 N -4.74 -0.37 0.13 2.37 5.12 0.12 -0.57 116.66 118.71 3dwb n ARG 301 Ca -0.08 1.52 -0.13 0.00 -1.93 0.00 0.00 57.85 57.23 3dwb n ARG 301 Cb 0.33 -2.24 -0.07 0.00 -1.16 0.00 0.00 32.46 29.32 3dwb n ARG 301 CO 0.00 0.00 0.00 -1.35 -1.93 0.00 0.00 177.63 174.35 3dwb h PRO 302 N 0.00 -0.28 -0.22 5.56 0.11 -1.77 -0.08 132.00 135.32 3dwb h PRO 302 Ca 0.22 0.02 0.06 0.00 0.11 0.00 0.00 66.00 66.41 3dwb h PRO 302 Cb 0.47 0.06 -0.07 0.00 0.11 0.00 0.00 31.00 31.58 3dwb h PRO 302 CO -0.96 -0.18 -0.24 1.96 -0.21 0.00 0.00 178.00 178.37 3dwb h GLN 303 N -0.29 -0.24 0.00 1.05 4.20 -1.49 -0.92 115.11 117.42 3dwb h GLN 303 Ca -0.01 0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 3dwb h GLN 303 Cb 0.25 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.08 3dwb h GLN 303 CO 0.00 -0.16 -0.21 1.98 -0.67 0.00 0.00 178.83 179.77 3dwb h MET 304 N -0.25 0.00 -0.22 1.46 4.05 -0.67 -2.25 114.93 117.05 3dwb h MET 304 Ca 0.13 0.00 -0.09 0.00 -0.28 0.00 0.00 59.70 59.46 3dwb h MET 304 Cb 0.45 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.25 3dwb h MET 304 CO -0.37 0.21 -0.20 0.37 0.23 0.00 0.00 176.91 177.15 3dwb h GLN 305 N 0.00 0.52 -0.66 0.39 -0.00 -0.14 -2.56 115.11 112.66 3dwb h GLN 305 Ca -0.00 -0.27 0.04 0.00 -0.00 0.00 0.00 58.65 58.41 3dwb h GLN 305 Cb 0.64 0.01 -0.04 0.00 0.00 0.00 0.00 27.48 28.09 3dwb h GLN 305 CO 0.03 0.85 0.44 1.96 0.00 0.00 0.00 178.83 182.11 3dwb h GLN 306 N 0.21 0.75 -0.63 1.69 4.20 -0.60 0.11 115.11 120.84 3dwb h GLN 306 Ca 0.04 -0.05 -0.08 0.00 0.06 0.00 0.00 58.65 58.62 3dwb h GLN 306 Cb 0.75 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.34 3dwb h GLN 306 CO 0.05 0.50 0.07 0.82 -0.67 0.00 0.00 178.83 179.59 3dwb h ILE 307 N 0.77 1.26 0.00 2.54 2.04 -1.44 -0.99 117.51 121.69 3dwb h ILE 307 Ca 0.27 -1.07 -0.00 0.00 1.00 0.00 0.00 64.86 65.06 3dwb h ILE 307 Cb 0.10 0.70 0.00 0.00 -0.74 0.00 0.00 36.82 36.88 3dwb h ILE 307 CO -0.08 0.39 -0.00 0.25 0.00 0.00 0.00 178.15 178.72 3dwb h LEU 308 N 0.98 -0.00 -0.42 1.44 5.85 -0.69 0.13 115.31 122.60 3dwb h LEU 308 Ca 0.19 -0.14 0.08 0.00 0.84 0.00 0.00 57.88 58.85 3dwb h LEU 308 Cb 0.48 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 41.42 3dwb h LEU 308 CO 0.02 0.14 -0.12 0.44 -0.34 0.00 0.00 178.44 178.59 3dwb h ASP 309 N -0.15 -0.42 -0.67 1.25 3.45 -0.70 -0.77 116.42 118.41 3dwb h ASP 309 Ca -0.00 0.13 -0.04 0.00 0.43 0.00 0.00 57.03 57.55 3dwb h ASP 309 Cb 0.15 0.27 -0.03 0.00 -0.56 0.00 0.00 39.33 39.16 3dwb h ASP 309 CO 0.00 -0.15 0.29 0.15 -1.57 0.00 0.00 179.24 177.96 3dwb h PHE 310 N -0.02 1.02 0.00 4.55 3.57 -1.00 -2.18 116.94 122.89 3dwb h PHE 310 Ca 0.20 -0.06 -0.05 0.00 3.53 0.00 0.00 57.97 61.59 3dwb h PHE 310 Cb 0.32 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 3dwb h PHE 310 CO -0.38 0.77 -0.23 1.49 -2.23 0.00 0.00 178.31 177.73 3dwb h GLU 311 N 1.00 0.00 0.18 1.11 4.81 0.23 -1.53 114.58 120.37 3dwb h GLU 311 Ca 0.24 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 59.16 3dwb h GLU 311 Cb 0.17 0.00 0.03 0.00 0.63 0.00 0.00 28.75 29.57 3dwb h GLU 311 CO -0.02 0.23 -1.34 1.79 -0.73 0.00 0.00 179.01 178.95 3dwb h THR 312 N 0.00 1.35 -0.41 0.32 1.35 -0.65 -2.41 112.91 112.45 3dwb h THR 312 Ca -0.00 -2.73 0.01 0.00 -0.55 0.00 0.00 66.41 63.15 3dwb h THR 312 Cb 0.56 2.90 -0.03 0.00 -1.73 0.00 0.00 68.15 69.85 3dwb h THR 312 CO 0.03 0.81 0.25 0.00 -0.25 0.00 0.00 175.52 176.36 3dwb h ALA 313 N 0.33 0.52 -0.74 6.62 0.00 -1.21 0.70 119.26 125.48 3dwb h ALA 313 Ca -0.20 -0.01 0.15 0.00 0.00 0.00 0.00 54.91 54.85 3dwb h ALA 313 Cb 2.03 -0.13 -0.14 0.00 0.00 0.00 0.00 17.79 19.55 3dwb h ALA 313 CO 0.24 -0.08 -0.15 1.25 0.00 0.00 0.00 179.25 180.52 3dwb h LEU 314 N 0.50 -0.62 -0.98 0.00 5.85 -1.29 0.37 115.31 119.13 3dwb h LEU 314 Ca 0.16 0.22 -0.10 0.00 0.84 0.00 0.00 57.88 59.00 3dwb h LEU 314 Cb -0.01 0.44 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 3dwb h LEU 314 CO -0.06 -0.23 -0.46 0.00 -0.34 0.00 0.00 178.44 177.34 3dwb h ALA 315 N 1.74 1.08 -0.33 1.25 0.00 -0.82 -0.01 119.26 122.17 3dwb h ALA 315 Ca 0.37 -0.42 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 3dwb h ALA 315 Cb 0.59 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3dwb h ALA 315 CO -0.75 0.57 -0.13 -0.97 0.00 0.00 0.00 179.25 177.97 3dwb h ASN 316 N 0.00 0.69 1.28 0.00 -1.24 0.27 -3.11 115.58 113.46 3dwb h ASN 316 Ca -0.00 -0.39 -0.04 0.00 0.71 0.00 0.00 56.30 56.57 3dwb h ASN 316 Cb 0.90 -0.19 -0.01 0.00 0.73 0.00 0.00 38.32 39.75 3dwb h ASN 316 CO 0.06 0.93 -0.20 0.40 -1.29 0.00 0.00 177.43 177.33 3dwb h ILE 317 N 0.45 0.42 -4.26 2.57 2.04 -0.33 -3.47 117.51 114.93 3dwb h ILE 317 Ca 0.08 -1.22 -0.51 0.00 1.00 0.00 0.00 64.86 64.20 3dwb h ILE 317 Cb 0.66 1.91 0.15 0.00 -0.74 0.00 0.00 36.82 38.79 3dwb h ILE 317 CO 0.04 0.20 0.28 -0.89 0.00 0.00 0.00 178.15 177.78 3dwb s THR 318 N -3.42 2.95 -0.17 -0.27 2.01 -0.02 -4.80 115.64 111.92 3dwb s THR 318 Ca 0.03 0.31 -0.03 0.00 0.31 0.00 0.00 61.69 62.31 3dwb s THR 318 Cb 0.08 -2.68 -0.02 0.00 0.01 0.00 0.00 72.50 69.89 3dwb s THR 318 CO 0.65 -0.40 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.48 3dwb s ILE 319 N -2.84 3.50 0.31 1.82 -1.09 -1.26 -4.99 121.20 116.65 3dwb s ILE 319 Ca 0.63 -0.48 -0.30 0.00 -2.23 0.00 0.00 60.65 58.27 3dwb s ILE 319 Cb -0.19 -2.54 -0.12 0.00 -1.58 0.00 0.00 42.46 38.04 3dwb s ILE 319 CO 0.57 0.48 1.56 -2.65 -1.23 0.00 0.00 174.94 173.66 3dwb n PRO 320 N 3.94 2.66 0.02 2.79 -0.02 -1.26 -4.86 135.00 138.27 3dwb n PRO 320 Ca -0.18 0.94 0.03 0.00 -2.02 0.00 0.00 63.50 62.27 3dwb n PRO 320 Cb 0.52 -2.70 0.14 0.00 -0.02 0.00 0.00 33.50 31.44 3dwb n PRO 320 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 3dwb n GLN 321 N 1.69 0.02 0.00 -0.52 -0.06 -1.26 -0.33 117.38 116.92 3dwb n GLN 321 Ca 0.07 0.46 -0.13 0.00 -2.00 0.00 0.00 57.00 55.40 3dwb n GLN 321 Cb 0.37 -1.57 -0.01 0.00 -4.06 0.00 0.00 30.24 24.98 3dwb n GLN 321 CO 0.00 0.00 0.00 0.93 -0.20 0.00 0.00 177.06 177.79 3dwb h GLU 322 N 0.00 0.62 -0.65 3.69 5.08 -1.97 -2.75 114.58 118.60 3dwb h GLU 322 Ca 0.00 -0.47 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 3dwb h GLU 322 Cb 0.06 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.40 3dwb h GLU 322 CO 0.00 1.09 0.00 1.63 -1.00 0.00 0.00 179.01 180.73 3dwb n LYS 323 N -3.91 0.92 -1.29 2.33 5.02 0.55 -3.61 118.16 118.16 3dwb n LYS 323 Ca -0.05 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.27 3dwb n LYS 323 Cb 0.69 -1.32 0.02 0.00 -0.02 0.00 0.00 35.03 34.40 3dwb n LYS 323 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3dwb n ARG 324 N -0.12 0.06 -0.08 1.97 1.74 -1.04 -4.88 116.66 114.31 3dwb n ARG 324 Ca 0.00 -1.87 -0.14 0.00 -0.77 0.00 0.00 57.85 55.07 3dwb n ARG 324 Cb 0.16 -0.14 -0.09 0.00 -1.02 0.00 0.00 32.46 31.36 3dwb n ARG 324 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 3dwb h ARG 325 N 0.82 0.00 -5.66 5.56 9.65 -1.61 -3.46 114.38 119.68 3dwb h ARG 325 Ca -0.18 0.00 -0.63 0.00 -1.10 0.00 0.00 59.98 58.07 3dwb h ARG 325 Cb 1.78 0.00 -0.14 0.00 -1.39 0.00 0.00 29.97 30.23 3dwb h ARG 325 CO 0.08 0.75 0.37 0.34 2.80 0.00 0.00 179.97 184.31 3dwb s ASP 326 N -6.31 6.35 0.08 -3.80 3.68 -1.26 -4.93 116.67 110.47 3dwb s ASP 326 Ca -0.20 -0.35 -0.18 0.00 2.13 0.00 0.00 52.55 53.95 3dwb s ASP 326 Cb 0.01 -2.39 -0.09 0.00 -1.45 0.00 0.00 42.92 39.01 3dwb s ASP 326 CO 0.51 -1.02 1.48 -0.08 0.13 0.00 0.00 175.17 176.18 3dwb h GLU 327 N 9.10 0.46 -0.99 4.34 4.57 -1.94 -2.48 114.58 127.64 3dwb h GLU 327 Ca -0.26 -0.17 0.36 0.00 -1.18 0.00 0.00 59.36 58.12 3dwb h GLU 327 Cb 1.08 -0.03 -0.17 0.00 -0.16 0.00 0.00 28.75 29.48 3dwb h GLU 327 CO 1.01 0.68 0.50 0.93 -1.18 0.00 0.00 179.01 180.94 3dwb h GLU 328 N 0.20 0.12 0.00 1.92 5.08 -1.94 0.24 114.58 120.21 3dwb h GLU 328 Ca 0.06 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.36 3dwb h GLU 328 Cb 0.51 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 3dwb h GLU 328 CO 0.02 0.08 -0.96 -0.07 -1.00 0.00 0.00 179.01 177.08 3dwb h LEU 329 N 0.13 0.00 0.00 1.33 3.38 -1.87 -3.36 115.31 114.91 3dwb h LEU 329 Ca 0.78 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.75 3dwb h LEU 329 Cb 1.91 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.66 3dwb h LEU 329 CO -0.72 0.19 -0.84 2.30 0.09 0.00 0.00 178.44 179.46 3dwb n ILE 330 N -2.82 0.00 -2.07 1.22 -5.35 -0.63 -4.92 119.36 104.79 3dwb n ILE 330 Ca -0.02 -0.19 -0.43 0.00 -0.27 0.00 0.00 62.75 61.84 3dwb n ILE 330 Cb 0.64 0.86 -0.03 0.00 -1.74 0.00 0.00 39.64 39.37 3dwb n ILE 330 CO 0.00 0.00 0.00 -0.47 -1.76 0.00 0.00 176.55 174.32 3dwb s TYR 331 N -2.46 2.07 -0.16 4.28 6.14 0.75 -4.19 117.35 123.79 3dwb s TYR 331 Ca 0.04 0.40 -0.02 0.00 0.64 0.00 0.00 57.07 58.12 3dwb s TYR 331 Cb 0.11 -3.91 0.05 0.00 0.42 0.00 0.00 41.96 38.63 3dwb s TYR 331 CO 0.59 -3.35 0.02 -1.01 0.64 0.00 0.00 175.55 172.44 3dwb s HIS 332 N 4.54 0.97 -0.12 4.97 3.76 -0.95 -4.99 115.29 123.47 3dwb s HIS 332 Ca 0.72 -0.67 -0.18 0.00 -0.15 0.00 0.00 55.06 54.78 3dwb s HIS 332 Cb -0.29 -0.98 -0.04 0.00 1.11 0.00 0.00 32.58 32.37 3dwb s HIS 332 CO 0.28 -0.53 0.48 0.21 -0.85 0.00 0.00 174.74 174.33 3dwb s LYS 333 N 1.88 4.33 0.11 1.40 2.20 -1.26 0.27 119.74 128.67 3dwb s LYS 333 Ca 0.01 0.44 0.05 0.00 -0.36 0.00 0.00 55.97 56.11 3dwb s LYS 333 Cb -0.15 -3.44 -0.04 0.00 -1.51 0.00 0.00 37.83 32.68 3dwb s LYS 333 CO -0.07 0.14 -0.12 0.14 -0.36 0.00 0.00 175.35 175.08 3dwb s VAL 334 N 0.69 1.12 0.75 4.02 -7.23 -0.23 -4.96 120.40 114.56 3dwb s VAL 334 Ca 0.26 -1.71 -0.11 0.00 -1.81 0.00 0.00 61.98 58.60 3dwb s VAL 334 Cb -0.15 -1.47 0.04 0.00 0.56 0.00 0.00 36.38 35.36 3dwb s VAL 334 CO 0.10 -0.52 1.08 0.42 -0.31 0.00 0.00 175.10 175.87 3dwb s THR 335 N -2.41 3.50 0.42 5.32 -4.23 -1.26 0.04 115.64 117.02 3dwb s THR 335 Ca 0.08 0.49 0.31 0.00 -1.18 0.00 0.00 61.69 61.39 3dwb s THR 335 Cb -0.03 -3.25 0.33 0.00 1.34 0.00 0.00 72.50 70.89 3dwb s THR 335 CO 0.01 -0.64 2.11 0.00 -0.54 0.00 0.00 174.62 175.57 3dwb h ALA 336 N -0.90 1.21 -0.17 3.99 0.00 -0.85 0.16 119.26 122.70 3dwb h ALA 336 Ca -0.46 -0.07 -0.18 0.00 0.00 0.00 0.00 54.91 54.21 3dwb h ALA 336 Cb 1.24 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.03 3dwb h ALA 336 CO 0.59 0.10 -0.59 0.00 0.00 0.00 0.00 179.25 179.35 3dwb h ALA 337 N 1.92 0.30 -0.69 0.00 0.00 -1.76 -2.48 119.26 116.55 3dwb h ALA 337 Ca -0.00 -0.53 -0.05 0.00 0.00 0.00 0.00 54.91 54.33 3dwb h ALA 337 Cb 0.29 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 3dwb h ALA 337 CO 0.01 0.54 0.25 0.93 0.00 0.00 0.00 179.25 180.98 3dwb h GLU 338 N 0.39 1.04 -0.28 0.00 5.08 -1.61 -2.88 114.58 116.32 3dwb h GLU 338 Ca -0.03 -0.19 -0.05 0.00 -1.00 0.00 0.00 59.36 58.10 3dwb h GLU 338 Cb 1.21 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.28 3dwb h GLU 338 CO 0.12 0.87 -0.02 1.25 -1.00 0.00 0.00 179.01 180.23 3dwb h LEU 339 N 1.01 0.40 -0.46 1.33 5.85 -0.71 -1.95 115.31 120.78 3dwb h LEU 339 Ca 0.23 -0.07 -0.17 0.00 0.84 0.00 0.00 57.88 58.71 3dwb h LEU 339 Cb 0.24 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.16 3dwb h LEU 339 CO -0.01 0.49 -0.57 -0.61 -0.34 0.00 0.00 178.44 177.39 3dwb h GLN 340 N 0.42 0.60 -0.33 1.25 5.75 -1.24 -0.13 115.11 121.44 3dwb h GLN 340 Ca 0.09 -0.39 -0.15 0.00 -0.15 0.00 0.00 58.65 58.05 3dwb h GLN 340 Cb 0.31 0.05 -0.00 0.00 1.07 0.00 0.00 27.48 28.91 3dwb h GLN 340 CO 0.01 1.01 -0.38 1.79 -2.65 0.00 0.00 178.83 178.61 3dwb h THR 341 N 0.46 1.28 -0.34 2.39 1.35 -1.41 -2.95 112.91 113.69 3dwb h THR 341 Ca 0.00 -1.56 -0.01 0.00 -0.55 0.00 0.00 66.41 64.30 3dwb h THR 341 Cb 1.13 1.51 -0.02 0.00 -1.73 0.00 0.00 68.15 69.05 3dwb h THR 341 CO 0.11 0.51 0.18 0.25 -0.25 0.00 0.00 175.52 176.32 3dwb h LEU 342 N 0.62 0.44 -6.74 3.87 7.12 -1.11 -3.35 115.31 116.17 3dwb h LEU 342 Ca 0.05 -0.11 -0.60 0.00 0.13 0.00 0.00 57.88 57.34 3dwb h LEU 342 Cb 0.97 -0.11 -0.40 0.00 -0.53 0.00 0.00 40.66 40.59 3dwb h LEU 342 CO 0.09 0.42 -0.79 0.00 -0.13 0.00 0.00 178.44 178.04 3dwb s ALA 343 N -5.78 2.37 -0.13 1.25 0.00 -0.08 -3.93 121.76 115.46 3dwb s ALA 343 Ca -0.13 -2.95 0.29 0.00 0.00 0.00 0.00 51.96 49.16 3dwb s ALA 343 Cb 0.10 -1.85 1.30 0.00 0.00 0.00 0.00 23.12 22.67 3dwb s ALA 343 CO 0.73 -2.04 1.86 -1.35 0.00 0.00 0.00 175.76 174.96 3dwb h PRO 344 N 5.79 0.00 -0.50 0.00 0.11 -1.66 -3.31 132.00 132.43 3dwb h PRO 344 Ca 0.17 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.27 3dwb h PRO 344 Cb 0.86 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.95 3dwb h PRO 344 CO 0.51 0.00 0.26 0.00 -0.21 0.00 0.00 178.00 178.56 3dwb h ALA 345 N 2.11 0.65 -2.73 -0.75 0.00 -1.87 -3.40 119.26 113.28 3dwb h ALA 345 Ca 0.00 -0.10 -0.52 0.00 0.00 0.00 0.00 54.91 54.28 3dwb h ALA 345 Cb 0.30 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 3dwb h ALA 345 CO 0.00 0.19 0.19 0.42 0.00 0.00 0.00 179.25 180.05 3dwb s ILE 346 N -5.79 4.34 -0.85 0.00 1.09 -1.25 -4.98 121.20 113.76 3dwb s ILE 346 Ca -0.13 1.73 -0.21 0.00 -1.10 0.00 0.00 60.65 60.95 3dwb s ILE 346 Cb 0.12 -4.15 0.10 0.00 -1.06 0.00 0.00 42.46 37.46 3dwb s ILE 346 CO 0.76 0.52 1.11 0.21 -0.10 0.00 0.00 174.94 177.44 3dwb s ASN 347 N -1.15 6.46 0.06 3.58 3.84 -1.26 -4.94 114.94 121.52 3dwb s ASN 347 Ca 0.36 -1.62 -0.20 0.00 0.21 0.00 0.00 52.86 51.61 3dwb s ASN 347 Cb -0.23 -2.43 -0.11 0.00 -0.55 0.00 0.00 41.25 37.93 3dwb s ASN 347 CO 0.27 -1.25 1.48 -0.50 -2.79 0.00 0.00 177.10 174.31 3dwb h TRP 348 N 9.20 0.36 -0.37 0.43 4.06 -1.92 -2.29 115.95 125.41 3dwb h TRP 348 Ca 0.01 -0.07 0.00 0.00 2.06 0.00 0.00 58.89 60.90 3dwb h TRP 348 Cb 1.04 -0.09 -0.02 0.00 -1.00 0.00 0.00 29.16 29.09 3dwb h TRP 348 CO 1.12 0.55 0.24 -0.07 -3.56 0.00 0.00 178.44 176.71 3dwb h LEU 349 N 0.06 0.44 -0.60 -4.49 3.38 -1.92 0.47 115.31 112.65 3dwb h LEU 349 Ca 0.05 -0.03 0.05 0.00 0.09 0.00 0.00 57.88 58.03 3dwb h LEU 349 Cb 0.42 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.01 3dwb h LEU 349 CO 0.01 0.34 0.33 -0.65 0.09 0.00 0.00 178.44 178.56 3dwb h PRO 350 N 0.49 0.61 0.28 1.13 0.11 -1.94 -0.47 132.00 132.22 3dwb h PRO 350 Ca 0.13 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.19 3dwb h PRO 350 Cb -0.03 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 30.95 3dwb h PRO 350 CO -0.03 0.40 -0.14 0.35 -0.21 0.00 0.00 178.00 178.38 3dwb h PHE 351 N 0.63 -0.35 -0.08 0.65 3.04 -0.51 -0.82 116.94 119.49 3dwb h PHE 351 Ca 0.26 -0.01 -0.00 0.00 3.98 0.00 0.00 57.97 62.20 3dwb h PHE 351 Cb 0.13 0.12 -0.00 0.00 2.56 0.00 0.00 35.95 38.75 3dwb h PHE 351 CO -0.08 -0.21 0.04 -0.07 -2.02 0.00 0.00 178.31 175.97 3dwb h LEU 352 N -0.38 0.11 -1.99 0.59 3.38 -0.14 -1.88 115.31 114.99 3dwb h LEU 352 Ca -0.04 -0.10 0.09 0.00 0.09 0.00 0.00 57.88 57.92 3dwb h LEU 352 Cb 0.29 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 3dwb h LEU 352 CO 0.06 0.18 0.24 0.78 0.09 0.00 0.00 178.44 179.79 3dwb h ASN 353 N 0.03 0.01 0.30 -0.43 2.35 -0.96 0.16 115.58 117.04 3dwb h ASN 353 Ca 0.03 0.00 -0.33 0.00 -0.55 0.00 0.00 56.30 55.45 3dwb h ASN 353 Cb 0.10 -0.00 0.03 0.00 0.05 0.00 0.00 38.32 38.49 3dwb h ASN 353 CO -0.00 0.01 -1.52 0.00 -1.65 0.00 0.00 177.43 174.26 3dwb h THR 354 N 0.01 1.22 0.00 2.81 1.03 -0.67 -3.00 112.91 114.32 3dwb h THR 354 Ca 0.16 -2.71 -0.01 0.00 -0.01 0.00 0.00 66.41 63.84 3dwb h THR 354 Cb 0.61 2.96 -0.00 0.00 -1.07 0.00 0.00 68.15 70.65 3dwb h THR 354 CO -0.00 0.83 -0.52 0.16 -0.01 0.00 0.00 175.52 175.97 3dwb h ILE 355 N 0.13 0.03 -0.66 0.00 3.07 -0.90 -3.25 117.51 115.93 3dwb h ILE 355 Ca -0.26 -1.05 0.00 0.00 1.55 0.00 0.00 64.86 65.09 3dwb h ILE 355 Cb 2.13 1.77 0.00 0.00 -0.27 0.00 0.00 36.82 40.45 3dwb h ILE 355 CO 0.24 0.02 0.00 0.49 -1.05 0.00 0.00 178.15 177.85 3dwb n PHE 356 N -2.90 1.07 -1.67 0.16 3.01 0.54 -4.89 117.46 112.78 3dwb n PHE 356 Ca 0.02 -0.54 -0.41 0.00 1.01 0.00 0.00 57.45 57.52 3dwb n PHE 356 Cb 0.55 -0.08 0.01 0.00 -0.01 0.00 0.00 39.48 39.95 3dwb n PHE 356 CO 0.00 0.00 0.00 0.98 1.01 0.00 0.00 176.76 178.75 3dwb n TYR 357 N 1.34 1.84 0.38 1.38 9.36 -1.13 -0.21 117.16 130.11 3dwb n TYR 357 Ca 0.23 0.53 0.03 0.00 3.32 0.00 0.00 57.90 62.02 3dwb n TYR 357 Cb 0.69 -2.33 0.15 0.00 -0.63 0.00 0.00 39.34 37.22 3dwb n TYR 357 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3dwb n PRO 358 N 0.15 2.40 -3.28 2.98 -0.04 -1.26 -4.94 135.00 131.01 3dwb n PRO 358 Ca 0.07 -1.20 -0.39 0.00 -0.04 0.00 0.00 63.50 61.95 3dwb n PRO 358 Cb 0.39 -1.72 -0.06 0.00 -0.04 0.00 0.00 33.50 32.07 3dwb n PRO 358 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3dwb s VAL 359 N -1.67 4.85 0.05 0.52 1.01 0.70 -5.06 120.40 120.80 3dwb s VAL 359 Ca 0.21 1.17 -0.25 0.00 0.00 0.00 0.00 61.98 63.12 3dwb s VAL 359 Cb 0.15 -3.89 -0.06 0.00 0.00 0.00 0.00 36.38 32.59 3dwb s VAL 359 CO 0.07 0.50 0.75 -0.70 0.00 0.00 0.00 175.10 175.72 3dwb s GLU 360 N -0.69 4.48 -0.17 2.72 2.12 -1.26 -4.79 118.70 121.11 3dwb s GLU 360 Ca 0.29 1.04 0.00 0.00 0.36 0.00 0.00 54.97 56.66 3dwb s GLU 360 Cb -0.19 -3.35 0.01 0.00 0.26 0.00 0.00 34.13 30.86 3dwb s GLU 360 CO 0.17 0.32 -0.17 0.42 -0.54 0.00 0.00 175.26 175.47 3dwb s ILE 361 N -0.18 2.41 0.49 -3.70 -1.09 -1.26 -5.07 121.20 112.79 3dwb s ILE 361 Ca 0.37 -0.84 0.06 0.00 -2.23 0.00 0.00 60.65 58.01 3dwb s ILE 361 Cb -0.21 -2.02 -0.00 0.00 -1.58 0.00 0.00 42.46 38.65 3dwb s ILE 361 CO 0.23 0.52 0.28 0.54 -1.23 0.00 0.00 174.94 175.28 3dwb s ASN 362 N 1.09 4.55 0.63 3.58 2.20 -1.26 -4.84 114.94 120.89 3dwb s ASN 362 Ca -0.00 -1.19 0.32 0.00 -0.94 0.00 0.00 52.86 51.04 3dwb s ASN 362 Cb -0.14 0.05 1.74 0.00 -2.00 0.00 0.00 41.25 40.89 3dwb s ASN 362 CO -0.06 -0.85 2.04 -0.33 -2.94 0.00 0.00 177.10 174.96 3dwb h GLU 363 N 1.06 0.00 -0.20 3.55 5.08 -2.00 0.58 114.58 122.66 3dwb h GLU 363 Ca -0.40 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.96 3dwb h GLU 363 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 3dwb h GLU 363 CO 0.63 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 177.51 3dwb n SER 364 N -3.33 1.39 -4.66 1.42 3.41 -1.26 -2.28 113.62 108.30 3dwb n SER 364 Ca 0.01 -1.80 -0.46 0.00 -0.26 0.00 0.00 58.87 56.36 3dwb n SER 364 Cb 0.36 -0.13 -0.04 0.00 -0.26 0.00 0.00 64.21 64.15 3dwb n SER 364 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 3dwb n GLU 365 N 0.18 2.06 -2.45 4.33 4.07 0.19 -4.72 120.64 124.32 3dwb n GLU 365 Ca 0.13 0.74 -0.42 0.00 -0.06 0.00 0.00 57.16 57.56 3dwb n GLU 365 Cb 0.26 -2.48 -0.03 0.00 -0.06 0.00 0.00 31.44 29.12 3dwb n GLU 365 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 3dwb s PRO 366 N 0.60 4.50 -0.08 5.31 0.04 -1.26 -1.13 135.00 142.98 3dwb s PRO 366 Ca 0.77 1.77 -0.01 0.00 0.04 0.00 0.00 61.00 63.56 3dwb s PRO 366 Cb -0.69 -3.31 0.03 0.00 0.04 0.00 0.00 34.50 30.57 3dwb s PRO 366 CO 0.41 -0.12 -0.02 0.42 0.04 0.00 0.00 177.00 177.73 3dwb s ILE 367 N 0.43 0.54 -0.09 0.56 1.01 0.11 -4.11 121.20 119.65 3dwb s ILE 367 Ca 0.54 0.02 -0.30 0.00 0.00 0.00 0.00 60.65 60.92 3dwb s ILE 367 Cb -0.30 -0.66 -0.01 0.00 0.01 0.00 0.00 42.46 41.49 3dwb s ILE 367 CO 0.32 0.29 1.01 -0.69 0.00 0.00 0.00 174.94 175.87 3dwb s VAL 368 N 1.90 4.78 -0.10 2.92 1.01 0.05 -1.06 120.40 129.91 3dwb s VAL 368 Ca 0.05 2.04 0.03 0.00 0.00 0.00 0.00 61.98 64.09 3dwb s VAL 368 Cb -0.12 -4.31 0.01 0.00 0.00 0.00 0.00 36.38 31.96 3dwb s VAL 368 CO -0.06 0.02 -0.17 -0.69 0.00 0.00 0.00 175.10 174.20 3dwb s VAL 369 N 1.89 1.58 -0.16 2.92 1.01 0.14 -1.25 120.40 126.53 3dwb s VAL 369 Ca 0.49 -0.72 0.20 0.00 0.00 0.00 0.00 61.98 61.95 3dwb s VAL 369 Cb -0.19 -1.41 -0.10 0.00 0.00 0.00 0.00 36.38 34.68 3dwb s VAL 369 CO 0.19 0.45 0.85 -1.22 0.00 0.00 0.00 175.10 175.38 3dwb n TYR 370 N 3.90 0.86 -3.48 5.22 4.01 -1.20 -2.24 117.16 124.24 3dwb n TYR 370 Ca -0.20 0.27 -0.19 0.00 -0.16 0.00 0.00 57.90 57.62 3dwb n TYR 370 Cb 0.52 -0.99 -0.13 0.00 -0.31 0.00 0.00 39.34 38.44 3dwb n TYR 370 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3dwb s ASP 371 N -5.50 1.53 0.15 7.72 -1.08 -1.26 -4.72 116.67 113.51 3dwb s ASP 371 Ca -0.03 -0.35 -0.16 0.00 -0.52 0.00 0.00 52.55 51.49 3dwb s ASP 371 Cb 0.09 0.36 0.01 0.00 -1.46 0.00 0.00 42.92 41.93 3dwb s ASP 371 CO 0.81 -0.34 1.80 0.11 0.52 0.00 0.00 175.17 178.08 3dwb h LYS 372 N 8.31 0.48 -0.19 4.34 1.57 -1.94 -2.80 116.57 126.33 3dwb h LYS 372 Ca -0.17 -0.03 -0.14 0.00 -1.87 0.00 0.00 60.65 58.45 3dwb h LYS 372 Cb 1.13 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.33 3dwb h LYS 372 CO 0.30 0.32 -0.45 1.49 -0.57 0.00 0.00 179.45 180.53 3dwb h GLU 373 N 0.49 0.48 0.18 3.15 4.81 -1.98 -1.64 114.58 120.08 3dwb h GLU 373 Ca 0.14 -0.26 0.01 0.00 -0.13 0.00 0.00 59.36 59.12 3dwb h GLU 373 Cb -0.03 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.31 3dwb h GLU 373 CO -0.05 0.84 -0.51 -0.92 -0.73 0.00 0.00 179.01 177.64 3dwb h TYR 374 N 0.39 -1.47 -0.75 0.92 3.20 -1.86 0.37 116.97 117.77 3dwb h TYR 374 Ca 0.03 0.03 0.02 0.00 3.14 0.00 0.00 58.73 61.95 3dwb h TYR 374 Cb 0.95 0.62 -0.04 0.00 1.54 0.00 0.00 36.73 39.80 3dwb h TYR 374 CO 0.03 -0.60 0.50 -0.07 -1.64 0.00 0.00 178.16 176.38 3dwb h LEU 375 N -0.78 0.84 -0.26 2.82 3.38 -1.32 0.79 115.31 120.78 3dwb h LEU 375 Ca -0.01 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 57.96 3dwb h LEU 375 Cb 0.77 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 3dwb h LEU 375 CO -0.25 0.60 0.12 -0.33 0.09 0.00 0.00 178.44 178.67 3dwb h GLU 376 N 0.98 0.26 -0.53 1.13 5.08 -1.08 -1.86 114.58 118.55 3dwb h GLU 376 Ca 0.28 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.56 3dwb h GLU 376 Cb -0.06 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 3dwb h GLU 376 CO -0.07 0.17 0.06 1.96 -1.00 0.00 0.00 179.01 180.13 3dwb h GLN 377 N 0.26 0.86 0.07 2.33 4.20 0.31 -2.35 115.11 120.79 3dwb h GLN 377 Ca 0.11 -0.22 0.02 0.00 0.06 0.00 0.00 58.65 58.62 3dwb h GLN 377 Cb 0.03 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 27.67 3dwb h GLN 377 CO -0.08 0.83 -0.24 0.82 -0.67 0.00 0.00 178.83 179.49 3dwb h ILE 378 N 0.81 0.47 -0.58 2.54 5.03 0.52 -1.84 117.51 124.46 3dwb h ILE 378 Ca 0.16 0.00 0.06 0.00 -0.12 0.00 0.00 64.86 64.96 3dwb h ILE 378 Cb 0.41 0.47 -0.05 0.00 -3.03 0.00 0.00 36.82 34.61 3dwb h ILE 378 CO 0.01 0.00 0.30 -1.28 -0.68 0.00 0.00 178.15 176.50 3dwb h SER 379 N -0.41 0.41 -0.44 1.72 0.87 -0.91 0.62 113.55 115.42 3dwb h SER 379 Ca 0.04 0.04 -0.03 0.00 -1.23 0.00 0.00 61.79 60.60 3dwb h SER 379 Cb 0.45 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.36 3dwb h SER 379 CO -0.16 0.27 0.14 0.71 -0.53 0.00 0.00 176.83 177.26 3dwb h THR 380 N 0.55 1.22 -0.25 2.23 1.35 -1.44 0.69 112.91 117.26 3dwb h THR 380 Ca 0.27 -0.71 -0.01 0.00 -0.55 0.00 0.00 66.41 65.40 3dwb h THR 380 Cb 0.19 0.86 -0.01 0.00 -1.73 0.00 0.00 68.15 67.47 3dwb h THR 380 CO -0.19 0.26 0.11 0.25 -0.25 0.00 0.00 175.52 175.70 3dwb h LEU 381 N 0.56 0.30 0.16 3.87 6.46 -0.36 0.12 115.31 126.42 3dwb h LEU 381 Ca 0.14 -0.02 -0.01 0.00 -0.12 0.00 0.00 57.88 57.87 3dwb h LEU 381 Cb 0.25 -0.08 0.00 0.00 -0.73 0.00 0.00 40.66 40.11 3dwb h LEU 381 CO -0.01 0.27 -0.08 0.40 -0.62 0.00 0.00 178.44 178.40 3dwb h ILE 382 N 0.34 0.59 0.00 4.05 2.04 0.64 -3.17 117.51 122.00 3dwb h ILE 382 Ca 0.09 -1.13 0.00 0.00 1.00 0.00 0.00 64.86 64.82 3dwb h ILE 382 Cb 0.05 1.04 0.00 0.00 -0.74 0.00 0.00 36.82 37.17 3dwb h ILE 382 CO -0.01 0.17 0.00 0.78 0.00 0.00 0.00 178.15 179.09 3dwb h ASN 383 N -0.97 0.00 0.43 1.72 2.35 -0.78 -2.90 115.58 115.44 3dwb h ASN 383 Ca -0.02 0.00 -0.23 0.00 -0.55 0.00 0.00 56.30 55.50 3dwb h ASN 383 Cb 0.44 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.77 3dwb h ASN 383 CO 0.04 0.00 -1.75 1.07 -1.65 0.00 0.00 177.43 175.13 3dwb n THR 384 N -2.88 1.24 -3.54 2.81 5.66 0.02 -4.96 114.28 112.63 3dwb n THR 384 Ca -0.03 -0.74 -0.29 0.00 -3.05 0.00 0.00 64.05 59.94 3dwb n THR 384 Cb 0.07 -0.69 -0.04 0.00 -1.55 0.00 0.00 70.33 68.12 3dwb n THR 384 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3dwb s THR 385 N -2.79 5.11 0.85 1.09 -4.23 -1.10 -5.07 115.64 109.51 3dwb s THR 385 Ca -0.05 -0.05 -0.11 0.00 -1.18 0.00 0.00 61.69 60.30 3dwb s THR 385 Cb 0.08 -3.70 0.11 0.00 1.34 0.00 0.00 72.50 70.33 3dwb s THR 385 CO 0.83 -0.17 1.10 1.51 -0.54 0.00 0.00 174.62 177.35 3dwb s ASP 386 N -2.93 3.70 0.06 3.99 -4.77 -1.26 -4.89 116.67 110.57 3dwb s ASP 386 Ca 0.42 1.85 -0.10 0.00 -3.30 0.00 0.00 52.55 51.42 3dwb s ASP 386 Cb -0.11 -2.46 -0.31 0.00 -1.09 0.00 0.00 42.92 38.95 3dwb s ASP 386 CO 0.28 -2.55 1.09 0.03 0.70 0.00 0.00 175.17 174.71 3dwb h ARG 387 N -1.49 0.41 -0.02 2.11 3.08 -1.96 -2.54 114.38 113.98 3dwb h ARG 387 Ca -0.45 -0.68 0.02 0.00 0.07 0.00 0.00 59.98 58.93 3dwb h ARG 387 Cb 1.26 0.25 -0.02 0.00 0.08 0.00 0.00 29.97 31.53 3dwb h ARG 387 CO 0.49 1.32 -0.09 0.00 -1.07 0.00 0.00 179.97 180.62 3dwb h LEU 389 N -0.15 0.14 -0.65 0.00 6.46 -1.96 1.05 115.31 120.20 3dwb h LEU 389 Ca 0.04 0.10 0.02 0.00 -0.12 0.00 0.00 57.88 57.92 3dwb h LEU 389 Cb 0.20 0.10 -0.04 0.00 -0.73 0.00 0.00 40.66 40.20 3dwb h LEU 389 CO -0.10 0.07 0.41 -0.07 -0.62 0.00 0.00 178.44 178.13 3dwb h LEU 390 N 0.35 0.68 -0.13 2.25 3.38 -0.41 0.11 115.31 121.55 3dwb h LEU 390 Ca 0.33 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.29 3dwb h LEU 390 Cb 0.47 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 3dwb h LEU 390 CO -0.37 0.48 0.04 -1.13 0.09 0.00 0.00 178.44 177.55 3dwb h ASN 391 N 0.81 0.19 -0.86 -0.43 -1.24 0.13 -2.12 115.58 112.07 3dwb h ASN 391 Ca 0.26 -0.19 0.00 0.00 0.71 0.00 0.00 56.30 57.08 3dwb h ASN 391 Cb -0.01 -0.05 -0.04 0.00 0.73 0.00 0.00 38.32 38.95 3dwb h ASN 391 CO -0.09 0.33 0.55 0.78 -1.29 0.00 0.00 177.43 177.71 3dwb h ASN 392 N 0.03 1.00 -0.24 1.15 -0.26 0.15 -0.88 115.58 116.53 3dwb h ASN 392 Ca 0.04 -0.04 0.04 0.00 -0.56 0.00 0.00 56.30 55.78 3dwb h ASN 392 Cb 0.21 -0.25 -0.04 0.00 -1.06 0.00 0.00 38.32 37.18 3dwb h ASN 392 CO -0.00 0.75 -0.01 0.22 -1.06 0.00 0.00 177.43 177.33 3dwb h TYR 393 N 1.17 -0.02 -0.52 1.19 5.03 -0.75 -0.71 116.97 122.35 3dwb h TYR 393 Ca 0.31 0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.62 3dwb h TYR 393 Cb -0.10 0.05 -0.02 0.00 1.55 0.00 0.00 36.73 38.20 3dwb h TYR 393 CO -0.01 -0.04 0.25 0.52 -1.32 0.00 0.00 178.16 177.56 3dwb h MET 394 N 0.07 0.75 -0.22 1.82 2.86 -0.61 -1.64 114.93 117.96 3dwb h MET 394 Ca 0.11 -0.11 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 3dwb h MET 394 Cb 0.15 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 3dwb h MET 394 CO -0.20 0.63 0.06 0.82 1.06 0.00 0.00 176.91 179.28 3dwb h ILE 395 N 0.70 1.20 -0.71 -1.22 5.03 -1.13 -1.76 117.51 119.62 3dwb h ILE 395 Ca 0.18 -0.64 0.16 0.00 -0.12 0.00 0.00 64.86 64.44 3dwb h ILE 395 Cb 0.12 1.20 -0.12 0.00 -3.03 0.00 0.00 36.82 34.98 3dwb h ILE 395 CO -0.02 0.20 -0.01 -0.25 -0.68 0.00 0.00 178.15 177.39 3dwb h TRP 396 N 0.19 -0.08 -0.27 1.37 2.91 -0.76 0.57 115.95 119.88 3dwb h TRP 396 Ca 0.07 0.05 0.05 0.00 1.13 0.00 0.00 58.89 60.20 3dwb h TRP 396 Cb 0.25 0.15 -0.05 0.00 -0.51 0.00 0.00 29.16 29.00 3dwb h TRP 396 CO 0.01 -0.23 -0.06 -0.91 -1.03 0.00 0.00 178.44 176.22 3dwb h ASN 397 N 0.10 -0.24 -0.89 2.65 2.35 -0.89 0.89 115.58 119.55 3dwb h ASN 397 Ca 0.38 0.08 0.15 0.00 -0.55 0.00 0.00 56.30 56.36 3dwb h ASN 397 Cb 0.65 0.16 -0.09 0.00 0.05 0.00 0.00 38.32 39.09 3dwb h ASN 397 CO -0.63 -0.08 0.49 0.25 -1.65 0.00 0.00 177.43 175.80 3dwb h LEU 398 N 0.01 0.62 -0.27 1.61 5.85 0.15 -1.34 115.31 121.95 3dwb h LEU 398 Ca 0.13 0.08 -0.20 0.00 0.84 0.00 0.00 57.88 58.74 3dwb h LEU 398 Cb 0.20 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.21 3dwb h LEU 398 CO -0.27 0.27 -0.61 -0.37 -0.34 0.00 0.00 178.44 177.12 3dwb h VAL 399 N 0.70 1.28 -0.81 1.05 -1.51 0.12 -2.34 116.25 114.73 3dwb h VAL 399 Ca 0.48 -1.80 0.03 0.00 -1.23 0.00 0.00 66.70 64.18 3dwb h VAL 399 Cb 0.65 1.73 -0.05 0.00 -2.13 0.00 0.00 31.29 31.49 3dwb h VAL 399 CO -0.34 0.58 0.52 0.03 -1.23 0.00 0.00 177.57 177.13 3dwb h ARG 400 N 0.63 0.99 0.00 5.19 2.47 -0.20 -0.01 114.38 123.45 3dwb h ARG 400 Ca -0.00 -0.06 -0.01 0.00 -1.26 0.00 0.00 59.98 58.64 3dwb h ARG 400 Cb 1.23 -0.22 -0.00 0.00 -1.65 0.00 0.00 29.97 29.32 3dwb h ARG 400 CO 0.13 0.66 -0.05 -0.22 0.56 0.00 0.00 179.97 181.05 3dwb h LYS 401 N 1.02 0.00 0.00 0.04 1.63 -1.15 -3.39 116.57 114.72 3dwb h LYS 401 Ca 0.32 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 60.11 3dwb h LYS 401 Cb -0.01 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.62 3dwb h LYS 401 CO -0.11 0.05 -1.04 2.41 -3.45 0.00 0.00 179.45 177.32 3dwb n THR 402 N -3.47 0.04 -0.27 1.00 -1.04 -0.45 -4.71 114.28 105.38 3dwb n THR 402 Ca -0.02 -0.02 0.23 0.00 -2.04 0.00 0.00 64.05 62.20 3dwb n THR 402 Cb 0.17 -0.93 0.57 0.00 -1.82 0.00 0.00 70.33 68.32 3dwb n THR 402 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 3dwb h SER 403 N 0.00 0.32 -0.37 8.00 0.02 -1.26 -1.08 113.55 119.18 3dwb h SER 403 Ca -0.02 0.05 0.11 0.00 -0.84 0.00 0.00 61.79 61.09 3dwb h SER 403 Cb 1.03 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.55 3dwb h SER 403 CO 0.00 0.10 0.49 0.77 -1.14 0.00 0.00 176.83 177.04 3dwb h SER 404 N 0.30 0.00 -0.13 3.07 4.64 -1.84 -2.19 113.55 117.41 3dwb h SER 404 Ca 0.52 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.84 3dwb h SER 404 Cb 1.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.57 3dwb h SER 404 CO -0.18 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.27 3dwb n PHE 405 N -3.50 0.14 -1.40 4.77 3.01 -0.41 -4.91 117.46 115.17 3dwb n PHE 405 Ca 0.06 -0.07 0.00 0.00 1.01 0.00 0.00 57.45 58.45 3dwb n PHE 405 Cb 0.64 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.11 3dwb n PHE 405 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 3dwb n LEU 406 N 0.93 0.00 0.00 4.37 4.77 -0.82 -4.36 117.00 121.88 3dwb n LEU 406 Ca 0.17 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.93 3dwb n LEU 406 Cb 0.50 0.00 0.14 0.00 -2.33 0.00 0.00 43.42 41.73 3dwb n LEU 406 CO 0.15 0.00 0.62 -0.90 -1.33 0.00 0.00 177.39 175.93 3dwb n ASP 407 N 0.00 0.36 0.00 -1.43 5.68 -1.26 -4.87 116.55 115.03 3dwb n ASP 407 Ca 0.00 -1.53 0.09 0.00 -0.50 0.00 0.00 54.79 52.85 3dwb n ASP 407 Cb 0.00 -0.72 0.44 0.00 -1.14 0.00 0.00 41.12 39.70 3dwb n ASP 407 CO 0.00 0.00 0.00 1.67 -1.33 0.00 0.00 177.20 177.54 3dwb n GLN 408 N -2.99 0.24 0.13 0.11 -0.06 -1.26 -1.65 117.38 111.89 3dwb n GLN 408 Ca 0.13 0.12 -0.02 0.00 -2.00 0.00 0.00 57.00 55.24 3dwb n GLN 408 Cb 0.46 -1.50 0.18 0.00 -4.06 0.00 0.00 30.24 25.32 3dwb n GLN 408 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3dwb h ARG 409 N 0.00 0.06 0.00 3.69 3.08 -2.00 -2.95 114.38 116.26 3dwb h ARG 409 Ca 0.00 -0.04 -0.09 0.00 0.07 0.00 0.00 59.98 59.92 3dwb h ARG 409 Cb 0.17 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 3dwb h ARG 409 CO 0.00 0.62 -0.52 0.74 -1.07 0.00 0.00 179.97 179.75 3dwb h PHE 410 N 0.04 0.00 -0.83 3.04 -1.00 -1.66 -3.04 116.94 113.49 3dwb h PHE 410 Ca -0.01 0.00 0.19 0.00 2.81 0.00 0.00 57.97 60.97 3dwb h PHE 410 Cb 1.04 0.00 -0.15 0.00 3.61 0.00 0.00 35.95 40.45 3dwb h PHE 410 CO 0.01 1.15 -0.06 1.96 -1.61 0.00 0.00 178.31 179.75 3dwb h GLN 411 N -1.00 0.05 -0.42 1.51 4.20 -1.65 0.89 115.11 118.68 3dwb h GLN 411 Ca -0.14 -0.00 0.09 0.00 0.06 0.00 0.00 58.65 58.65 3dwb h GLN 411 Cb 1.08 -0.01 -0.08 0.00 0.30 0.00 0.00 27.48 28.77 3dwb h GLN 411 CO -0.09 0.03 -0.14 0.22 -0.67 0.00 0.00 178.83 178.19 3dwb h ASP 412 N 0.05 -0.50 -0.60 1.46 -0.00 -1.63 0.61 116.42 115.81 3dwb h ASP 412 Ca 0.45 0.14 0.06 0.00 -0.00 0.00 0.00 57.03 57.68 3dwb h ASP 412 Cb 0.79 0.30 -0.06 0.00 -0.00 0.00 0.00 39.33 40.37 3dwb h ASP 412 CO -0.79 -0.18 0.30 0.00 -0.00 0.00 0.00 179.24 178.58 3dwb h ALA 413 N 1.34 0.79 -0.48 -0.78 0.00 0.74 0.11 119.26 120.97 3dwb h ALA 413 Ca 0.21 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 55.03 3dwb h ALA 413 Cb 0.36 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3dwb h ALA 413 CO -0.46 -0.06 -0.18 -0.44 0.00 0.00 0.00 179.25 178.11 3dwb h ASP 414 N 0.56 0.99 0.40 0.00 3.32 0.26 -2.48 116.42 119.46 3dwb h ASP 414 Ca 0.28 -0.39 -0.02 0.00 0.02 0.00 0.00 57.03 56.92 3dwb h ASP 414 Cb 0.22 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.50 3dwb h ASP 414 CO -0.20 1.15 -0.19 -0.08 -1.72 0.00 0.00 179.24 178.20 3dwb h GLU 415 N 0.82 -0.51 -0.42 3.56 4.81 0.53 -2.19 114.58 121.17 3dwb h GLU 415 Ca 0.11 0.03 0.09 0.00 -0.13 0.00 0.00 59.36 59.46 3dwb h GLU 415 Cb 0.76 0.12 -0.09 0.00 0.63 0.00 0.00 28.75 30.16 3dwb h GLU 415 CO 0.06 -0.25 -0.22 -0.22 -0.73 0.00 0.00 179.01 177.65 3dwb h LYS 416 N -0.71 -0.13 -0.75 1.92 3.64 -0.80 -1.11 116.57 118.63 3dwb h LYS 416 Ca -0.05 0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.28 3dwb h LYS 416 Cb 0.50 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.32 3dwb h LYS 416 CO 0.09 -0.09 0.27 0.35 -2.27 0.00 0.00 179.45 177.80 3dwb h PHE 417 N -0.14 1.17 0.00 1.91 3.57 -1.43 -2.22 116.94 119.80 3dwb h PHE 417 Ca 0.20 -0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.60 3dwb h PHE 417 Cb 0.45 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 38.85 3dwb h PHE 417 CO -0.46 0.90 0.00 0.52 -2.23 0.00 0.00 178.31 177.04 3dwb h MET 418 N 1.09 0.00 0.00 1.11 2.86 -0.71 0.64 114.93 119.92 3dwb h MET 418 Ca 0.25 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.89 3dwb h MET 418 Cb 0.26 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.92 3dwb h MET 418 CO -0.01 0.00 0.00 0.93 1.06 0.00 0.00 176.91 178.89 3dwb h GLU 419 N 0.00 0.00 0.00 1.72 5.08 -0.59 -3.12 114.58 117.67 3dwb h GLU 419 Ca 0.00 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.12 3dwb h GLU 419 Cb 0.40 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.61 3dwb h GLU 419 CO 0.00 0.00 -2.02 0.28 -1.00 0.00 0.00 179.01 176.27 3dwb n VAL 420 N -2.60 1.08 -0.02 3.13 0.31 0.73 -5.12 118.33 115.84 3dwb n VAL 420 Ca 0.03 -0.74 -0.01 0.00 -0.01 0.00 0.00 64.34 63.61 3dwb n VAL 420 Cb 0.35 -0.48 -0.00 0.00 -0.91 0.00 0.00 33.84 32.80 3dwb n VAL 420 CO 0.00 0.00 0.00 -0.03 -1.32 0.00 0.00 176.83 175.48 3dwb h MET 421 N 0.00 0.00 -1.83 5.55 1.85 0.16 -3.49 114.93 117.17 3dwb h MET 421 Ca -0.32 0.00 -0.66 0.00 -0.61 0.00 0.00 59.70 58.11 3dwb h MET 421 Cb 1.81 0.00 -0.24 0.00 0.43 0.00 0.00 31.60 33.60 3dwb h MET 421 CO 0.03 0.00 0.83 1.87 -0.40 0.00 0.00 176.91 179.24 3dwb n TRP 432 N -3.14 2.58 0.11 1.39 -0.00 -1.26 -4.98 117.44 112.14 3dwb n TRP 432 Ca -0.01 -2.31 0.19 0.00 -0.00 0.00 0.00 57.50 55.37 3dwb n TRP 432 Cb 0.05 -1.26 0.76 0.00 -0.00 0.00 0.00 31.31 30.86 3dwb n TRP 432 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 177.69 178.56 3dwb h LYS 433 N 2.77 0.00 0.00 5.87 1.57 -2.03 -3.34 116.57 121.41 3dwb h LYS 433 Ca 0.51 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.29 3dwb h LYS 433 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.67 3dwb h LYS 433 CO 1.28 0.00 0.00 0.34 -0.57 0.00 0.00 179.45 180.50 3dwb n PHE 434 N -3.92 0.00 0.01 -1.35 7.35 -1.26 -0.00 117.46 118.28 3dwb n PHE 434 Ca 0.06 0.00 0.10 0.00 -0.76 0.00 0.00 57.45 56.84 3dwb n PHE 434 Cb 0.50 -0.14 0.21 0.00 0.35 0.00 0.00 39.48 40.41 3dwb n PHE 434 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3dwb h VAL 436 N 3.59 1.27 0.76 0.00 2.07 -0.71 -1.53 116.25 121.70 3dwb h VAL 436 Ca 0.00 -1.27 -0.04 0.00 0.82 0.00 0.00 66.70 66.21 3dwb h VAL 436 Cb 0.87 1.11 0.00 0.00 -1.52 0.00 0.00 31.29 31.76 3dwb h VAL 436 CO 0.00 0.43 -0.40 0.77 0.02 0.00 0.00 177.57 178.39 3dwb h SER 437 N 0.73 -0.97 -0.73 0.57 4.64 -1.45 -2.13 113.55 114.21 3dwb h SER 437 Ca 0.11 0.04 0.16 0.00 -0.47 0.00 0.00 61.79 61.63 3dwb h SER 437 Cb 0.68 0.26 -0.12 0.00 -0.31 0.00 0.00 62.40 62.91 3dwb h SER 437 CO 0.05 -0.65 0.07 -0.78 -0.87 0.00 0.00 176.83 174.64 3dwb h ASP 438 N -1.07 -0.21 -0.51 4.97 3.58 -1.54 0.45 116.42 122.09 3dwb h ASP 438 Ca -0.10 0.17 -0.02 0.00 0.42 0.00 0.00 57.03 57.50 3dwb h ASP 438 Cb 0.83 0.28 -0.02 0.00 1.72 0.00 0.00 39.33 42.14 3dwb h ASP 438 CO 0.15 -0.12 0.25 0.74 -2.88 0.00 0.00 179.24 177.37 3dwb h THR 439 N 0.16 1.19 0.02 2.25 2.02 -1.29 -1.27 112.91 115.99 3dwb h THR 439 Ca 0.40 -0.55 -0.00 0.00 0.77 0.00 0.00 66.41 67.03 3dwb h THR 439 Cb 0.70 0.61 0.00 0.00 -1.74 0.00 0.00 68.15 67.73 3dwb h THR 439 CO -0.59 0.22 -0.01 -0.08 0.37 0.00 0.00 175.52 175.43 3dwb h GLU 440 N 0.68 -0.03 -0.54 6.66 4.22 -0.32 0.38 114.58 125.63 3dwb h GLU 440 Ca 0.18 0.00 0.09 0.00 0.08 0.00 0.00 59.36 59.71 3dwb h GLU 440 Cb 0.12 0.01 -0.11 0.00 0.50 0.00 0.00 28.75 29.27 3dwb h GLU 440 CO -0.02 0.10 -0.39 -0.97 -2.18 0.00 0.00 179.01 175.55 3dwb h ASN 441 N -0.15 -1.33 0.22 1.04 -0.73 0.28 0.12 115.58 115.03 3dwb h ASN 441 Ca -0.00 0.23 -0.35 0.00 1.87 0.00 0.00 56.30 58.05 3dwb h ASN 441 Cb 0.14 0.62 -0.01 0.00 0.27 0.00 0.00 38.32 39.34 3dwb h ASN 441 CO 0.00 -0.33 -1.82 0.78 -0.37 0.00 0.00 177.43 175.69 3dwb h ASN 442 N -0.22 0.46 -0.00 1.15 -0.26 -1.21 -3.39 115.58 112.10 3dwb h ASN 442 Ca 0.19 -0.82 -0.00 0.00 -0.56 0.00 0.00 56.30 55.11 3dwb h ASN 442 Cb 0.56 -0.15 -0.00 0.00 -1.06 0.00 0.00 38.32 37.67 3dwb h ASN 442 CO -0.66 1.71 -0.41 0.18 -1.06 0.00 0.00 177.43 177.20 3dwb n LEU 443 N -3.48 2.66 -0.21 1.61 4.77 0.13 -4.78 117.00 117.69 3dwb n LEU 443 Ca -0.26 -3.76 0.06 0.00 -0.03 0.00 0.00 56.01 52.02 3dwb n LEU 443 Cb 1.06 -0.51 0.33 0.00 -2.33 0.00 0.00 43.42 41.96 3dwb n LEU 443 CO 0.47 1.28 1.22 1.23 -1.33 0.00 0.00 177.39 180.27 3dwb h GLY 444 N 0.82 1.05 2.00 -0.72 0.00 -0.67 0.20 103.07 105.75 3dwb h GLY 444 Ca 0.00 -0.33 -0.11 0.00 0.00 0.00 0.00 47.33 46.89 3dwb h GLY 444 CO 0.00 0.24 -0.51 0.74 0.00 0.00 0.00 176.54 177.01 3dwb h PHE 445 N 0.82 0.00 -0.56 5.60 0.04 -1.86 -2.31 116.94 118.66 3dwb h PHE 445 Ca 0.34 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.11 3dwb h PHE 445 Cb 0.26 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.38 3dwb h PHE 445 CO -0.00 0.51 0.37 0.00 -0.60 0.00 0.00 178.31 178.58 3dwb h ALA 446 N 1.49 1.59 0.00 2.45 0.00 -0.96 -3.02 119.26 120.81 3dwb h ALA 446 Ca -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3dwb h ALA 446 Cb 1.04 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.60 3dwb h ALA 446 CO 0.07 0.38 -0.61 1.28 0.00 0.00 0.00 179.25 180.37 3dwb n LEU 447 N -4.44 0.66 0.05 0.00 4.77 -0.75 -4.00 117.00 113.28 3dwb n LEU 447 Ca 0.05 0.20 -0.13 0.00 -0.03 0.00 0.00 56.01 56.11 3dwb n LEU 447 Cb 0.05 -0.20 -0.06 0.00 -2.33 0.00 0.00 43.42 40.88 3dwb n LEU 447 CO 0.36 -0.03 0.60 1.23 -1.33 0.00 0.00 177.39 178.21 3dwb h GLY 448 N 4.58 -0.71 0.01 -0.72 0.00 -1.28 0.35 103.07 105.29 3dwb h GLY 448 Ca 0.00 0.49 0.11 0.00 0.00 0.00 0.00 47.33 47.93 3dwb h GLY 448 CO 0.00 -0.24 -0.05 -2.55 0.00 0.00 0.00 176.54 173.70 3dwb h PRO 449 N -0.54 0.07 -0.10 4.80 0.11 -1.80 0.34 132.00 134.88 3dwb h PRO 449 Ca 0.06 -0.00 0.04 0.00 0.11 0.00 0.00 66.00 66.20 3dwb h PRO 449 Cb 0.63 -0.02 -0.04 0.00 0.11 0.00 0.00 31.00 31.68 3dwb h PRO 449 CO -0.32 0.04 -0.15 0.52 -0.21 0.00 0.00 178.00 177.88 3dwb h MET 450 N 0.07 -0.20 -0.50 1.05 2.86 -1.56 -1.15 114.93 115.50 3dwb h MET 450 Ca 0.27 0.01 0.06 0.00 -2.06 0.00 0.00 59.70 57.99 3dwb h MET 450 Cb 0.43 0.05 -0.05 0.00 0.06 0.00 0.00 31.60 32.08 3dwb h MET 450 CO -0.50 -0.13 0.19 0.35 1.06 0.00 0.00 176.91 177.88 3dwb h PHE 451 N -0.21 0.35 0.00 -0.22 3.04 0.28 -2.55 116.94 117.63 3dwb h PHE 451 Ca 0.08 0.02 -0.21 0.00 3.98 0.00 0.00 57.97 61.84 3dwb h PHE 451 Cb 0.32 -0.08 -0.03 0.00 2.56 0.00 0.00 35.95 38.72 3dwb h PHE 451 CO -0.25 0.13 -1.17 -0.39 -2.02 0.00 0.00 178.31 174.61 3dwb h VAL 452 N 0.38 1.22 -0.53 1.41 -1.51 -0.24 -1.46 116.25 115.52 3dwb h VAL 452 Ca 0.24 -2.89 0.10 0.00 -1.23 0.00 0.00 66.70 62.91 3dwb h VAL 452 Cb 0.23 2.58 -0.08 0.00 -2.13 0.00 0.00 31.29 31.89 3dwb h VAL 452 CO -0.23 0.69 0.05 0.11 -1.23 0.00 0.00 177.57 176.97 3dwb h LYS 453 N 0.00 0.17 -0.17 5.19 1.57 -1.03 0.48 116.57 122.78 3dwb h LYS 453 Ca -0.10 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.61 3dwb h LYS 453 Cb 1.76 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 34.03 3dwb h LYS 453 CO 0.10 0.11 -0.12 0.00 -0.57 0.00 0.00 179.45 178.97 3dwb h ALA 454 N 1.45 0.25 0.00 3.86 0.00 -1.37 -3.39 119.26 120.06 3dwb h ALA 454 Ca 0.27 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3dwb h ALA 454 Cb 0.40 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3dwb h ALA 454 CO -0.40 0.10 -1.53 0.25 0.00 0.00 0.00 179.25 177.67 3dwb n THR 455 N -4.56 0.00 -3.92 0.00 -2.24 -0.56 -4.91 114.28 98.08 3dwb n THR 455 Ca -0.05 -0.32 -0.30 0.00 -2.27 0.00 0.00 64.05 61.10 3dwb n THR 455 Cb 0.34 0.33 -0.15 0.00 -2.10 0.00 0.00 70.33 68.75 3dwb n THR 455 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 3dwb s PHE 456 N -3.01 3.09 0.25 4.78 2.19 0.15 -5.04 117.98 120.38 3dwb s PHE 456 Ca -0.03 -2.78 -0.30 0.00 0.33 0.00 0.00 56.93 54.15 3dwb s PHE 456 Cb 0.11 -2.59 -0.14 0.00 -1.31 0.00 0.00 43.02 39.09 3dwb s PHE 456 CO 0.69 -0.87 1.17 0.00 1.83 0.00 0.00 175.22 178.04 3dwb n ALA 457 N 3.99 0.07 0.15 11.12 0.00 -1.26 -4.70 120.51 129.88 3dwb n ALA 457 Ca 0.04 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.89 3dwb n ALA 457 Cb 0.39 -2.10 0.24 0.00 0.00 0.00 0.00 19.45 17.97 3dwb n ALA 457 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3dwb h GLU 458 N 2.93 0.00 -0.93 0.00 4.39 -1.98 0.13 114.58 119.12 3dwb h GLU 458 Ca -0.42 0.00 0.29 0.00 0.34 0.00 0.00 59.36 59.57 3dwb h GLU 458 Cb 1.32 0.00 -0.17 0.00 -0.10 0.00 0.00 28.75 29.80 3dwb h GLU 458 CO 0.67 0.53 0.13 -3.47 -1.16 0.00 0.00 179.01 175.71 3dwb n ASP 459 N -3.86 -0.01 0.02 1.42 2.03 -1.26 -1.41 116.55 113.49 3dwb n ASP 459 Ca -0.01 1.58 0.02 0.00 0.52 0.00 0.00 54.79 56.89 3dwb n ASP 459 Cb 0.55 -0.62 0.36 0.00 -0.72 0.00 0.00 41.12 40.68 3dwb n ASP 459 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 3dwb h SER 460 N 0.00 0.43 -0.31 1.67 0.02 -1.31 -1.58 113.55 112.47 3dwb h SER 460 Ca 0.62 -0.06 -0.07 0.00 -0.84 0.00 0.00 61.79 61.44 3dwb h SER 460 Cb 1.39 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.81 3dwb h SER 460 CO -0.84 0.46 -0.09 0.50 -1.14 0.00 0.00 176.83 175.72 3dwb h LYS 461 N 0.46 0.61 -0.39 3.45 3.64 -1.31 -0.25 116.57 122.79 3dwb h LYS 461 Ca 0.11 -0.24 -0.03 0.00 -1.27 0.00 0.00 60.65 59.21 3dwb h LYS 461 Cb 0.22 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.99 3dwb h LYS 461 CO -0.00 0.80 0.11 1.03 -2.27 0.00 0.00 179.45 179.12 3dwb h SER 462 N 0.38 0.57 -0.32 4.20 0.87 -1.31 0.69 113.55 118.63 3dwb h SER 462 Ca 0.08 -0.22 -0.11 0.00 -1.23 0.00 0.00 61.79 60.31 3dwb h SER 462 Cb 0.58 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.39 3dwb h SER 462 CO 0.03 0.64 -0.24 0.40 -0.53 0.00 0.00 176.83 177.14 3dwb h ILE 463 N 0.48 1.29 -0.21 2.23 2.04 -1.27 -1.44 117.51 120.64 3dwb h ILE 463 Ca 0.12 -1.38 -0.03 0.00 1.00 0.00 0.00 64.86 64.57 3dwb h ILE 463 Cb 0.28 1.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.83 3dwb h ILE 463 CO -0.00 0.45 0.00 0.00 0.00 0.00 0.00 178.15 178.60 3dwb h ALA 464 N 0.74 1.62 -0.36 1.87 0.00 -0.92 -0.24 119.26 121.98 3dwb h ALA 464 Ca 0.06 -0.13 -0.14 0.00 0.00 0.00 0.00 54.91 54.70 3dwb h ALA 464 Cb 0.79 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 3dwb h ALA 464 CO 0.06 0.29 -0.35 1.15 0.00 0.00 0.00 179.25 180.40 3dwb h THR 465 N 0.30 1.28 -0.41 0.00 2.02 -0.44 -1.01 112.91 114.65 3dwb h THR 465 Ca 0.07 -1.52 -0.10 0.00 0.77 0.00 0.00 66.41 65.63 3dwb h THR 465 Cb 0.20 1.38 -0.01 0.00 -1.74 0.00 0.00 68.15 67.98 3dwb h THR 465 CO 0.00 0.50 -0.15 -0.08 0.37 0.00 0.00 175.52 176.16 3dwb h GLU 466 N 0.68 0.83 -0.91 6.66 4.57 -0.31 -2.28 114.58 123.81 3dwb h GLU 466 Ca 0.06 -0.34 0.01 0.00 -1.18 0.00 0.00 59.36 57.91 3dwb h GLU 466 Cb 0.91 -0.03 -0.05 0.00 -0.16 0.00 0.00 28.75 29.42 3dwb h GLU 466 CO 0.08 0.97 0.61 0.82 -1.18 0.00 0.00 179.01 180.31 3dwb h ILE 467 N 0.65 1.23 -0.02 2.32 2.04 -1.01 -1.25 117.51 121.47 3dwb h ILE 467 Ca 0.10 -0.42 -0.00 0.00 1.00 0.00 0.00 64.86 65.53 3dwb h ILE 467 Cb 0.70 -0.11 -0.00 0.00 -0.74 0.00 0.00 36.82 36.67 3dwb h ILE 467 CO 0.05 0.23 0.01 0.40 0.00 0.00 0.00 178.15 178.83 3dwb h ILE 468 N 1.24 1.17 -0.74 -0.67 2.04 -1.09 -1.95 117.51 117.51 3dwb h ILE 468 Ca 0.34 -0.49 0.16 0.00 1.00 0.00 0.00 64.86 65.87 3dwb h ILE 468 Cb -0.14 1.47 -0.11 0.00 -0.74 0.00 0.00 36.82 37.30 3dwb h ILE 468 CO -0.07 0.13 0.15 -0.07 0.00 0.00 0.00 178.15 178.29 3dwb h LEU 469 N -0.17 -0.04 -0.95 1.44 3.38 -1.06 -0.54 115.31 117.37 3dwb h LEU 469 Ca 0.01 0.15 -0.10 0.00 0.09 0.00 0.00 57.88 58.03 3dwb h LEU 469 Cb 0.21 0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 3dwb h LEU 469 CO -0.00 -0.06 -0.29 -0.33 0.09 0.00 0.00 178.44 177.85 3dwb h GLU 470 N 0.24 0.42 -0.05 1.13 5.08 -0.90 -0.07 114.58 120.43 3dwb h GLU 470 Ca 0.42 -0.17 -0.05 0.00 -1.00 0.00 0.00 59.36 58.56 3dwb h GLU 470 Cb 0.72 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.95 3dwb h GLU 470 CO -0.53 0.67 -0.15 0.82 -1.00 0.00 0.00 179.01 178.82 3dwb h ILE 471 N 0.37 1.45 -0.42 3.13 1.08 -0.69 -2.30 117.51 120.12 3dwb h ILE 471 Ca 0.05 -1.56 0.09 0.00 -0.39 0.00 0.00 64.86 63.05 3dwb h ILE 471 Cb 0.70 2.35 -0.09 0.00 -3.07 0.00 0.00 36.82 36.71 3dwb h ILE 471 CO 0.05 0.43 -0.18 0.50 -0.69 0.00 0.00 178.15 178.26 3dwb h LYS 472 N -0.35 -0.10 -0.19 2.37 3.64 -1.03 0.15 116.57 121.06 3dwb h LYS 472 Ca -0.01 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.43 3dwb h LYS 472 Cb 0.78 0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 32.55 3dwb h LYS 472 CO 0.03 -0.06 -0.46 -0.22 -2.27 0.00 0.00 179.45 176.47 3dwb h LYS 473 N -0.10 -0.46 -0.62 1.90 3.64 -0.98 0.33 116.57 120.27 3dwb h LYS 473 Ca 0.20 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.62 3dwb h LYS 473 Cb 0.41 0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.31 3dwb h LYS 473 CO -0.49 -0.31 0.40 0.00 -2.27 0.00 0.00 179.45 176.79 3dwb h ALA 474 N 0.07 0.79 -0.34 5.00 0.00 -1.01 -0.33 119.26 123.44 3dwb h ALA 474 Ca 0.08 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.00 3dwb h ALA 474 Cb 0.63 -0.25 -0.06 0.00 0.00 0.00 0.00 17.79 18.11 3dwb h ALA 474 CO -0.45 0.23 -0.03 0.35 0.00 0.00 0.00 179.25 179.36 3dwb h PHE 475 N 0.84 -0.07 -0.70 0.00 3.04 0.09 -0.84 116.94 119.30 3dwb h PHE 475 Ca 0.23 0.03 -0.03 0.00 3.98 0.00 0.00 57.97 62.17 3dwb h PHE 475 Cb -0.08 0.08 -0.03 0.00 2.56 0.00 0.00 35.95 38.48 3dwb h PHE 475 CO -0.03 -0.09 0.32 0.93 -2.02 0.00 0.00 178.31 177.42 3dwb h GLU 476 N 0.06 1.01 -0.40 1.11 5.08 0.20 0.18 114.58 121.83 3dwb h GLU 476 Ca 0.16 -0.15 -0.05 0.00 -1.00 0.00 0.00 59.36 58.32 3dwb h GLU 476 Cb 0.23 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 3dwb h GLU 476 CO -0.30 0.79 0.02 0.93 -1.00 0.00 0.00 179.01 179.46 3dwb h GLU 477 N 1.00 0.63 -0.64 2.33 5.08 -0.63 -0.94 114.58 121.41 3dwb h GLU 477 Ca 0.24 -0.14 -0.09 0.00 -1.00 0.00 0.00 59.36 58.37 3dwb h GLU 477 Cb 0.13 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 3dwb h GLU 477 CO -0.03 0.64 0.05 1.03 -1.00 0.00 0.00 179.01 179.70 3dwb h SER 478 N 0.60 1.07 -0.35 1.42 0.87 -0.63 -3.17 113.55 113.36 3dwb h SER 478 Ca 0.13 -0.28 0.03 0.00 -1.23 0.00 0.00 61.79 60.43 3dwb h SER 478 Cb 0.35 -0.29 -0.02 0.00 -0.44 0.00 0.00 62.40 62.01 3dwb h SER 478 CO 0.01 1.09 0.24 -0.07 -0.53 0.00 0.00 176.83 177.57 3dwb h LEU 479 N 1.02 0.31 -0.66 2.23 3.38 0.28 -2.16 115.31 119.70 3dwb h LEU 479 Ca 0.19 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 3dwb h LEU 479 Cb 0.51 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.19 3dwb h LEU 479 CO 0.02 0.21 0.00 -1.28 0.09 0.00 0.00 178.44 177.49 3dwb h SER 480 N 0.36 0.00 -0.01 -0.43 0.87 -1.20 -3.24 113.55 109.90 3dwb h SER 480 Ca 0.14 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.70 3dwb h SER 480 Cb 0.14 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.10 3dwb h SER 480 CO -0.03 0.00 -0.10 0.41 -0.53 0.00 0.00 176.83 176.57 3dwb n THR 481 N -2.90 0.00 -2.29 2.23 -1.04 -0.85 -5.02 114.28 104.41 3dwb n THR 481 Ca 0.03 -0.45 -0.42 0.00 -2.04 0.00 0.00 64.05 61.16 3dwb n THR 481 Cb 0.40 1.11 -0.03 0.00 -1.82 0.00 0.00 70.33 69.99 3dwb n THR 481 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3dwb s LEU 482 N -1.19 4.27 0.37 -4.42 1.43 -0.98 -4.92 118.68 113.25 3dwb s LEU 482 Ca 0.07 1.96 0.20 0.00 -1.03 0.00 0.00 54.13 55.33 3dwb s LEU 482 Cb 0.06 -3.55 0.25 0.00 0.03 0.00 0.00 46.19 42.98 3dwb s LEU 482 CO 0.15 -0.74 1.55 0.11 0.23 0.00 0.00 176.35 177.65 3dwb h LYS 483 N 8.13 0.00 0.00 1.70 1.57 -1.94 -3.18 116.57 122.85 3dwb h LYS 483 Ca -0.34 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.44 3dwb h LYS 483 Cb 1.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.46 3dwb h LYS 483 CO 0.93 0.22 0.00 0.11 -0.57 0.00 0.00 179.45 180.13 3dwb h TRP 484 N 0.00 0.00 -2.82 -1.35 5.08 -1.96 -3.44 115.95 111.45 3dwb h TRP 484 Ca -0.00 0.00 -0.64 0.00 1.08 0.00 0.00 58.89 59.32 3dwb h TRP 484 Cb 1.15 0.00 -0.07 0.00 -3.00 0.00 0.00 29.16 27.25 3dwb h TRP 484 CO 0.00 0.00 -0.38 -1.64 -1.28 0.00 0.00 178.44 175.14 3dwb s MET 485 N -3.16 3.67 1.00 0.12 -1.94 -1.20 -4.86 119.30 112.92 3dwb s MET 485 Ca 0.09 0.07 -0.12 0.00 -1.71 0.00 0.00 55.69 54.02 3dwb s MET 485 Cb 0.09 -3.22 0.19 0.00 2.01 0.00 0.00 34.83 33.89 3dwb s MET 485 CO 0.63 0.71 1.08 0.16 -0.01 0.00 0.00 175.02 177.59 3dwb s ASP 486 N -0.92 2.44 0.33 3.03 3.84 -1.26 -4.80 116.67 119.32 3dwb s ASP 486 Ca 0.18 1.67 0.06 0.00 -0.00 0.00 0.00 52.55 54.45 3dwb s ASP 486 Cb -0.14 -2.31 0.59 0.00 -1.38 0.00 0.00 42.92 39.68 3dwb s ASP 486 CO 0.07 -3.32 1.82 1.05 -0.00 0.00 0.00 175.17 174.80 3dwb h GLU 487 N -2.02 0.38 0.01 2.11 4.11 -1.99 -1.13 114.58 116.05 3dwb h GLU 487 Ca -0.52 -0.11 -0.00 0.00 0.07 0.00 0.00 59.36 58.80 3dwb h GLU 487 Cb 1.30 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.51 3dwb h GLU 487 CO 0.50 0.54 -0.00 1.49 0.07 0.00 0.00 179.01 181.61 3dwb h GLU 488 N 0.35 -0.01 -0.69 1.06 4.81 -1.99 -0.17 114.58 117.94 3dwb h GLU 488 Ca 0.06 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 3dwb h GLU 488 Cb 0.50 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.85 3dwb h GLU 488 CO 0.03 0.13 0.43 1.15 -0.73 0.00 0.00 179.01 180.02 3dwb h THR 489 N -0.15 1.19 -0.68 0.32 2.02 -1.82 -2.14 112.91 111.65 3dwb h THR 489 Ca -0.00 -0.39 0.07 0.00 0.77 0.00 0.00 66.41 66.86 3dwb h THR 489 Cb 0.14 0.22 -0.04 0.00 -1.74 0.00 0.00 68.15 66.73 3dwb h THR 489 CO 0.00 0.19 0.45 0.03 0.37 0.00 0.00 175.52 176.56 3dwb h ARG 490 N 0.93 0.63 -0.47 6.66 3.08 -0.94 -1.75 114.38 122.53 3dwb h ARG 490 Ca 0.25 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 60.21 3dwb h ARG 490 Cb -0.06 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 29.83 3dwb h ARG 490 CO -0.05 0.42 0.08 -0.22 -1.07 0.00 0.00 179.97 179.13 3dwb h LYS 491 N 0.65 0.77 -0.32 0.04 3.64 -0.40 -1.76 116.57 119.20 3dwb h LYS 491 Ca 0.30 -0.20 -0.05 0.00 -1.27 0.00 0.00 60.65 59.43 3dwb h LYS 491 Cb 0.33 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 3dwb h LYS 491 CO -0.10 0.78 0.02 0.77 -2.27 0.00 0.00 179.45 178.65 3dwb h SER 492 N 0.64 0.54 -0.28 4.20 0.02 -0.97 -2.23 113.55 115.48 3dwb h SER 492 Ca 0.14 -0.29 0.04 0.00 -0.84 0.00 0.00 61.79 60.84 3dwb h SER 492 Cb 0.38 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 62.74 3dwb h SER 492 CO 0.01 0.70 0.05 0.00 -1.14 0.00 0.00 176.83 176.45 3dwb h ALA 493 N 0.86 0.28 -0.70 3.77 0.00 -1.30 -0.60 119.26 121.57 3dwb h ALA 493 Ca 0.09 0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.13 3dwb h ALA 493 Cb 0.41 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.22 3dwb h ALA 493 CO 0.01 -0.37 0.38 -0.22 0.00 0.00 0.00 179.25 179.06 3dwb h LYS 494 N 0.15 0.68 -0.73 0.00 3.64 -1.29 0.30 116.57 119.31 3dwb h LYS 494 Ca 0.13 -0.04 0.06 0.00 -1.27 0.00 0.00 60.65 59.52 3dwb h LYS 494 Cb 0.14 -0.15 -0.06 0.00 -0.41 0.00 0.00 32.23 31.75 3dwb h LYS 494 CO -0.18 0.45 0.43 0.93 -2.27 0.00 0.00 179.45 178.81 3dwb h GLU 495 N 0.70 0.77 -0.18 1.90 5.08 -0.76 0.70 114.58 122.78 3dwb h GLU 495 Ca 0.32 -0.05 -0.21 0.00 -1.00 0.00 0.00 59.36 58.42 3dwb h GLU 495 Cb 0.23 -0.17 0.01 0.00 0.50 0.00 0.00 28.75 29.31 3dwb h GLU 495 CO -0.20 0.51 -0.72 -0.22 -1.00 0.00 0.00 179.01 177.38 3dwb h LYS 496 N 0.80 0.82 0.29 2.33 3.64 -0.40 -2.82 116.57 121.23 3dwb h LYS 496 Ca 0.32 -0.63 0.00 0.00 -1.27 0.00 0.00 60.65 59.07 3dwb h LYS 496 Cb 0.16 0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 32.06 3dwb h LYS 496 CO -0.17 1.24 -0.53 0.00 -2.27 0.00 0.00 179.45 177.73 3dwb h ALA 497 N 0.58 -1.07 -1.24 5.00 0.00 0.18 -2.13 119.26 120.57 3dwb h ALA 497 Ca -0.04 -0.15 0.39 0.00 0.00 0.00 0.00 54.91 55.11 3dwb h ALA 497 Cb 1.35 0.83 -0.12 0.00 0.00 0.00 0.00 17.79 19.86 3dwb h ALA 497 CO 0.15 -1.16 0.80 -0.44 0.00 0.00 0.00 179.25 178.60 3dwb h ASP 498 N -0.88 0.29 0.31 0.00 3.32 0.42 0.44 116.42 120.33 3dwb h ASP 498 Ca -0.03 0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.14 3dwb h ASP 498 Cb 0.82 0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.46 3dwb h ASP 498 CO -0.19 -0.11 -0.20 0.00 -1.72 0.00 0.00 179.24 177.02 3dwb n ALA 499 N -2.52 2.96 -1.68 3.45 0.00 -0.90 -4.90 120.51 116.93 3dwb n ALA 499 Ca 0.34 -0.34 -0.45 0.00 0.00 0.00 0.00 53.44 52.98 3dwb n ALA 499 Cb 1.28 -1.22 -0.04 0.00 0.00 0.00 0.00 19.45 19.47 3dwb n ALA 499 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3dwb n ILE 500 N -0.82 0.25 -3.56 0.00 5.41 0.14 -4.95 119.36 115.84 3dwb n ILE 500 Ca 0.13 -0.05 -0.38 0.00 1.00 0.00 0.00 62.75 63.45 3dwb n ILE 500 Cb 0.32 -1.82 -0.06 0.00 -0.71 0.00 0.00 39.64 37.37 3dwb n ILE 500 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 176.55 176.08 3dwb s TYR 501 N 2.26 3.70 0.01 1.39 6.14 -0.56 -4.94 117.35 125.34 3dwb s TYR 501 Ca 0.83 0.91 0.09 0.00 0.64 0.00 0.00 57.07 59.54 3dwb s TYR 501 Cb -0.61 -2.24 -0.02 0.00 0.42 0.00 0.00 41.96 39.50 3dwb s TYR 501 CO 0.41 0.64 -0.26 0.54 0.64 0.00 0.00 175.55 177.52 3dwb s ASN 502 N -1.01 3.13 0.01 4.32 4.22 -1.26 -0.01 114.94 124.34 3dwb s ASN 502 Ca 0.22 -0.53 0.07 0.00 -2.14 0.00 0.00 52.86 50.48 3dwb s ASN 502 Cb -0.16 -0.32 -0.03 0.00 1.28 0.00 0.00 41.25 42.02 3dwb s ASN 502 CO 0.12 0.29 -0.19 -0.04 -2.04 0.00 0.00 177.10 175.23 3dwb s MET 503 N -0.93 2.17 -0.10 3.55 -1.94 -0.58 -4.97 119.30 116.49 3dwb s MET 503 Ca 0.11 -0.91 0.03 0.00 -1.71 0.00 0.00 55.69 53.21 3dwb s MET 503 Cb -0.10 -2.19 0.00 0.00 2.01 0.00 0.00 34.83 34.55 3dwb s MET 503 CO 0.01 0.56 -0.21 0.42 -0.01 0.00 0.00 175.02 175.79 3dwb s ILE 504 N -0.81 1.82 0.00 2.53 1.09 -1.26 -1.46 121.20 123.10 3dwb s ILE 504 Ca 0.13 -0.87 0.00 0.00 -1.10 0.00 0.00 60.65 58.81 3dwb s ILE 504 Cb -0.10 -1.59 0.00 0.00 -1.06 0.00 0.00 42.46 39.70 3dwb s ILE 504 CO 0.03 0.51 0.00 0.61 -0.10 0.00 0.00 174.94 175.98 3dwb n GLY 505 N 3.69 2.02 3.34 6.18 0.00 0.90 -4.77 105.19 116.55 3dwb n GLY 505 Ca -0.20 -0.19 -0.12 0.00 0.00 0.00 0.00 46.02 45.51 3dwb n GLY 505 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3dwb s TYR 506 N 0.00 -0.29 0.37 1.61 -0.85 -1.26 -1.22 117.35 115.70 3dwb s TYR 506 Ca 0.00 0.09 -0.25 0.00 -0.52 0.00 0.00 57.07 56.40 3dwb s TYR 506 Cb 0.00 0.30 -0.09 0.00 0.38 0.00 0.00 41.96 42.55 3dwb s TYR 506 CO 0.00 -0.69 1.01 -2.14 -1.52 0.00 0.00 175.55 172.22 3dwb s PRO 507 N -3.35 4.33 0.26 -3.49 0.02 -1.26 -4.97 135.00 126.54 3dwb s PRO 507 Ca -0.00 1.45 -0.02 0.00 0.02 0.00 0.00 61.00 62.44 3dwb s PRO 507 Cb 0.01 -2.64 0.47 0.00 0.02 0.00 0.00 34.50 32.36 3dwb s PRO 507 CO -0.09 0.02 1.79 -0.91 -0.33 0.00 0.00 177.00 177.48 3dwb h ASN 508 N 2.76 0.60 0.21 2.53 2.35 -1.96 -2.63 115.58 119.45 3dwb h ASN 508 Ca -0.48 0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 55.34 3dwb h ASN 508 Cb 1.20 -0.04 -0.00 0.00 0.05 0.00 0.00 38.32 39.54 3dwb h ASN 508 CO 0.63 0.30 -0.03 2.19 -1.65 0.00 0.00 177.43 178.87 3dwb h PHE 509 N 0.71 0.00 0.00 1.19 -0.00 -1.93 -1.86 116.94 115.05 3dwb h PHE 509 Ca 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.40 3dwb h PHE 509 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.47 3dwb h PHE 509 CO -0.07 0.03 0.00 -0.84 -0.00 0.00 0.00 178.31 177.43 3dwb h ILE 510 N 0.00 0.00 -0.20 0.88 3.07 -1.85 -2.82 117.51 116.59 3dwb h ILE 510 Ca -0.00 -0.85 0.00 0.00 1.55 0.00 0.00 64.86 65.56 3dwb h ILE 510 Cb 0.15 1.84 0.00 0.00 -0.27 0.00 0.00 36.82 38.54 3dwb h ILE 510 CO 0.00 0.00 0.00 0.23 -1.05 0.00 0.00 178.15 177.33 3dwb n MET 511 N -3.00 1.86 -3.78 0.16 2.81 -0.70 -4.54 117.12 109.93 3dwb n MET 511 Ca 0.03 -1.30 -0.36 0.00 -1.81 0.00 0.00 57.70 54.27 3dwb n MET 511 Cb 0.47 -1.41 -0.12 0.00 -0.71 0.00 0.00 33.22 31.45 3dwb n MET 511 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 3dwb s ASP 512 N -1.57 5.24 0.38 7.83 -1.08 -1.07 -5.01 116.67 121.39 3dwb s ASP 512 Ca 0.33 -1.95 0.10 0.00 -0.52 0.00 0.00 52.55 50.51 3dwb s ASP 512 Cb 0.18 -1.82 0.85 0.00 -1.46 0.00 0.00 42.92 40.67 3dwb s ASP 512 CO 0.27 -0.52 1.91 -0.65 0.52 0.00 0.00 175.17 176.70 3dwb h PRO 513 N 8.05 0.62 -0.37 4.34 0.11 -1.82 0.34 132.00 143.28 3dwb h PRO 513 Ca -0.14 -0.04 0.07 0.00 0.11 0.00 0.00 66.00 66.01 3dwb h PRO 513 Cb 1.05 -0.14 -0.07 0.00 0.11 0.00 0.00 31.00 31.95 3dwb h PRO 513 CO 0.69 0.41 -0.06 0.87 -0.21 0.00 0.00 178.00 179.69 3dwb h LYS 514 N 0.64 0.03 -0.12 1.05 1.57 -1.95 0.30 116.57 118.09 3dwb h LYS 514 Ca 0.39 -0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 59.03 3dwb h LYS 514 Cb 0.61 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.91 3dwb h LYS 514 CO -0.15 0.02 -0.45 0.93 -0.57 0.00 0.00 179.45 179.23 3dwb h GLU 515 N 0.03 0.52 -0.54 3.15 4.39 -0.67 -2.74 114.58 118.71 3dwb h GLU 515 Ca 0.18 -0.39 -0.06 0.00 0.34 0.00 0.00 59.36 59.43 3dwb h GLU 515 Cb 0.27 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.97 3dwb h GLU 515 CO -0.36 1.02 0.09 1.25 -1.16 0.00 0.00 179.01 179.85 3dwb h LEU 516 N 0.12 0.79 -0.82 1.33 5.85 -0.80 -2.53 115.31 119.25 3dwb h LEU 516 Ca -0.02 -0.16 -0.11 0.00 0.84 0.00 0.00 57.88 58.42 3dwb h LEU 516 Cb 1.08 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.89 3dwb h LEU 516 CO 0.09 0.80 -0.36 0.44 -0.34 0.00 0.00 178.44 179.08 3dwb h ASP 517 N 0.80 0.48 0.08 1.25 3.32 -0.99 -2.66 116.42 118.71 3dwb h ASP 517 Ca 0.17 -0.19 -0.00 0.00 0.02 0.00 0.00 57.03 57.03 3dwb h ASP 517 Cb 0.35 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.76 3dwb h ASP 517 CO 0.01 0.80 -0.06 0.50 -1.72 0.00 0.00 179.24 178.76 3dwb h LYS 518 N 0.39 -0.14 -0.88 3.56 3.64 -1.27 0.56 116.57 122.43 3dwb h LYS 518 Ca 0.04 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.52 3dwb h LYS 518 Cb 0.81 0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 32.60 3dwb h LYS 518 CO 0.07 -0.10 0.57 0.28 -2.27 0.00 0.00 179.45 178.00 3dwb h VAL 519 N -0.15 1.01 -0.26 2.00 2.07 -1.30 -2.84 116.25 116.78 3dwb h VAL 519 Ca -0.00 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.20 3dwb h VAL 519 Cb 0.13 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 29.91 3dwb h VAL 519 CO -0.00 0.17 0.00 0.49 0.02 0.00 0.00 177.57 178.24 3dwb n PHE 520 N -4.51 0.32 -0.23 1.57 3.72 -1.02 -4.61 117.46 112.70 3dwb n PHE 520 Ca 0.14 -0.17 0.12 0.00 -0.05 0.00 0.00 57.45 57.49 3dwb n PHE 520 Cb 0.26 -0.00 0.40 0.00 -0.94 0.00 0.00 39.48 39.20 3dwb n PHE 520 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 176.76 175.74 3dwb h ASN 521 N 4.45 0.60 -0.08 4.37 -0.73 -0.62 -0.60 115.58 122.97 3dwb h ASN 521 Ca 0.00 0.03 0.00 0.00 1.87 0.00 0.00 56.30 58.20 3dwb h ASN 521 Cb 0.97 -0.09 0.00 0.00 0.27 0.00 0.00 38.32 39.47 3dwb h ASN 521 CO 0.00 0.32 0.00 0.47 -0.37 0.00 0.00 177.43 177.85 3dwb n ASP 522 N -4.53 1.05 -4.79 1.15 10.43 -1.26 -4.77 116.55 113.84 3dwb n ASP 522 Ca 0.15 -1.53 -0.36 0.00 2.57 0.00 0.00 54.79 55.62 3dwb n ASP 522 Cb 0.44 -0.05 -0.07 0.00 1.84 0.00 0.00 41.12 43.28 3dwb n ASP 522 CO 0.00 0.00 0.00 -0.47 -1.07 0.00 0.00 177.20 175.66 3dwb s TYR 523 N -1.90 3.51 -0.08 1.24 6.14 -0.23 -4.93 117.35 121.09 3dwb s TYR 523 Ca 0.34 0.50 0.01 0.00 0.64 0.00 0.00 57.07 58.57 3dwb s TYR 523 Cb 0.17 -2.13 0.02 0.00 0.42 0.00 0.00 41.96 40.44 3dwb s TYR 523 CO 0.27 0.46 -0.11 0.99 0.64 0.00 0.00 175.55 177.80 3dwb s THR 524 N -0.20 1.13 -0.09 4.34 2.01 -1.26 -5.04 115.64 116.52 3dwb s THR 524 Ca 0.13 -0.43 -0.01 0.00 0.31 0.00 0.00 61.69 61.69 3dwb s THR 524 Cb -0.12 -1.06 -0.03 0.00 0.01 0.00 0.00 72.50 71.30 3dwb s THR 524 CO 0.02 0.36 -0.03 0.00 -0.69 0.00 0.00 174.62 174.29 3dwb s ALA 525 N 0.99 3.14 -0.03 7.40 0.00 -1.26 -4.89 121.76 127.11 3dwb s ALA 525 Ca -0.08 -0.84 0.04 0.00 0.00 0.00 0.00 51.96 51.08 3dwb s ALA 525 Cb -0.15 -1.41 -0.03 0.00 0.00 0.00 0.00 23.12 21.53 3dwb s ALA 525 CO -0.00 0.52 -0.13 0.08 0.00 0.00 0.00 175.76 176.23 3dwb s VAL 526 N -0.66 3.14 0.09 0.00 1.01 -1.26 -4.94 120.40 117.78 3dwb s VAL 526 Ca 0.10 -0.77 -0.31 0.00 0.00 0.00 0.00 61.98 61.01 3dwb s VAL 526 Cb -0.12 -2.26 -0.07 0.00 0.00 0.00 0.00 36.38 33.94 3dwb s VAL 526 CO 0.02 0.54 1.29 -2.16 0.00 0.00 0.00 175.10 174.79 3dwb s PRO 527 N -0.90 4.38 0.00 2.72 0.04 -1.26 -3.38 135.00 136.60 3dwb s PRO 527 Ca 0.13 1.92 0.00 0.00 0.04 0.00 0.00 61.00 63.08 3dwb s PRO 527 Cb -0.11 -3.30 0.00 0.00 0.04 0.00 0.00 34.50 31.13 3dwb s PRO 527 CO 0.02 -0.35 0.00 -0.25 0.04 0.00 0.00 177.00 176.46 3dwb n ASP 528 N 3.96 -1.71 -3.56 6.66 10.43 -1.26 -4.95 116.55 126.11 3dwb n ASP 528 Ca 0.10 0.00 -0.27 0.00 2.57 0.00 0.00 54.79 57.19 3dwb n ASP 528 Cb 0.44 -0.35 -0.09 0.00 1.84 0.00 0.00 41.12 42.96 3dwb n ASP 528 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 3dwb n LEU 529 N 0.00 3.50 -0.07 0.64 4.77 -1.22 -4.91 117.00 119.72 3dwb n LEU 529 Ca 0.00 -5.37 -0.11 0.00 -0.03 0.00 0.00 56.01 50.51 3dwb n LEU 529 Cb 0.01 -0.68 -0.04 0.00 -2.33 0.00 0.00 43.42 40.38 3dwb n LEU 529 CO 0.00 1.97 0.84 0.22 -1.33 0.00 0.00 177.39 179.09 3dwb h TYR 530 N 4.53 0.35 -0.44 -1.77 3.20 -1.85 0.60 116.97 121.59 3dwb h TYR 530 Ca 0.18 -0.04 -0.04 0.00 3.14 0.00 0.00 58.73 61.97 3dwb h TYR 530 Cb 0.69 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.84 3dwb h TYR 530 CO 0.70 0.42 0.10 0.35 -1.64 0.00 0.00 178.16 178.10 3dwb h PHE 531 N 0.19 0.75 -0.66 -3.82 3.04 -1.92 -0.95 116.94 113.56 3dwb h PHE 531 Ca 0.07 -0.09 -0.07 0.00 3.98 0.00 0.00 57.97 61.86 3dwb h PHE 531 Cb 0.23 -0.21 -0.03 0.00 2.56 0.00 0.00 35.95 38.50 3dwb h PHE 531 CO 0.00 0.70 0.14 1.49 -2.02 0.00 0.00 178.31 178.62 3dwb h GLU 532 N 0.59 1.07 -0.62 1.11 4.81 -1.93 -2.22 114.58 117.39 3dwb h GLU 532 Ca 0.14 -0.27 0.07 0.00 -0.13 0.00 0.00 59.36 59.16 3dwb h GLU 532 Cb 0.33 -0.13 -0.06 0.00 0.63 0.00 0.00 28.75 29.52 3dwb h GLU 532 CO 0.00 0.97 0.31 -0.91 -0.73 0.00 0.00 179.01 178.65 3dwb h ASN 533 N 0.99 0.43 0.39 1.04 2.35 -0.64 -0.58 115.58 119.56 3dwb h ASN 533 Ca 0.20 0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 55.98 3dwb h ASN 533 Cb 0.40 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.74 3dwb h ASN 533 CO 0.01 0.27 -0.19 0.00 -1.65 0.00 0.00 177.43 175.87 3dwb h ALA 534 N 1.35 -0.52 -0.97 -0.83 0.00 -0.93 -1.23 119.26 116.13 3dwb h ALA 534 Ca 0.29 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 55.11 3dwb h ALA 534 Cb 0.24 0.20 -0.06 0.00 0.00 0.00 0.00 17.79 18.17 3dwb h ALA 534 CO -0.21 -0.74 0.63 0.52 0.00 0.00 0.00 179.25 179.45 3dwb h MET 535 N -0.61 1.14 -0.79 0.00 2.86 -1.29 0.16 114.93 116.39 3dwb h MET 535 Ca -0.05 -0.07 -0.04 0.00 -2.06 0.00 0.00 59.70 57.48 3dwb h MET 535 Cb 0.45 -0.26 -0.04 0.00 0.06 0.00 0.00 31.60 31.82 3dwb h MET 535 CO 0.09 0.75 0.32 -0.09 1.06 0.00 0.00 176.91 179.04 3dwb h ARG 536 N 1.17 1.18 -0.57 1.72 2.43 -0.98 -1.30 114.38 118.03 3dwb h ARG 536 Ca 0.40 -0.21 -0.07 0.00 -0.81 0.00 0.00 59.98 59.29 3dwb h ARG 536 Cb 0.10 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.44 3dwb h ARG 536 CO -0.14 0.95 0.08 0.35 -1.51 0.00 0.00 179.97 179.70 3dwb h PHE 537 N 1.15 1.02 -0.12 2.20 3.04 0.21 -1.31 116.94 123.12 3dwb h PHE 537 Ca 0.27 -0.15 0.01 0.00 3.98 0.00 0.00 57.97 62.07 3dwb h PHE 537 Cb 0.20 -0.28 -0.01 0.00 2.56 0.00 0.00 35.95 38.43 3dwb h PHE 537 CO 0.02 0.90 0.06 0.74 -2.02 0.00 0.00 178.31 178.00 3dwb h PHE 538 N 0.85 0.11 -0.95 0.41 0.05 -0.17 0.17 116.94 117.41 3dwb h PHE 538 Ca 0.17 0.00 0.03 0.00 3.82 0.00 0.00 57.97 61.99 3dwb h PHE 538 Cb 0.43 -0.03 -0.05 0.00 2.00 0.00 0.00 35.95 38.30 3dwb h PHE 538 CO 0.03 0.06 0.62 -0.97 -0.18 0.00 0.00 178.31 177.88 3dwb h ASN 539 N 0.13 1.05 -0.78 2.17 -1.24 -0.39 -1.79 115.58 114.73 3dwb h ASN 539 Ca 0.05 -0.02 -0.03 0.00 0.71 0.00 0.00 56.30 57.01 3dwb h ASN 539 Cb 0.01 -0.25 -0.04 0.00 0.73 0.00 0.00 38.32 38.77 3dwb h ASN 539 CO -0.03 0.74 0.36 0.15 -1.29 0.00 0.00 177.43 177.35 3dwb h PHE 540 N 1.23 1.14 -0.15 0.67 3.04 -0.65 -2.38 116.94 119.85 3dwb h PHE 540 Ca 0.37 -0.06 -0.21 0.00 3.98 0.00 0.00 57.97 62.05 3dwb h PHE 540 Cb -0.06 -0.35 0.01 0.00 2.56 0.00 0.00 35.95 38.11 3dwb h PHE 540 CO -0.01 0.84 -0.71 1.03 -2.02 0.00 0.00 178.31 177.45 3dwb h SER 541 N 1.12 0.88 -0.39 0.41 0.87 -0.36 -1.80 113.55 114.29 3dwb h SER 541 Ca 0.27 -0.63 0.02 0.00 -1.23 0.00 0.00 61.79 60.23 3dwb h SER 541 Cb 0.14 -0.26 -0.03 0.00 -0.44 0.00 0.00 62.40 61.81 3dwb h SER 541 CO -0.03 1.36 0.21 -0.25 -0.53 0.00 0.00 176.83 177.59 3dwb h TRP 542 N 0.46 0.38 0.00 2.24 2.91 -1.32 -2.88 115.95 117.75 3dwb h TRP 542 Ca -0.04 0.01 -0.03 0.00 1.13 0.00 0.00 58.89 59.96 3dwb h TRP 542 Cb 1.34 -0.12 -0.00 0.00 -0.51 0.00 0.00 29.16 29.87 3dwb h TRP 542 CO 0.09 0.21 -0.16 0.00 -1.03 0.00 0.00 178.44 177.56 3dwb h ARG 543 N 0.42 0.00 -0.41 2.65 3.08 -1.11 -0.47 114.38 118.55 3dwb h ARG 543 Ca 0.16 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 60.07 3dwb h ARG 543 Cb 0.05 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 3dwb h ARG 543 CO -0.10 0.16 -0.28 0.28 -1.07 0.00 0.00 179.97 178.96 3dwb h VAL 544 N 0.00 1.27 -0.01 2.04 2.07 -1.13 -1.57 116.25 118.92 3dwb h VAL 544 Ca -0.00 -1.44 -0.02 0.00 0.82 0.00 0.00 66.70 66.06 3dwb h VAL 544 Cb 0.31 1.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 3dwb h VAL 544 CO 0.02 0.48 -0.09 0.71 0.02 0.00 0.00 177.57 178.71 3dwb h THR 545 N 0.75 1.53 -0.87 2.57 1.35 -1.26 -3.16 112.91 113.82 3dwb h THR 545 Ca 0.09 -1.69 0.16 0.00 -0.55 0.00 0.00 66.41 64.42 3dwb h THR 545 Cb 0.84 2.62 -0.10 0.00 -1.73 0.00 0.00 68.15 69.78 3dwb h THR 545 CO 0.07 0.45 0.43 0.00 -0.25 0.00 0.00 175.52 176.23 3dwb h ALA 546 N 0.32 1.33 0.00 6.62 0.00 -1.13 -1.26 119.26 125.14 3dwb h ALA 546 Ca -0.01 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3dwb h ALA 546 Cb 0.78 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.59 3dwb h ALA 546 CO 0.02 -0.14 0.00 -3.47 0.00 0.00 0.00 179.25 175.65 3dwb n ASP 547 N -4.90 0.41 0.03 0.00 2.03 -0.59 -2.16 116.55 111.36 3dwb n ASP 547 Ca 0.18 0.62 0.13 0.00 0.52 0.00 0.00 54.79 56.24 3dwb n ASP 547 Cb 0.49 -0.70 0.37 0.00 -0.72 0.00 0.00 41.12 40.56 3dwb n ASP 547 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3dwb n GLN 548 N -1.97 0.12 -0.22 -0.67 1.13 -0.47 -4.43 117.38 110.86 3dwb n GLN 548 Ca 0.02 0.06 0.03 0.00 -1.94 0.00 0.00 57.00 55.17 3dwb n GLN 548 Cb 0.17 -1.60 0.13 0.00 0.11 0.00 0.00 30.24 29.05 3dwb n GLN 548 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 3dwb h LEU 549 N 0.00 -0.17 -3.02 1.08 5.85 -1.53 -1.55 115.31 115.96 3dwb h LEU 549 Ca 0.00 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.87 3dwb h LEU 549 Cb 0.60 0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.88 3dwb h LEU 549 CO 0.00 -0.09 0.00 0.54 -0.34 0.00 0.00 178.44 178.55 3dwb n ARG 550 N -5.24 3.25 -3.83 1.25 5.12 -1.26 -4.40 116.66 111.54 3dwb n ARG 550 Ca 0.11 -2.64 -0.20 0.00 -1.93 0.00 0.00 57.85 53.18 3dwb n ARG 550 Cb 0.40 -1.68 -0.02 0.00 -1.16 0.00 0.00 32.46 30.01 3dwb n ARG 550 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 3dwb s LYS 551 N -1.59 3.34 0.16 5.56 1.02 -0.59 -5.05 119.74 122.59 3dwb s LYS 551 Ca 0.43 -0.84 -0.30 0.00 0.02 0.00 0.00 55.97 55.29 3dwb s LYS 551 Cb 0.27 -2.86 -0.07 0.00 -0.52 0.00 0.00 37.83 34.64 3dwb s LYS 551 CO 0.22 0.33 1.03 0.00 -0.92 0.00 0.00 175.35 176.01 3dwb s ALA 552 N -2.04 3.32 0.53 5.17 0.00 -1.26 -4.01 121.76 123.46 3dwb s ALA 552 Ca 0.37 0.70 -0.22 0.00 0.00 0.00 0.00 51.96 52.81 3dwb s ALA 552 Cb -0.09 -3.31 -0.05 0.00 0.00 0.00 0.00 23.12 19.67 3dwb s ALA 552 CO 0.30 -0.09 1.36 -2.14 0.00 0.00 0.00 175.76 175.18 3dwb s PRO 553 N -0.30 3.26 0.19 0.00 0.02 -1.26 -5.01 135.00 131.90 3dwb s PRO 553 Ca 0.48 2.23 0.02 0.00 0.02 0.00 0.00 61.00 63.74 3dwb s PRO 553 Cb -0.27 -2.33 -0.05 0.00 0.02 0.00 0.00 34.50 31.88 3dwb s PRO 553 CO 0.33 -1.10 0.03 0.54 -0.33 0.00 0.00 177.00 176.47 3dwb s ASN 554 N -0.91 1.21 0.40 2.53 4.22 -1.26 -4.98 114.94 116.14 3dwb s ASN 554 Ca 0.69 -1.23 0.25 0.00 -2.14 0.00 0.00 52.86 50.44 3dwb s ASN 554 Cb -0.40 0.13 0.63 0.00 1.28 0.00 0.00 41.25 42.88 3dwb s ASN 554 CO 0.48 -0.61 1.71 0.03 -2.04 0.00 0.00 177.10 176.67 3dwb h ARG 555 N 2.62 0.00 0.00 3.55 3.08 -1.95 -2.95 114.38 118.72 3dwb h ARG 555 Ca -0.37 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.68 3dwb h ARG 555 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.27 3dwb h ARG 555 CO 0.62 0.00 0.00 -3.47 -1.07 0.00 0.00 179.97 176.05 3dwb n ASP 556 N -2.87 0.00 -4.47 7.04 4.64 -1.26 -4.67 116.55 114.96 3dwb n ASP 556 Ca 0.04 -1.16 -0.35 0.00 -1.38 0.00 0.00 54.79 51.94 3dwb n ASP 556 Cb 0.46 0.00 -0.12 0.00 -1.04 0.00 0.00 41.12 40.42 3dwb n ASP 556 CO 0.00 0.00 0.00 -1.10 -0.82 0.00 0.00 177.20 175.28 3dwb s GLN 557 N -2.00 3.67 0.04 -0.67 -0.21 -1.12 -4.71 119.66 114.66 3dwb s GLN 557 Ca 0.26 -0.48 0.03 0.00 0.02 0.00 0.00 55.36 55.18 3dwb s GLN 557 Cb 0.12 -3.18 -0.04 0.00 1.00 0.00 0.00 33.01 30.91 3dwb s GLN 557 CO 0.20 -0.03 0.02 -1.58 -2.12 0.00 0.00 175.29 171.77 3dwb s TRP 558 N 1.16 3.08 -0.38 0.91 0.52 -1.26 -4.96 118.94 118.01 3dwb s TRP 558 Ca 0.04 0.05 0.06 0.00 0.02 0.00 0.00 56.10 56.27 3dwb s TRP 558 Cb -0.14 -1.63 0.63 0.00 -1.15 0.00 0.00 33.47 31.18 3dwb s TRP 558 CO 0.02 0.48 1.74 -1.13 0.02 0.00 0.00 176.95 178.09 3dwb n SER 559 N 1.01 4.10 -3.71 2.95 3.41 -1.26 -4.86 113.62 115.26 3dwb n SER 559 Ca -0.12 -3.24 -0.13 0.00 -0.26 0.00 0.00 58.87 55.12 3dwb n SER 559 Cb 0.52 -0.76 -0.10 0.00 -0.26 0.00 0.00 64.21 63.62 3dwb n SER 559 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 3dwb s MET 560 N -2.79 0.53 0.44 4.33 -1.94 -1.26 -5.16 119.30 113.45 3dwb s MET 560 Ca 0.49 0.69 -0.06 0.00 -1.71 0.00 0.00 55.69 55.11 3dwb s MET 560 Cb 0.40 0.22 -0.04 0.00 2.01 0.00 0.00 34.83 37.42 3dwb s MET 560 CO 0.11 -0.08 0.75 0.95 -0.01 0.00 0.00 175.02 176.73 3dwb s THR 561 N 0.47 4.91 0.60 2.05 -4.23 -1.26 -4.99 115.64 113.19 3dwb s THR 561 Ca -0.02 0.21 0.30 0.00 -1.18 0.00 0.00 61.69 61.00 3dwb s THR 561 Cb -0.04 -3.83 0.36 0.00 1.34 0.00 0.00 72.50 70.33 3dwb s THR 561 CO -0.02 -0.73 2.08 -0.65 -0.54 0.00 0.00 174.62 174.76 3dwb h PRO 562 N 0.57 0.00 -0.13 3.99 0.11 -1.81 -2.45 132.00 132.27 3dwb h PRO 562 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3dwb h PRO 562 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3dwb h PRO 562 CO 0.62 0.00 0.00 -0.35 -0.21 0.00 0.00 178.00 178.06 3dwb n PRO 563 N -3.68 1.74 -2.36 1.05 -0.04 -1.26 -0.59 135.00 129.86 3dwb n PRO 563 Ca 0.02 -1.10 -0.38 0.00 -0.04 0.00 0.00 63.50 62.00 3dwb n PRO 563 Cb 0.36 -1.42 -0.03 0.00 -0.04 0.00 0.00 33.50 32.37 3dwb n PRO 563 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 3dwb s MET 564 N -1.84 4.12 -1.09 0.54 -1.94 -0.93 -4.50 119.30 113.68 3dwb s MET 564 Ca 0.34 1.77 -0.06 0.00 -1.71 0.00 0.00 55.69 56.03 3dwb s MET 564 Cb 0.18 -2.69 0.29 0.00 2.01 0.00 0.00 34.83 34.63 3dwb s MET 564 CO 0.28 -0.24 1.29 0.28 -0.01 0.00 0.00 175.02 176.63 3dwb n VAL 565 N 0.14 4.91 -3.90 -6.03 0.31 -1.26 -3.33 118.33 109.17 3dwb n VAL 565 Ca 0.04 -5.66 -0.01 0.00 -0.01 0.00 0.00 64.34 58.70 3dwb n VAL 565 Cb 0.47 -2.32 0.02 0.00 -0.91 0.00 0.00 33.84 31.10 3dwb n VAL 565 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 3dwb n ASN 566 N 1.95 -1.37 -3.54 4.52 2.85 -1.26 -4.94 115.26 113.47 3dwb n ASN 566 Ca 0.25 -1.60 -0.09 0.00 -0.11 0.00 0.00 54.58 53.03 3dwb n ASN 566 Cb 0.36 2.20 -0.02 0.00 1.24 0.00 0.00 39.78 43.56 3dwb n ASN 566 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3dwb s ALA 567 N -1.91 -1.67 0.24 5.20 0.00 -1.26 -4.25 121.76 118.11 3dwb s ALA 567 Ca 0.23 0.59 -0.18 0.00 0.00 0.00 0.00 51.96 52.59 3dwb s ALA 567 Cb -0.02 0.65 0.02 0.00 0.00 0.00 0.00 23.12 23.77 3dwb s ALA 567 CO 0.03 -0.80 0.59 1.52 0.00 0.00 0.00 175.76 177.10 3dwb s TYR 568 N -3.43 -0.06 -0.03 0.00 1.13 -0.92 -5.03 117.35 109.01 3dwb s TYR 568 Ca 0.05 -0.32 0.06 0.00 -1.41 0.00 0.00 57.07 55.45 3dwb s TYR 568 Cb -0.02 0.48 -0.01 0.00 -1.10 0.00 0.00 41.96 41.31 3dwb s TYR 568 CO -0.07 -1.05 -0.20 -0.47 -2.51 0.00 0.00 175.55 171.25 3dwb s TYR 569 N -3.92 1.81 -0.23 -3.49 5.04 -1.26 -1.26 117.35 114.04 3dwb s TYR 569 Ca 0.12 -0.40 -0.08 0.00 -2.44 0.00 0.00 57.07 54.27 3dwb s TYR 569 Cb -0.03 -1.18 -0.04 0.00 0.35 0.00 0.00 41.96 41.07 3dwb s TYR 569 CO 0.03 -0.08 0.08 0.45 -1.34 0.00 0.00 175.55 174.70 3dwb s SER 570 N -0.32 5.41 0.35 4.32 0.15 0.48 -4.96 113.70 119.14 3dwb s SER 570 Ca 0.04 -0.08 0.10 0.00 0.70 0.00 0.00 55.95 56.71 3dwb s SER 570 Cb -0.09 -1.96 0.65 0.00 -1.71 0.00 0.00 66.02 62.90 3dwb s SER 570 CO 0.00 0.04 1.80 1.55 1.20 0.00 0.00 173.24 177.83 3dwb h PRO 571 N 7.72 0.12 0.00 5.44 0.13 -1.94 0.75 132.00 144.22 3dwb h PRO 571 Ca -0.37 -0.05 -0.15 0.00 -0.87 0.00 0.00 66.00 64.57 3dwb h PRO 571 Cb 1.18 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.28 3dwb h PRO 571 CO 0.61 0.45 -0.70 1.79 -0.23 0.00 0.00 178.00 179.92 3dwb h THR 572 N 0.11 1.22 -0.02 1.56 1.35 -1.95 -3.17 112.91 112.00 3dwb h THR 572 Ca 0.01 -2.69 0.00 0.00 -0.55 0.00 0.00 66.41 63.18 3dwb h THR 572 Cb 0.66 2.58 0.00 0.00 -1.73 0.00 0.00 68.15 69.66 3dwb h THR 572 CO 0.05 0.69 -0.26 0.29 -0.25 0.00 0.00 175.52 176.04 3dwb n LYS 573 N -3.29 1.69 -4.06 4.72 5.02 -1.22 -4.31 118.16 116.71 3dwb n LYS 573 Ca 0.01 -1.38 -0.42 0.00 -2.02 0.00 0.00 58.31 54.50 3dwb n LYS 573 Cb 0.81 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 34.35 3dwb n LYS 573 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3dwb n ASN 574 N 0.55 -3.39 -3.99 4.39 5.15 0.19 -4.69 115.26 113.47 3dwb n ASN 574 Ca 0.12 -1.25 -0.17 0.00 -0.60 0.00 0.00 54.58 52.67 3dwb n ASN 574 Cb 0.52 -1.93 -0.14 0.00 -0.53 0.00 0.00 39.78 37.70 3dwb n ASN 574 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 3dwb s GLU 575 N -7.23 0.54 -0.14 1.20 2.12 -0.82 -1.50 118.70 112.88 3dwb s GLU 575 Ca 0.40 -0.26 -0.05 0.00 0.36 0.00 0.00 54.97 55.42 3dwb s GLU 575 Cb -0.21 -0.52 -0.04 0.00 0.26 0.00 0.00 34.13 33.63 3dwb s GLU 575 CO 0.96 0.14 0.03 0.96 -0.54 0.00 0.00 175.26 176.81 3dwb s ILE 576 N -0.21 4.50 -0.09 -3.70 -4.36 0.99 -0.38 121.20 117.96 3dwb s ILE 576 Ca 0.02 -0.15 0.03 0.00 -0.26 0.00 0.00 60.65 60.29 3dwb s ILE 576 Cb -0.03 -2.97 0.01 0.00 1.25 0.00 0.00 42.46 40.72 3dwb s ILE 576 CO -0.00 0.53 -0.17 -0.69 0.24 0.00 0.00 174.94 174.85 3dwb s VAL 577 N -0.18 1.53 -0.43 8.37 1.01 -0.39 -1.53 120.40 128.79 3dwb s VAL 577 Ca 0.06 -0.70 0.03 0.00 0.00 0.00 0.00 61.98 61.37 3dwb s VAL 577 Cb -0.12 -1.37 0.12 0.00 0.00 0.00 0.00 36.38 35.00 3dwb s VAL 577 CO 0.02 0.44 0.17 -0.36 0.00 0.00 0.00 175.10 175.37 3dwb s PHE 578 N 0.64 3.11 0.21 5.22 0.08 -0.54 -2.17 117.98 124.54 3dwb s PHE 578 Ca -0.14 -2.90 -0.32 0.00 0.12 0.00 0.00 56.93 53.69 3dwb s PHE 578 Cb -0.16 -2.65 -0.15 0.00 -0.57 0.00 0.00 43.02 39.49 3dwb s PHE 578 CO 0.04 -0.83 1.26 -2.30 -0.10 0.00 0.00 175.22 173.29 3dwb n PRO 579 N 3.71 1.56 -0.36 0.24 -0.02 -1.26 -0.07 135.00 138.80 3dwb n PRO 579 Ca 0.05 0.56 0.37 0.00 -2.02 0.00 0.00 63.50 62.45 3dwb n PRO 579 Cb 0.37 -2.12 0.76 0.00 -0.02 0.00 0.00 33.50 32.49 3dwb n PRO 579 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3dwb h ALA 580 N 3.67 3.20 0.00 3.55 0.00 -0.97 -1.08 119.26 127.62 3dwb h ALA 580 Ca -0.44 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3dwb h ALA 580 Cb 1.31 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.20 3dwb h ALA 580 CO 0.72 -1.56 0.07 0.78 0.00 0.00 0.00 179.25 179.26 3dwb h GLY 581 N 0.00 0.00 -0.00 0.00 0.00 -0.90 -2.08 103.07 100.09 3dwb h GLY 581 Ca 0.60 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.93 3dwb h GLY 581 CO -0.01 0.00 -0.50 4.51 0.00 0.00 0.00 176.54 180.54 3dwb n ILE 582 N -2.73 0.00 -0.77 2.60 3.06 -0.41 -4.42 119.36 116.68 3dwb n ILE 582 Ca -0.02 -0.25 -0.07 0.00 -2.50 0.00 0.00 62.75 59.91 3dwb n ILE 582 Cb 0.12 1.00 -0.09 0.00 0.54 0.00 0.00 39.64 41.21 3dwb n ILE 582 CO 0.00 0.00 0.00 0.18 -2.50 0.00 0.00 176.55 174.23 3dwb n LEU 583 N -1.25 5.27 -4.33 9.51 4.77 -0.78 -4.47 117.00 125.72 3dwb n LEU 583 Ca 0.02 -2.82 -0.17 0.00 -0.03 0.00 0.00 56.01 53.00 3dwb n LEU 583 Cb 0.17 -1.29 -0.10 0.00 -2.33 0.00 0.00 43.42 39.87 3dwb n LEU 583 CO 0.22 1.38 -0.32 -1.10 -1.33 0.00 0.00 177.39 176.24 3dwb s GLN 584 N 0.56 1.35 0.29 3.23 -0.21 -1.26 -4.68 119.66 118.95 3dwb s GLN 584 Ca 0.37 -1.69 -0.30 0.00 0.02 0.00 0.00 55.36 53.76 3dwb s GLN 584 Cb 0.18 -0.58 -0.12 0.00 1.00 0.00 0.00 33.01 33.49 3dwb s GLN 584 CO 0.00 -0.12 1.57 0.00 -2.12 0.00 0.00 175.29 174.62 3dwb n ALA 585 N -0.43 2.40 0.80 6.09 0.00 -0.23 -1.08 120.51 128.06 3dwb n ALA 585 Ca -0.04 0.37 0.13 0.00 0.00 0.00 0.00 53.44 53.89 3dwb n ALA 585 Cb 0.64 -2.44 0.33 0.00 0.00 0.00 0.00 19.45 17.98 3dwb n ALA 585 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3dwb n PRO 586 N 2.03 0.14 0.25 0.00 -0.04 -1.26 -4.87 135.00 131.25 3dwb n PRO 586 Ca 0.08 0.06 -0.16 0.00 -0.04 0.00 0.00 63.50 63.45 3dwb n PRO 586 Cb 0.36 -1.61 -0.08 0.00 -0.04 0.00 0.00 33.50 32.13 3dwb n PRO 586 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 3dwb h PHE 587 N 0.00 -0.62 -3.92 0.54 0.04 -1.37 -3.44 116.94 108.17 3dwb h PHE 587 Ca 0.00 -0.01 -0.28 0.00 2.80 0.00 0.00 57.97 60.48 3dwb h PHE 587 Cb 0.62 0.21 -0.25 0.00 2.20 0.00 0.00 35.95 38.74 3dwb h PHE 587 CO 0.00 -0.37 -0.74 -0.47 -0.60 0.00 0.00 178.31 176.13 3dwb s TYR 588 N -6.09 0.48 -0.29 -0.55 6.14 -0.64 -1.33 117.35 115.07 3dwb s TYR 588 Ca -0.16 -0.30 -0.14 0.00 0.64 0.00 0.00 57.07 57.11 3dwb s TYR 588 Cb 0.05 -0.30 0.12 0.00 0.42 0.00 0.00 41.96 42.25 3dwb s TYR 588 CO 0.63 -0.06 0.77 0.95 0.64 0.00 0.00 175.55 178.49 3dwb s THR 589 N -0.78 -0.45 -0.30 4.34 -4.23 -1.26 -1.07 115.64 111.89 3dwb s THR 589 Ca -0.05 0.00 0.28 0.00 -1.18 0.00 0.00 61.69 60.73 3dwb s THR 589 Cb -0.06 -1.00 0.32 0.00 1.34 0.00 0.00 72.50 73.10 3dwb s THR 589 CO -0.00 0.00 1.81 0.08 -0.54 0.00 0.00 174.62 175.97 3dwb h ARG 590 N 7.31 0.00 0.00 3.99 0.11 -1.99 -0.17 114.38 123.63 3dwb h ARG 590 Ca -0.23 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.85 3dwb h ARG 590 Cb 1.16 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.24 3dwb h ARG 590 CO 0.13 0.00 -0.30 0.66 0.10 0.00 0.00 179.97 180.56 3dwb h SER 591 N 0.00 0.00 -4.03 0.08 4.64 -2.05 -3.48 113.55 108.72 3dwb h SER 591 Ca 0.00 -0.08 -0.50 0.00 -0.47 0.00 0.00 61.79 60.74 3dwb h SER 591 Cb 0.57 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 62.72 3dwb h SER 591 CO 0.00 0.04 0.46 -0.55 -0.87 0.00 0.00 176.83 175.91 3dwb s SER 592 N -4.70 6.09 0.27 4.97 0.15 -0.08 -4.95 113.70 115.46 3dwb s SER 592 Ca 0.08 2.22 -0.30 0.00 0.70 0.00 0.00 55.95 58.65 3dwb s SER 592 Cb 0.12 -2.59 -0.13 0.00 -1.71 0.00 0.00 66.02 61.70 3dwb s SER 592 CO 0.67 -0.97 1.35 -2.65 1.20 0.00 0.00 173.24 172.84 3dwb n PRO 593 N -0.73 2.04 -0.33 5.44 -0.02 -1.26 -4.76 135.00 135.37 3dwb n PRO 593 Ca 0.09 0.72 0.18 0.00 -2.02 0.00 0.00 63.50 62.47 3dwb n PRO 593 Cb 0.49 -2.34 0.39 0.00 -0.02 0.00 0.00 33.50 32.02 3dwb n PRO 593 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3dwb h LYS 594 N 3.62 0.45 -0.91 -0.52 6.56 -1.95 0.20 116.57 124.01 3dwb h LYS 594 Ca -0.45 -0.03 0.15 0.00 -1.06 0.00 0.00 60.65 59.26 3dwb h LYS 594 Cb 1.28 -0.10 -0.07 0.00 -0.57 0.00 0.00 32.23 32.76 3dwb h LYS 594 CO 0.71 0.30 0.58 0.00 -2.06 0.00 0.00 179.45 178.98 3dwb h ALA 595 N 1.76 1.82 0.23 3.86 0.00 -1.89 0.98 119.26 126.02 3dwb h ALA 595 Ca 0.65 0.02 -0.34 0.00 0.00 0.00 0.00 54.91 55.24 3dwb h ALA 595 Cb 1.31 -0.12 0.03 0.00 0.00 0.00 0.00 17.79 19.00 3dwb h ALA 595 CO -0.53 -0.08 -1.59 -0.07 0.00 0.00 0.00 179.25 176.99 3dwb h LEU 596 N 0.70 0.76 -0.28 0.00 3.38 -0.96 -1.06 115.31 117.86 3dwb h LEU 596 Ca 0.46 -0.91 -0.01 0.00 0.09 0.00 0.00 57.88 57.51 3dwb h LEU 596 Cb 0.75 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 3dwb h LEU 596 CO -0.22 1.74 0.13 0.78 0.09 0.00 0.00 178.44 180.96 3dwb h ASN 597 N 0.13 0.36 0.10 -0.43 2.35 -0.77 0.40 115.58 117.73 3dwb h ASN 597 Ca -0.29 -0.13 -0.07 0.00 -0.55 0.00 0.00 56.30 55.26 3dwb h ASN 597 Cb 2.15 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 40.41 3dwb h ASN 597 CO 0.24 0.39 -0.23 -0.26 -1.65 0.00 0.00 177.43 175.92 3dwb h PHE 598 N 0.31 0.25 0.00 1.19 -1.00 0.90 -1.94 116.94 116.65 3dwb h PHE 598 Ca 0.09 -0.04 0.00 0.00 2.81 0.00 0.00 57.97 60.83 3dwb h PHE 598 Cb 0.13 -0.07 0.00 0.00 3.61 0.00 0.00 35.95 39.62 3dwb h PHE 598 CO -0.02 0.46 0.00 0.78 -1.61 0.00 0.00 178.31 177.92 3dwb h GLY 599 N 0.92 0.00 0.00 -1.45 0.00 -1.02 -2.92 103.07 98.60 3dwb h GLY 599 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.37 3dwb h GLY 599 CO 0.04 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.19 3dwb n GLY 600 N 0.45 -0.10 0.32 4.60 0.00 0.12 -3.84 105.19 106.74 3dwb n GLY 600 Ca 0.02 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.08 3dwb n GLY 600 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3dwb h ILE 601 N 0.00 0.90 -0.95 -0.61 6.09 -0.91 -1.97 117.51 120.05 3dwb h ILE 601 Ca 0.00 -0.29 0.14 0.00 -1.37 0.00 0.00 64.86 63.34 3dwb h ILE 601 Cb 0.00 -0.01 -0.08 0.00 0.47 0.00 0.00 36.82 37.20 3dwb h ILE 601 CO 0.00 0.15 0.60 1.23 -3.07 0.00 0.00 178.15 177.07 3dwb h GLY 602 N 0.83 1.44 1.42 8.18 0.00 -1.39 0.21 103.07 113.77 3dwb h GLY 602 Ca 0.43 -0.36 -0.20 0.00 0.00 0.00 0.00 47.33 47.20 3dwb h GLY 602 CO -0.26 0.10 -0.74 -2.08 0.00 0.00 0.00 176.54 173.56 3dwb h VAL 603 N 0.82 1.34 -0.41 4.60 2.07 -1.18 -2.05 116.25 121.44 3dwb h VAL 603 Ca 0.48 -2.06 -0.02 0.00 0.82 0.00 0.00 66.70 65.93 3dwb h VAL 603 Cb 0.65 2.04 -0.02 0.00 -1.52 0.00 0.00 31.29 32.44 3dwb h VAL 603 CO -0.25 0.63 0.18 0.58 0.02 0.00 0.00 177.57 178.74 3dwb h VAL 604 N 0.39 1.18 0.52 2.57 2.07 -0.39 -1.21 116.25 121.38 3dwb h VAL 604 Ca -0.04 -0.54 -0.02 0.00 0.82 0.00 0.00 66.70 66.92 3dwb h VAL 604 Cb 1.34 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 3dwb h VAL 604 CO 0.14 0.20 -0.40 0.58 0.02 0.00 0.00 177.57 178.11 3dwb h VAL 605 N 0.51 0.00 -1.03 2.57 2.07 -0.65 -2.62 116.25 117.11 3dwb h VAL 605 Ca 0.14 0.00 0.26 0.00 0.82 0.00 0.00 66.70 67.92 3dwb h VAL 605 Cb 0.15 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 29.81 3dwb h VAL 605 CO -0.01 0.00 0.64 1.23 0.02 0.00 0.00 177.57 179.45 3dwb h GLY 606 N -0.89 1.53 0.76 2.17 0.00 -1.38 0.17 103.07 105.43 3dwb h GLY 606 Ca -0.07 -0.25 0.05 0.00 0.00 0.00 0.00 47.33 47.06 3dwb h GLY 606 CO 0.02 -0.19 0.41 0.84 0.00 0.00 0.00 176.54 177.62 3dwb h HIS 607 N 0.47 0.75 -0.03 5.60 6.17 -1.04 0.01 115.15 127.07 3dwb h HIS 607 Ca 0.62 0.02 -0.04 0.00 0.71 0.00 0.00 60.37 61.68 3dwb h HIS 607 Cb 1.40 -0.24 0.00 0.00 2.52 0.00 0.00 27.41 31.10 3dwb h HIS 607 CO -0.00 0.39 -0.14 0.93 0.71 0.00 0.00 177.93 179.82 3dwb h GLU 608 N 0.77 0.15 -0.62 5.26 4.39 -0.32 -2.80 114.58 121.40 3dwb h GLU 608 Ca 0.29 -0.12 0.12 0.00 0.34 0.00 0.00 59.36 60.00 3dwb h GLU 608 Cb 0.12 0.02 -0.09 0.00 -0.10 0.00 0.00 28.75 28.70 3dwb h GLU 608 CO -0.15 0.77 0.10 -0.07 -1.16 0.00 0.00 179.01 178.50 3dwb h LEU 609 N -0.43 -0.08 -2.08 1.33 3.38 -1.28 -2.01 115.31 114.14 3dwb h LEU 609 Ca -0.01 0.13 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 3dwb h LEU 609 Cb 0.79 0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.74 3dwb h LEU 609 CO 0.03 -0.04 -0.08 0.74 0.09 0.00 0.00 178.44 179.19 3dwb h THR 610 N 0.21 0.42 0.00 0.22 2.02 -0.91 -1.83 112.91 113.04 3dwb h THR 610 Ca 0.33 -0.40 -0.02 0.00 0.77 0.00 0.00 66.41 67.09 3dwb h THR 610 Cb 0.52 1.28 -0.00 0.00 -1.74 0.00 0.00 68.15 68.20 3dwb h THR 610 CO -0.45 0.07 -0.10 0.45 0.37 0.00 0.00 175.52 175.86 3dwb h HIS 611 N 0.00 0.00 0.00 3.16 3.86 -1.09 -1.55 115.15 119.53 3dwb h HIS 611 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3dwb h HIS 611 Cb 0.27 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.74 3dwb h HIS 611 CO 0.00 0.10 0.00 0.00 0.86 0.00 0.00 177.93 178.89 3dwb n ALA 612 N -2.20 1.13 -0.66 2.45 0.00 -0.69 -3.06 120.51 117.48 3dwb n ALA 612 Ca -0.01 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.60 3dwb n ALA 612 Cb 0.27 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.42 3dwb n ALA 612 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3dwb n PHE 613 N -2.20 0.00 -1.63 0.00 3.72 -0.60 -3.28 117.46 113.47 3dwb n PHE 613 Ca -0.01 -0.19 -0.19 0.00 -0.05 0.00 0.00 57.45 57.01 3dwb n PHE 613 Cb 0.06 -0.02 0.13 0.00 -0.94 0.00 0.00 39.48 38.71 3dwb n PHE 613 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 3dwb n ASP 614 N -0.20 0.10 0.26 4.37 5.68 -1.13 -4.20 116.55 121.44 3dwb n ASP 614 Ca 0.00 -1.33 0.17 0.00 -0.50 0.00 0.00 54.79 53.13 3dwb n ASP 614 Cb 0.42 -0.64 0.78 0.00 -1.14 0.00 0.00 41.12 40.54 3dwb n ASP 614 CO 0.00 0.00 0.00 -2.24 -1.33 0.00 0.00 177.20 173.63 3dwb h ASP 615 N -1.08 0.00 0.00 -1.12 2.03 -1.92 -1.40 116.42 112.93 3dwb h ASP 615 Ca -0.27 0.00 -0.25 0.00 -0.73 0.00 0.00 57.03 55.78 3dwb h ASP 615 Cb 0.76 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 39.22 3dwb h ASP 615 CO 0.20 0.00 -1.76 0.00 -1.03 0.00 0.00 179.24 176.64 3dwb n GLN 616 N -3.14 0.56 0.24 4.15 6.02 -1.26 -4.61 117.38 119.34 3dwb n GLN 616 Ca 0.01 0.28 0.10 0.00 -0.01 0.00 0.00 57.00 57.39 3dwb n GLN 616 Cb 0.47 -1.50 0.62 0.00 1.02 0.00 0.00 30.24 30.85 3dwb n GLN 616 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 3dwb h GLY 617 N -1.00 0.00 2.00 1.08 0.00 -1.61 -2.36 103.07 101.18 3dwb h GLY 617 Ca -0.38 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 46.89 3dwb h GLY 617 CO -0.23 0.00 -0.29 0.07 0.00 0.00 0.00 176.54 176.09 3dwb h ARG 618 N 0.00 0.00 0.00 4.80 0.11 -1.24 -2.58 114.38 115.47 3dwb h ARG 618 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3dwb h ARG 618 Cb 0.45 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.53 3dwb h ARG 618 CO 0.02 0.29 0.00 0.39 0.10 0.00 0.00 179.97 180.77 3dwb n GLU 619 N -3.94 0.01 -4.65 0.08 1.02 -0.89 -4.67 120.64 107.61 3dwb n GLU 619 Ca -0.02 0.38 -0.34 0.00 -0.02 0.00 0.00 57.16 57.16 3dwb n GLU 619 Cb 0.36 -1.53 -0.11 0.00 -0.02 0.00 0.00 31.44 30.14 3dwb n GLU 619 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 3dwb s TYR 620 N -3.03 2.91 0.71 -0.32 2.02 -0.97 -2.97 117.35 115.70 3dwb s TYR 620 Ca 0.04 -0.01 -0.09 0.00 -0.37 0.00 0.00 57.07 56.64 3dwb s TYR 620 Cb 0.05 -1.71 0.16 0.00 -0.40 0.00 0.00 41.96 40.06 3dwb s TYR 620 CO 0.15 0.30 0.97 -0.40 -1.57 0.00 0.00 175.55 175.01 3dwb n ASP 621 N 2.27 0.43 0.30 2.29 3.85 0.35 -4.85 116.55 121.20 3dwb n ASP 621 Ca -0.18 -1.57 0.17 0.00 -0.71 0.00 0.00 54.79 52.50 3dwb n ASP 621 Cb 0.53 -0.71 0.96 0.00 -1.35 0.00 0.00 41.12 40.54 3dwb n ASP 621 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.20 176.26 3dwb h LYS 622 N 0.00 0.00 -0.13 0.11 2.10 -1.92 -1.34 116.57 115.40 3dwb h LYS 622 Ca -0.32 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.33 3dwb h LYS 622 Cb 0.96 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.29 3dwb h LYS 622 CO 0.26 0.03 0.00 -0.25 -2.00 0.00 0.00 179.45 177.48 3dwb n ASP 623 N -3.54 2.08 0.00 7.07 8.00 -1.26 -4.85 116.55 124.05 3dwb n ASP 623 Ca -0.03 -1.73 0.00 0.00 0.71 0.00 0.00 54.79 53.75 3dwb n ASP 623 Cb 0.12 -0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.15 3dwb n ASP 623 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3dwb n GLY 624 N 1.23 0.82 3.75 0.44 0.00 -0.50 -4.80 105.19 106.14 3dwb n GLY 624 Ca 0.17 -0.17 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 3dwb n GLY 624 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3dwb s ASN 625 N -2.16 5.87 -0.45 1.61 0.01 -1.25 -4.23 114.94 114.34 3dwb s ASN 625 Ca 0.00 0.27 -0.29 0.00 -0.71 0.00 0.00 52.86 52.13 3dwb s ASN 625 Cb 0.00 -1.88 0.02 0.00 0.41 0.00 0.00 41.25 39.80 3dwb s ASN 625 CO 0.00 0.33 1.30 -0.22 -1.51 0.00 0.00 177.10 176.99 3dwb s LEU 626 N -0.56 3.59 0.00 0.60 0.20 0.80 -0.50 118.68 122.82 3dwb s LEU 626 Ca 0.11 0.64 0.00 0.00 0.69 0.00 0.00 54.13 55.58 3dwb s LEU 626 Cb -0.12 -3.53 0.00 0.00 -0.43 0.00 0.00 46.19 42.12 3dwb s LEU 626 CO 0.02 -1.37 0.00 -1.14 -0.29 0.00 0.00 176.35 173.57 3dwb n ARG 627 N 8.01 0.00 -1.69 1.98 0.63 -1.16 -4.64 116.66 119.80 3dwb n ARG 627 Ca 0.14 0.00 -0.44 0.00 -0.92 0.00 0.00 57.85 56.63 3dwb n ARG 627 Cb 0.48 0.00 -0.04 0.00 0.45 0.00 0.00 32.46 33.36 3dwb n ARG 627 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 3dwb n PRO 628 N -0.00 2.52 0.00 -0.14 -0.02 -1.26 -4.51 135.00 131.59 3dwb n PRO 628 Ca 0.00 0.92 0.00 0.00 -2.02 0.00 0.00 63.50 62.40 3dwb n PRO 628 Cb 0.00 -2.77 0.00 0.00 -0.02 0.00 0.00 33.50 30.71 3dwb n PRO 628 CO 0.00 0.00 0.00 -2.67 1.98 0.00 0.00 175.50 174.81 3dwb n TRP 629 N 5.02 0.00 -4.23 6.00 4.27 -1.26 -5.04 117.44 122.19 3dwb n TRP 629 Ca 0.18 0.00 -0.26 0.00 -3.89 0.00 0.00 57.50 53.53 3dwb n TRP 629 Cb 0.33 0.00 -0.08 0.00 -1.36 0.00 0.00 31.31 30.20 3dwb n TRP 629 CO 0.00 0.00 0.00 -1.58 -2.29 0.00 0.00 177.69 173.82 3dwb s TRP 630 N -0.04 2.78 0.54 -2.67 0.51 -1.26 -5.04 118.94 113.75 3dwb s TRP 630 Ca 0.00 -0.16 -0.22 0.00 -2.12 0.00 0.00 56.10 53.60 3dwb s TRP 630 Cb 0.00 -1.34 -0.05 0.00 -0.81 0.00 0.00 33.47 31.26 3dwb s TRP 630 CO 0.00 0.52 1.29 1.63 -0.51 0.00 0.00 176.95 179.88 3dwb n LYS 631 N -0.10 1.61 -0.33 4.98 5.02 -1.26 -4.88 118.16 123.19 3dwb n LYS 631 Ca -0.10 0.59 0.07 0.00 -2.02 0.00 0.00 58.31 56.85 3dwb n LYS 631 Cb 0.55 -2.49 0.26 0.00 -0.02 0.00 0.00 35.03 33.33 3dwb n LYS 631 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 3dwb h ASN 632 N 1.38 0.89 -0.52 4.39 -0.26 -2.00 -2.25 115.58 117.21 3dwb h ASN 632 Ca -0.50 0.03 0.10 0.00 -0.56 0.00 0.00 56.30 55.37 3dwb h ASN 632 Cb 1.31 -0.15 -0.08 0.00 -1.06 0.00 0.00 38.32 38.34 3dwb h ASN 632 CO 0.57 0.50 0.04 0.77 -1.06 0.00 0.00 177.43 178.24 3dwb h SER 633 N 0.97 -0.15 -0.39 5.81 4.64 -1.99 0.41 113.55 122.86 3dwb h SER 633 Ca 0.46 0.11 -0.07 0.00 -0.47 0.00 0.00 61.79 61.83 3dwb h SER 633 Cb 0.43 0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 62.69 3dwb h SER 633 CO -0.22 -0.05 0.02 0.28 -0.87 0.00 0.00 176.83 176.00 3dwb h SER 634 N 0.16 0.73 -0.48 4.97 0.02 -1.79 0.11 113.55 117.26 3dwb h SER 634 Ca 0.26 -0.16 -0.05 0.00 -0.84 0.00 0.00 61.79 61.00 3dwb h SER 634 Cb 0.39 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.72 3dwb h SER 634 CO -0.40 0.78 0.09 0.58 -1.14 0.00 0.00 176.83 176.74 3dwb h VAL 635 N 0.72 1.24 -0.67 2.27 2.07 -0.90 0.13 116.25 121.12 3dwb h VAL 635 Ca 0.14 -0.88 -0.04 0.00 0.82 0.00 0.00 66.70 66.75 3dwb h VAL 635 Cb 0.41 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 3dwb h VAL 635 CO 0.02 0.31 0.26 -0.33 0.02 0.00 0.00 177.57 177.85 3dwb h GLU 636 N 0.65 0.98 -0.32 1.57 5.08 0.11 -1.19 114.58 121.47 3dwb h GLU 636 Ca 0.15 -0.16 -0.06 0.00 -1.00 0.00 0.00 59.36 58.28 3dwb h GLU 636 Cb 0.36 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 3dwb h GLU 636 CO 0.01 0.80 -0.02 0.00 -1.00 0.00 0.00 179.01 178.80 3dwb h ALA 637 N 1.32 0.44 -0.49 3.43 0.00 -0.74 -2.57 119.26 120.65 3dwb h ALA 637 Ca 0.23 -0.26 0.06 0.00 0.00 0.00 0.00 54.91 54.93 3dwb h ALA 637 Cb 0.19 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 3dwb h ALA 637 CO -0.02 0.22 0.21 0.35 0.00 0.00 0.00 179.25 180.01 3dwb h PHE 638 N 0.38 0.38 -0.57 0.00 3.04 -0.45 -2.88 116.94 116.84 3dwb h PHE 638 Ca 0.09 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 62.05 3dwb h PHE 638 Cb 0.49 -0.10 -0.03 0.00 2.56 0.00 0.00 35.95 38.87 3dwb h PHE 638 CO 0.04 0.16 0.30 0.87 -2.02 0.00 0.00 178.31 177.66 3dwb h LYS 639 N 0.42 0.78 -0.73 1.11 1.57 -0.98 -2.41 116.57 116.33 3dwb h LYS 639 Ca 0.23 -0.08 -0.05 0.00 -1.87 0.00 0.00 60.65 58.88 3dwb h LYS 639 Cb 0.19 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.31 3dwb h LYS 639 CO -0.20 0.58 0.27 0.00 -0.57 0.00 0.00 179.45 179.54 3dwb h ARG 640 N 0.79 1.11 -0.60 3.15 3.08 -1.26 -2.48 114.38 118.17 3dwb h ARG 640 Ca 0.20 -0.21 -0.03 0.00 0.07 0.00 0.00 59.98 60.00 3dwb h ARG 640 Cb 0.04 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 29.89 3dwb h ARG 640 CO -0.03 0.92 0.23 1.96 -1.07 0.00 0.00 179.97 181.98 3dwb h GLN 641 N 1.06 0.87 0.00 0.04 1.08 -1.29 -3.06 115.11 113.82 3dwb h GLN 641 Ca 0.24 -0.14 -0.12 0.00 -1.45 0.00 0.00 58.65 57.18 3dwb h GLN 641 Cb 0.24 -0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 27.50 3dwb h GLN 641 CO -0.02 0.72 -0.57 1.79 -0.95 0.00 0.00 178.83 179.81 3dwb h THR 642 N 0.86 1.34 -0.16 -0.54 1.35 -1.18 -2.92 112.91 111.66 3dwb h THR 642 Ca 0.20 -1.99 -0.03 0.00 -0.55 0.00 0.00 66.41 64.04 3dwb h THR 642 Cb 0.18 2.10 -0.01 0.00 -1.73 0.00 0.00 68.15 68.68 3dwb h THR 642 CO -0.02 0.56 -0.05 -0.33 -0.25 0.00 0.00 175.52 175.43 3dwb h GLU 643 N 0.00 0.23 -0.83 4.72 3.07 -1.34 -1.17 114.58 119.26 3dwb h GLU 643 Ca -0.01 -0.04 0.14 0.00 -0.50 0.00 0.00 59.36 58.96 3dwb h GLU 643 Cb 1.05 -0.04 -0.09 0.00 -0.84 0.00 0.00 28.75 28.83 3dwb h GLU 643 CO 0.07 0.30 0.42 0.00 -1.40 0.00 0.00 179.01 178.40 3dwb h MET 645 N 0.62 0.00 0.60 0.00 2.86 -1.37 0.21 114.93 117.84 3dwb h MET 645 Ca 0.45 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 58.06 3dwb h MET 645 Cb 0.62 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.29 3dwb h MET 645 CO -0.36 0.44 -0.29 0.28 1.06 0.00 0.00 176.91 178.05 3dwb h VAL 646 N 0.00 0.00 -0.72 -2.22 2.07 -0.98 -1.06 116.25 113.34 3dwb h VAL 646 Ca -0.00 -0.12 0.15 0.00 0.82 0.00 0.00 66.70 67.55 3dwb h VAL 646 Cb 1.24 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.88 3dwb h VAL 646 CO 0.06 0.00 -0.11 -0.33 0.02 0.00 0.00 177.57 177.21 3dwb h GLU 647 N -0.92 0.03 0.68 1.57 5.08 -1.12 -0.41 114.58 119.50 3dwb h GLU 647 Ca -0.08 -0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.24 3dwb h GLU 647 Cb 0.61 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.86 3dwb h GLU 647 CO 0.13 0.02 -0.33 0.37 -1.00 0.00 0.00 179.01 178.21 3dwb h GLN 648 N 0.03 -0.88 0.00 2.33 4.15 -0.62 -3.21 115.11 116.91 3dwb h GLN 648 Ca 0.36 0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.84 3dwb h GLN 648 Cb 0.59 0.20 0.00 0.00 0.21 0.00 0.00 27.48 28.48 3dwb h GLN 648 CO -0.70 -0.58 0.00 1.88 -1.93 0.00 0.00 178.83 177.50 3dwb h TYR 649 N -0.96 0.00 0.00 3.99 -1.99 -0.86 -1.92 116.97 115.23 3dwb h TYR 649 Ca -0.09 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.64 3dwb h TYR 649 Cb 0.72 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.45 3dwb h TYR 649 CO -0.02 0.00 0.00 -1.13 -0.00 0.00 0.00 178.16 177.01 3dwb n SER 650 N -2.44 0.00 0.18 3.88 3.41 -0.19 -2.79 113.62 115.66 3dwb n SER 650 Ca 0.04 -0.59 0.12 0.00 -0.26 0.00 0.00 58.87 58.18 3dwb n SER 650 Cb 0.39 -0.12 0.15 0.00 -0.26 0.00 0.00 64.21 64.36 3dwb n SER 650 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 3dwb h ASN 651 N 0.00 0.00 -3.94 4.04 -0.73 -1.35 -3.43 115.58 110.17 3dwb h ASN 651 Ca 0.00 -0.01 -0.48 0.00 1.87 0.00 0.00 56.30 57.68 3dwb h ASN 651 Cb 0.12 0.00 0.01 0.00 0.27 0.00 0.00 38.32 38.72 3dwb h ASN 651 CO 0.00 0.00 0.24 -0.31 -0.37 0.00 0.00 177.43 177.00 3dwb s TYR 652 N -3.24 3.46 0.10 0.67 2.02 -1.12 -4.98 117.35 114.26 3dwb s TYR 652 Ca 0.05 1.25 -0.04 0.00 -0.37 0.00 0.00 57.07 57.96 3dwb s TYR 652 Cb 0.07 -2.62 -0.02 0.00 -0.40 0.00 0.00 41.96 38.99 3dwb s TYR 652 CO 0.70 -0.23 0.10 -1.54 -1.57 0.00 0.00 175.55 173.00 3dwb s SER 653 N -3.11 0.27 -0.07 2.29 1.04 -1.26 -1.46 113.70 111.40 3dwb s SER 653 Ca 0.55 -0.93 -0.03 0.00 0.48 0.00 0.00 55.95 56.02 3dwb s SER 653 Cb -0.10 0.30 0.04 0.00 0.10 0.00 0.00 66.02 66.36 3dwb s SER 653 CO 0.31 -0.71 0.14 -0.69 0.98 0.00 0.00 173.24 173.27 3dwb s VAL 654 N -3.94 -0.19 -1.21 5.02 1.01 0.48 -4.88 120.40 116.69 3dwb s VAL 654 Ca 0.12 0.32 -0.15 0.00 0.00 0.00 0.00 61.98 62.27 3dwb s VAL 654 Cb 0.06 -0.26 -0.01 0.00 0.00 0.00 0.00 36.38 36.18 3dwb s VAL 654 CO -0.06 0.13 0.71 0.59 0.00 0.00 0.00 175.10 176.47 3dwb n ASN 655 N 5.02 -3.88 -1.26 3.32 5.03 -1.26 -2.62 115.26 119.62 3dwb n ASN 655 Ca -0.10 -1.00 -0.15 0.00 0.87 0.00 0.00 54.58 54.20 3dwb n ASN 655 Cb 0.50 -3.36 -0.05 0.00 -1.02 0.00 0.00 39.78 35.85 3dwb n ASN 655 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3dwb n GLY 656 N -1.74 1.05 2.90 7.41 0.00 -1.26 -4.98 105.19 108.57 3dwb n GLY 656 Ca -0.16 -0.32 -0.11 0.00 0.00 0.00 0.00 46.02 45.43 3dwb n GLY 656 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3dwb s GLU 657 N -3.62 0.08 0.81 1.61 -1.05 -1.08 -5.14 118.70 110.31 3dwb s GLU 657 Ca 0.00 -0.15 -0.11 0.00 -0.15 0.00 0.00 54.97 54.57 3dwb s GLU 657 Cb 0.00 0.02 0.08 0.00 -0.44 0.00 0.00 34.13 33.79 3dwb s GLU 657 CO 0.00 -0.01 1.10 -1.25 0.95 0.00 0.00 175.26 176.04 3dwb s PRO 658 N -0.35 1.99 -0.13 -4.83 0.04 -1.26 -0.39 135.00 130.06 3dwb s PRO 658 Ca -0.04 1.15 -0.06 0.00 0.04 0.00 0.00 61.00 62.09 3dwb s PRO 658 Cb -0.02 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.61 3dwb s PRO 658 CO -0.00 -1.83 0.07 0.08 0.04 0.00 0.00 177.00 175.36 3dwb s VAL 659 N -2.89 4.93 -0.46 -0.36 1.01 -0.54 -4.68 120.40 117.41 3dwb s VAL 659 Ca 0.62 -0.00 -0.22 0.00 0.00 0.00 0.00 61.98 62.38 3dwb s VAL 659 Cb -0.18 -3.15 0.03 0.00 0.00 0.00 0.00 36.38 33.08 3dwb s VAL 659 CO 0.56 0.56 0.72 0.21 0.00 0.00 0.00 175.10 177.16 3dwb s ASN 660 N -0.54 6.34 0.24 3.32 3.84 -1.26 -4.00 114.94 122.89 3dwb s ASN 660 Ca 0.11 -0.33 0.05 0.00 0.21 0.00 0.00 52.86 52.90 3dwb s ASN 660 Cb -0.12 -2.35 0.27 0.00 -0.55 0.00 0.00 41.25 38.50 3dwb s ASN 660 CO 0.02 -0.89 1.57 1.23 -2.79 0.00 0.00 177.10 176.25 3dwb h GLY 661 N 9.98 0.25 0.53 1.21 0.00 -1.77 -1.82 103.07 111.45 3dwb h GLY 661 Ca -0.25 -0.30 -0.08 0.00 0.00 0.00 0.00 47.33 46.70 3dwb h GLY 661 CO 0.94 0.27 -0.29 3.21 0.00 0.00 0.00 176.54 180.68 3dwb h ARG 662 N 0.17 0.22 -0.90 4.80 3.08 -1.90 -3.21 114.38 116.64 3dwb h ARG 662 Ca -0.00 -0.22 0.05 0.00 0.07 0.00 0.00 59.98 59.88 3dwb h ARG 662 Cb 1.08 0.06 -0.06 0.00 0.08 0.00 0.00 29.97 31.13 3dwb h ARG 662 CO 0.09 0.92 0.59 1.25 -1.07 0.00 0.00 179.97 181.75 3dwb h HIS 663 N -0.40 1.06 -0.61 3.04 2.76 -1.94 -2.74 115.15 116.32 3dwb h HIS 663 Ca -0.03 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.16 3dwb h HIS 663 Cb 1.01 -0.35 0.00 0.00 1.55 0.00 0.00 27.41 29.63 3dwb h HIS 663 CO 0.16 0.57 0.00 0.25 -1.30 0.00 0.00 177.93 177.62 3dwb n THR 664 N -4.47 0.81 0.22 6.26 -2.24 -0.70 -4.71 114.28 109.45 3dwb n THR 664 Ca 0.13 -0.83 -0.15 0.00 -2.27 0.00 0.00 64.05 60.93 3dwb n THR 664 Cb 0.17 0.47 -0.08 0.00 -2.10 0.00 0.00 70.33 68.79 3dwb n THR 664 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3dwb h LEU 665 N 3.75 -0.43 -0.61 3.22 5.85 -1.48 -1.72 115.31 123.88 3dwb h LEU 665 Ca 0.00 0.01 0.12 0.00 0.84 0.00 0.00 57.88 58.85 3dwb h LEU 665 Cb 0.85 0.11 -0.09 0.00 0.37 0.00 0.00 40.66 41.90 3dwb h LEU 665 CO 0.00 -0.30 0.10 1.23 -0.34 0.00 0.00 178.44 179.13 3dwb h GLY 666 N -0.52 0.76 2.00 3.75 0.00 -1.84 0.35 103.07 107.57 3dwb h GLY 666 Ca -0.05 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.12 3dwb h GLY 666 CO 0.09 -0.15 -0.75 0.83 0.00 0.00 0.00 176.54 176.56 3dwb h GLU 667 N 0.22 0.00 -0.49 4.80 4.39 -1.74 -2.30 114.58 119.45 3dwb h GLU 667 Ca 0.33 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.96 3dwb h GLU 667 Cb 0.51 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.14 3dwb h GLU 667 CO -0.45 0.75 0.05 -0.91 -1.16 0.00 0.00 179.01 177.29 3dwb h ASN 668 N 0.00 0.81 -0.96 1.42 2.35 -0.49 -1.06 115.58 117.65 3dwb h ASN 668 Ca -0.01 -0.28 0.04 0.00 -0.55 0.00 0.00 56.30 55.50 3dwb h ASN 668 Cb 1.50 -0.22 -0.05 0.00 0.05 0.00 0.00 38.32 39.60 3dwb h ASN 668 CO 0.10 0.89 0.63 0.40 -1.65 0.00 0.00 177.43 177.80 3dwb h ILE 669 N 0.71 1.17 -0.08 2.81 2.04 -0.13 -1.12 117.51 122.90 3dwb h ILE 669 Ca 0.15 -0.42 -0.23 0.00 1.00 0.00 0.00 64.86 65.36 3dwb h ILE 669 Cb 0.44 -0.15 0.01 0.00 -0.74 0.00 0.00 36.82 36.38 3dwb h ILE 669 CO 0.02 0.22 -0.85 0.00 0.00 0.00 0.00 178.15 177.53 3dwb h ALA 670 N 1.44 0.33 -0.50 1.87 0.00 -1.33 -1.54 119.26 119.54 3dwb h ALA 670 Ca 0.38 -0.64 0.02 0.00 0.00 0.00 0.00 54.91 54.67 3dwb h ALA 670 Cb 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3dwb h ALA 670 CO -0.12 0.72 0.30 -0.44 0.00 0.00 0.00 179.25 179.72 3dwb h ASP 671 N 0.41 0.49 -0.08 0.00 3.45 -0.94 -1.89 116.42 117.86 3dwb h ASP 671 Ca -0.07 0.00 -0.05 0.00 0.43 0.00 0.00 57.03 57.34 3dwb h ASP 671 Cb 1.48 -0.10 -0.00 0.00 -0.56 0.00 0.00 39.33 40.15 3dwb h ASP 671 CO 0.16 0.35 -0.15 0.78 -1.57 0.00 0.00 179.24 178.82 3dwb h ASN 672 N 0.60 0.28 -0.92 6.45 4.21 -1.16 -1.18 115.58 123.86 3dwb h ASN 672 Ca 0.20 -0.55 0.02 0.00 1.21 0.00 0.00 56.30 57.18 3dwb h ASN 672 Cb 0.00 -0.08 -0.05 0.00 -1.12 0.00 0.00 38.32 37.08 3dwb h ASN 672 CO -0.08 0.77 0.61 1.23 -1.29 0.00 0.00 177.43 178.66 3dwb h GLY 673 N -0.21 1.31 1.11 2.83 0.00 -1.32 -2.67 103.07 104.12 3dwb h GLY 673 Ca 0.01 -0.47 -0.26 0.00 0.00 0.00 0.00 47.33 46.60 3dwb h GLY 673 CO 0.03 0.43 -1.09 -1.33 0.00 0.00 0.00 176.54 174.59 3dwb h GLY 674 N 1.20 0.66 0.24 4.60 0.00 -1.33 0.29 103.07 108.72 3dwb h GLY 674 Ca 0.35 -1.32 0.06 0.00 0.00 0.00 0.00 47.33 46.42 3dwb h GLY 674 CO -0.09 1.16 -0.17 -2.00 0.00 0.00 0.00 176.54 175.44 3dwb h LEU 675 N 0.18 -0.56 -0.31 3.11 5.85 -1.23 -1.34 115.31 121.00 3dwb h LEU 675 Ca -0.16 0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 3dwb h LEU 675 Cb 1.78 0.29 -0.01 0.00 0.37 0.00 0.00 40.66 43.08 3dwb h LEU 675 CO 0.21 -0.21 0.14 0.50 -0.34 0.00 0.00 178.44 178.75 3dwb h LYS 676 N -0.15 0.46 -0.34 1.25 3.64 -1.50 -1.55 116.57 118.39 3dwb h LYS 676 Ca 0.15 -0.07 -0.06 0.00 -1.27 0.00 0.00 60.65 59.40 3dwb h LYS 676 Cb 0.37 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.09 3dwb h LYS 676 CO -0.36 0.44 -0.04 0.00 -2.27 0.00 0.00 179.45 177.21 3dwb h ALA 677 N 1.00 1.31 -0.36 5.00 0.00 -0.86 -2.34 119.26 123.01 3dwb h ALA 677 Ca 0.11 -0.23 -0.15 0.00 0.00 0.00 0.00 54.91 54.64 3dwb h ALA 677 Cb 0.14 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3dwb h ALA 677 CO -0.01 0.47 -0.38 0.00 0.00 0.00 0.00 179.25 179.33 3dwb h ALA 678 N 1.45 0.65 -0.05 0.00 0.00 -0.98 -1.49 119.26 118.84 3dwb h ALA 678 Ca 0.10 -0.45 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 3dwb h ALA 678 Cb 0.39 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 3dwb h ALA 678 CO 0.02 0.67 -0.03 -0.92 0.00 0.00 0.00 179.25 178.99 3dwb h TYR 679 N 0.70 0.13 -0.42 0.00 3.20 -1.18 -0.67 116.97 118.72 3dwb h TYR 679 Ca 0.06 -0.03 0.08 0.00 3.14 0.00 0.00 58.73 61.98 3dwb h TYR 679 Cb 0.95 -0.03 -0.07 0.00 1.54 0.00 0.00 36.73 39.12 3dwb h TYR 679 CO 0.06 0.52 -0.04 -0.09 -1.64 0.00 0.00 178.16 176.96 3dwb h ARG 680 N -0.30 0.06 -0.95 1.82 9.65 -1.43 0.11 114.38 123.33 3dwb h ARG 680 Ca 0.01 -0.00 0.08 0.00 -1.10 0.00 0.00 59.98 58.97 3dwb h ARG 680 Cb 0.49 -0.01 -0.07 0.00 -1.39 0.00 0.00 29.97 28.99 3dwb h ARG 680 CO 0.01 0.04 0.60 0.00 2.80 0.00 0.00 179.97 183.41 3dwb h ALA 681 N 1.39 1.35 -0.28 2.80 0.00 -1.16 0.31 119.26 123.68 3dwb h ALA 681 Ca 0.21 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.02 3dwb h ALA 681 Cb 0.31 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3dwb h ALA 681 CO -0.39 0.31 -0.22 -0.92 0.00 0.00 0.00 179.25 178.03 3dwb h TYR 682 N 1.04 0.60 -0.53 0.00 3.20 -0.20 -0.14 116.97 120.93 3dwb h TYR 682 Ca 0.43 -0.12 -0.06 0.00 3.14 0.00 0.00 58.73 62.12 3dwb h TYR 682 Cb 0.28 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.38 3dwb h TYR 682 CO -0.02 0.72 0.09 1.96 -1.64 0.00 0.00 178.16 179.27 3dwb h GLN 683 N 0.48 0.87 -0.01 1.82 1.08 0.73 -1.95 115.11 118.12 3dwb h GLN 683 Ca 0.07 -0.23 0.03 0.00 -1.45 0.00 0.00 58.65 57.07 3dwb h GLN 683 Cb 0.65 -0.10 -0.04 0.00 -0.05 0.00 0.00 27.48 27.93 3dwb h GLN 683 CO 0.05 0.85 -0.23 -0.91 -0.95 0.00 0.00 178.83 177.64 3dwb h ASN 684 N 0.76 -0.69 -0.42 1.46 2.35 -0.05 0.16 115.58 119.14 3dwb h ASN 684 Ca 0.16 0.10 0.08 0.00 -0.55 0.00 0.00 56.30 56.09 3dwb h ASN 684 Cb 0.40 0.29 -0.08 0.00 0.05 0.00 0.00 38.32 38.97 3dwb h ASN 684 CO 0.01 -0.30 -0.11 -0.25 -1.65 0.00 0.00 177.43 175.13 3dwb h TRP 685 N -0.36 -0.24 -0.23 1.19 7.01 -1.02 -1.01 115.95 121.29 3dwb h TRP 685 Ca 0.07 0.04 -0.04 0.00 2.11 0.00 0.00 58.89 61.07 3dwb h TRP 685 Cb 0.45 0.17 -0.01 0.00 -2.10 0.00 0.00 29.16 27.66 3dwb h TRP 685 CO -0.28 -0.19 -0.02 0.28 -2.79 0.00 0.00 178.44 175.44 3dwb h VAL 686 N -0.01 1.16 -0.42 2.65 2.07 -1.01 0.73 116.25 121.43 3dwb h VAL 686 Ca 0.20 -0.64 -0.02 0.00 0.82 0.00 0.00 66.70 67.06 3dwb h VAL 686 Cb 0.32 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 3dwb h VAL 686 CO -0.44 0.21 0.17 0.50 0.02 0.00 0.00 177.57 178.03 3dwb h LYS 687 N 0.34 0.62 -0.03 1.57 3.64 0.34 0.50 116.57 123.55 3dwb h LYS 687 Ca 0.08 -0.11 -0.15 0.00 -1.27 0.00 0.00 60.65 59.20 3dwb h LYS 687 Cb 0.27 -0.10 0.01 0.00 -0.41 0.00 0.00 32.23 32.00 3dwb h LYS 687 CO 0.01 0.58 -0.56 -0.22 -2.27 0.00 0.00 179.45 176.98 3dwb h LYS 688 N 0.53 0.44 0.00 1.90 3.64 -0.85 -3.40 116.57 118.82 3dwb h LYS 688 Ca 0.14 -0.43 -0.14 0.00 -1.27 0.00 0.00 60.65 58.95 3dwb h LYS 688 Cb 0.18 0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.09 3dwb h LYS 688 CO -0.01 1.08 -1.86 0.09 -2.27 0.00 0.00 179.45 176.48 3dwb n ASN 689 N -4.23 1.43 0.00 4.20 3.02 0.22 -5.11 115.26 114.79 3dwb n ASN 689 Ca -0.10 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.45 3dwb n ASN 689 Cb 0.65 1.26 0.00 0.00 -0.61 0.00 0.00 39.78 41.08 3dwb n ASN 689 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dwb n GLY 690 N 1.87 0.14 3.68 7.41 0.00 0.16 -4.97 105.19 113.50 3dwb n GLY 690 Ca -0.14 -1.57 -0.45 0.00 0.00 0.00 0.00 46.02 43.86 3dwb n GLY 690 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dwb n ALA 691 N 0.53 1.73 -1.18 4.61 0.00 -1.26 -4.81 120.51 120.13 3dwb n ALA 691 Ca 0.00 0.43 -0.29 0.00 0.00 0.00 0.00 53.44 53.58 3dwb n ALA 691 Cb 0.00 -2.40 0.17 0.00 0.00 0.00 0.00 19.45 17.22 3dwb n ALA 691 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3dwb s GLU 692 N 1.12 0.51 0.97 0.00 2.02 -1.26 -5.05 118.70 117.01 3dwb s GLU 692 Ca 0.78 0.54 -0.12 0.00 0.02 0.00 0.00 54.97 56.19 3dwb s GLU 692 Cb -0.63 -1.75 0.17 0.00 0.10 0.00 0.00 34.13 32.02 3dwb s GLU 692 CO 0.37 -2.68 1.09 -1.01 0.02 0.00 0.00 175.26 173.05 3dwb s HIS 693 N -2.97 2.16 0.23 1.61 3.76 -1.26 -4.98 115.29 113.83 3dwb s HIS 693 Ca 0.65 1.08 0.03 0.00 -0.15 0.00 0.00 55.06 56.67 3dwb s HIS 693 Cb -0.18 -3.23 -0.03 0.00 1.11 0.00 0.00 32.58 30.24 3dwb s HIS 693 CO 0.57 -2.75 0.37 -1.12 -0.85 0.00 0.00 174.74 170.97 3dwb s SER 694 N -3.43 6.33 0.57 1.40 0.01 -1.26 -4.92 113.70 112.40 3dwb s SER 694 Ca 0.65 0.20 -0.15 0.00 1.31 0.00 0.00 55.95 57.96 3dwb s SER 694 Cb -0.18 -1.92 -0.05 0.00 0.21 0.00 0.00 66.02 64.07 3dwb s SER 694 CO 0.57 -0.07 1.02 -0.76 0.41 0.00 0.00 173.24 174.42 3dwb s LEU 695 N -3.74 3.51 -0.13 2.44 1.43 -1.26 -5.04 118.68 115.89 3dwb s LEU 695 Ca 0.36 1.66 -0.10 0.00 -1.03 0.00 0.00 54.13 55.02 3dwb s LEU 695 Cb -0.10 -4.52 -0.03 0.00 0.03 0.00 0.00 46.19 41.57 3dwb s LEU 695 CO 0.30 -0.91 -0.20 -0.81 0.23 0.00 0.00 176.35 174.96 3dwb n PRO 696 N -1.96 0.41 0.03 1.29 -0.04 -1.26 -4.25 135.00 129.22 3dwb n PRO 696 Ca 0.07 0.38 0.03 0.00 -0.04 0.00 0.00 63.50 63.95 3dwb n PRO 696 Cb 0.53 -1.47 0.41 0.00 -0.04 0.00 0.00 33.50 32.94 3dwb n PRO 696 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 3dwb h THR 697 N -0.86 1.12 -3.95 0.52 2.02 -1.97 -3.43 112.91 106.36 3dwb h THR 697 Ca 0.00 -0.34 -0.53 0.00 0.77 0.00 0.00 66.41 66.31 3dwb h THR 697 Cb 0.58 0.69 0.20 0.00 -1.74 0.00 0.00 68.15 67.87 3dwb h THR 697 CO 0.00 0.14 0.00 0.18 0.37 0.00 0.00 175.52 176.21 3dwb n LEU 698 N -4.43 2.53 -1.63 2.58 4.77 -1.26 -4.91 117.00 114.66 3dwb n LEU 698 Ca 0.02 0.45 -0.13 0.00 -0.03 0.00 0.00 56.01 56.32 3dwb n LEU 698 Cb 0.11 -1.40 0.18 0.00 -2.33 0.00 0.00 43.42 39.99 3dwb n LEU 698 CO 0.36 -2.49 0.92 0.61 -1.33 0.00 0.00 177.39 175.47 3dwb n GLY 699 N 0.76 4.86 3.05 -0.72 0.00 -1.26 -4.99 105.19 106.90 3dwb n GLY 699 Ca 0.11 -1.27 -0.22 0.00 0.00 0.00 0.00 46.02 44.63 3dwb n GLY 699 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dwb s LEU 700 N -3.31 1.85 0.99 0.99 1.43 -1.26 -5.14 118.68 114.23 3dwb s LEU 700 Ca 0.50 -0.25 -0.12 0.00 -1.03 0.00 0.00 54.13 53.23 3dwb s LEU 700 Cb 0.44 -0.70 0.18 0.00 0.03 0.00 0.00 46.19 46.14 3dwb s LEU 700 CO 0.04 0.10 1.10 0.42 0.23 0.00 0.00 176.35 178.24 3dwb s THR 701 N 0.09 2.00 0.21 5.49 -4.23 -1.26 -4.62 115.64 113.31 3dwb s THR 701 Ca -0.02 0.00 -0.08 0.00 -1.18 0.00 0.00 61.69 60.41 3dwb s THR 701 Cb -0.09 -2.55 0.14 0.00 1.34 0.00 0.00 72.50 71.33 3dwb s THR 701 CO 0.01 0.00 1.74 0.78 -0.54 0.00 0.00 174.62 176.61 3dwb h ASN 702 N -1.85 1.09 0.20 3.99 2.35 -1.93 0.14 115.58 119.56 3dwb h ASN 702 Ca -0.54 -0.21 -0.06 0.00 -0.55 0.00 0.00 56.30 54.94 3dwb h ASN 702 Cb 1.33 -0.29 -0.01 0.00 0.05 0.00 0.00 38.32 39.41 3dwb h ASN 702 CO 0.59 1.01 -0.25 0.78 -1.65 0.00 0.00 177.43 177.91 3dwb h ASN 703 N 1.11 0.09 -0.00 5.81 2.35 -1.99 0.56 115.58 123.52 3dwb h ASN 703 Ca 0.24 -0.02 -0.15 0.00 -0.55 0.00 0.00 56.30 55.82 3dwb h ASN 703 Cb 0.31 -0.02 0.01 0.00 0.05 0.00 0.00 38.32 38.67 3dwb h ASN 703 CO -0.01 0.35 -0.57 1.56 -1.65 0.00 0.00 177.43 177.11 3dwb h GLN 704 N 0.09 0.39 -0.83 0.81 4.20 -1.83 -3.29 115.11 114.66 3dwb h GLN 704 Ca 0.01 -0.42 0.20 0.00 0.06 0.00 0.00 58.65 58.50 3dwb h GLN 704 Cb 0.49 0.12 -0.12 0.00 0.30 0.00 0.00 27.48 28.27 3dwb h GLN 704 CO 0.03 1.09 0.27 1.25 -0.67 0.00 0.00 178.83 180.81 3dwb h LEU 705 N -0.13 0.14 -0.63 1.46 5.85 -0.10 -1.08 115.31 120.81 3dwb h LEU 705 Ca -0.07 0.16 0.11 0.00 0.84 0.00 0.00 57.88 58.91 3dwb h LEU 705 Cb 1.29 0.18 -0.12 0.00 0.37 0.00 0.00 40.66 42.38 3dwb h LEU 705 CO 0.11 -0.04 -0.35 0.15 -0.34 0.00 0.00 178.44 177.98 3dwb h PHE 706 N 0.32 -0.97 -0.36 1.25 3.04 -0.97 0.24 116.94 119.48 3dwb h PHE 706 Ca 0.50 0.08 -0.14 0.00 3.98 0.00 0.00 57.97 62.38 3dwb h PHE 706 Cb 0.91 0.52 -0.01 0.00 2.56 0.00 0.00 35.95 39.93 3dwb h PHE 706 CO -0.21 -0.39 -0.33 0.74 -2.02 0.00 0.00 178.31 176.10 3dwb h PHE 707 N -0.15 0.96 0.14 0.41 -1.00 -1.36 -2.37 116.94 113.58 3dwb h PHE 707 Ca 0.24 -0.26 -0.01 0.00 2.81 0.00 0.00 57.97 60.75 3dwb h PHE 707 Cb 0.56 -0.21 0.00 0.00 3.61 0.00 0.00 35.95 39.91 3dwb h PHE 707 CO -0.67 1.04 -0.07 1.25 -1.61 0.00 0.00 178.31 178.25 3dwb h LEU 708 N 0.68 -0.16 -0.62 1.54 5.85 -0.72 -2.30 115.31 119.59 3dwb h LEU 708 Ca 0.07 -0.21 0.11 0.00 0.84 0.00 0.00 57.88 58.68 3dwb h LEU 708 Cb 0.88 0.04 -0.08 0.00 0.37 0.00 0.00 40.66 41.88 3dwb h LEU 708 CO 0.08 0.13 0.19 1.23 -0.34 0.00 0.00 178.44 179.73 3dwb h GLY 709 N -0.46 0.84 0.06 3.75 0.00 -0.51 -1.61 103.07 105.14 3dwb h GLY 709 Ca -0.02 -0.08 0.04 0.00 0.00 0.00 0.00 47.33 47.26 3dwb h GLY 709 CO 0.03 -0.07 -0.43 -2.75 0.00 0.00 0.00 176.54 173.33 3dwb h PHE 710 N 0.35 -1.22 -0.78 5.60 3.04 -1.34 -2.01 116.94 120.58 3dwb h PHE 710 Ca 0.32 0.04 0.10 0.00 3.98 0.00 0.00 57.97 62.41 3dwb h PHE 710 Cb 0.44 0.55 -0.05 0.00 2.56 0.00 0.00 35.95 39.44 3dwb h PHE 710 CO -0.20 -0.49 0.51 0.00 -2.02 0.00 0.00 178.31 176.11 3dwb h ALA 711 N 0.03 1.80 0.00 2.41 0.00 -0.97 -2.67 119.26 119.86 3dwb h ALA 711 Ca 0.06 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3dwb h ALA 711 Cb 0.64 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 3dwb h ALA 711 CO -0.37 0.03 -0.08 1.96 0.00 0.00 0.00 179.25 180.80 3dwb h GLN 712 N 0.69 0.00 -0.89 0.00 4.20 -0.55 -2.19 115.11 116.36 3dwb h GLN 712 Ca 0.36 0.00 0.03 0.00 0.06 0.00 0.00 58.65 59.10 3dwb h GLN 712 Cb 0.49 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.22 3dwb h GLN 712 CO -0.14 0.08 0.58 0.28 -0.67 0.00 0.00 178.83 178.96 3dwb h VAL 713 N 0.00 1.17 -0.38 -0.54 2.07 -1.23 -2.94 116.25 114.39 3dwb h VAL 713 Ca -0.00 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.13 3dwb h VAL 713 Cb 0.67 -0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 3dwb h VAL 713 CO 0.01 0.21 0.00 0.79 0.02 0.00 0.00 177.57 178.60 3dwb n TRP 714 N -4.51 0.62 -1.68 1.57 7.02 -0.83 -4.28 117.44 115.35 3dwb n TRP 714 Ca 0.11 -0.28 -0.42 0.00 -1.02 0.00 0.00 57.50 55.89 3dwb n TRP 714 Cb 0.07 -0.05 -0.03 0.00 -2.42 0.00 0.00 31.31 28.88 3dwb n TRP 714 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3dwb s SER 716 N 3.29 -0.59 0.09 0.00 1.04 -1.26 -3.87 113.70 112.41 3dwb s SER 716 Ca 0.84 0.51 0.08 0.00 0.48 0.00 0.00 55.95 57.86 3dwb s SER 716 Cb -0.46 0.51 -0.03 0.00 0.10 0.00 0.00 66.02 66.14 3dwb s SER 716 CO 0.39 -0.65 -0.20 0.68 0.98 0.00 0.00 173.24 174.44 3dwb s VAL 717 N -1.75 1.61 0.14 5.02 -7.23 -0.18 -4.90 120.40 113.10 3dwb s VAL 717 Ca -0.07 -1.49 -0.15 0.00 -1.81 0.00 0.00 61.98 58.46 3dwb s VAL 717 Cb -0.00 -1.47 0.03 0.00 0.56 0.00 0.00 36.38 35.49 3dwb s VAL 717 CO 0.04 -0.08 0.41 0.00 -0.31 0.00 0.00 175.10 175.16 3dwb s ARG 718 N -1.85 1.14 0.32 4.82 1.70 -1.26 -0.31 118.95 123.52 3dwb s ARG 718 Ca 0.05 -0.80 -0.29 0.00 -0.47 0.00 0.00 55.73 54.21 3dwb s ARG 718 Cb -0.10 0.47 -0.11 0.00 -0.57 0.00 0.00 34.95 34.64 3dwb s ARG 718 CO 0.04 -0.45 1.48 0.99 -1.08 0.00 0.00 175.30 176.28 3dwb s THR 719 N -3.84 2.27 0.54 4.99 2.01 -0.17 -4.85 115.64 116.58 3dwb s THR 719 Ca 0.06 0.25 0.21 0.00 0.31 0.00 0.00 61.69 62.52 3dwb s THR 719 Cb 0.01 -3.16 0.33 0.00 0.01 0.00 0.00 72.50 69.69 3dwb s THR 719 CO -0.09 0.05 2.11 1.55 -0.69 0.00 0.00 174.62 177.55 3dwb h PRO 720 N 3.99 0.00 -0.11 4.92 0.13 -2.01 0.67 132.00 139.59 3dwb h PRO 720 Ca -0.48 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.50 3dwb h PRO 720 Cb 1.23 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.36 3dwb h PRO 720 CO 0.71 0.00 -0.51 0.93 -0.23 0.00 0.00 178.00 178.90 3dwb h GLU 721 N 0.00 0.55 -0.75 0.86 5.08 -1.98 -3.25 114.58 115.09 3dwb h GLU 721 Ca 0.08 -0.44 0.10 0.00 -1.00 0.00 0.00 59.36 58.10 3dwb h GLU 721 Cb 0.36 0.09 -0.07 0.00 0.50 0.00 0.00 28.75 29.62 3dwb h GLU 721 CO -0.00 1.06 0.38 1.03 -1.00 0.00 0.00 179.01 180.49 3dwb h SER 722 N 0.16 0.50 -0.79 1.42 0.87 -1.23 -1.51 113.55 112.98 3dwb h SER 722 Ca -0.03 0.06 -0.05 0.00 -1.23 0.00 0.00 61.79 60.54 3dwb h SER 722 Cb 1.15 -0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 63.05 3dwb h SER 722 CO 0.11 0.28 0.31 0.28 -0.53 0.00 0.00 176.83 177.28 3dwb h SER 723 N 0.64 1.09 0.00 6.23 0.02 -1.51 1.27 113.55 121.30 3dwb h SER 723 Ca 0.37 -0.17 -0.02 0.00 -0.84 0.00 0.00 61.79 61.12 3dwb h SER 723 Cb 0.40 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 3dwb h SER 723 CO -0.27 0.97 -0.05 -0.74 -1.14 0.00 0.00 176.83 175.59 3dwb h HIS 724 N 1.15 0.14 0.00 3.45 6.17 -1.34 -2.92 115.15 121.81 3dwb h HIS 724 Ca 0.26 -0.01 -0.09 0.00 0.71 0.00 0.00 60.37 61.24 3dwb h HIS 724 Cb 0.22 -0.04 -0.01 0.00 2.52 0.00 0.00 27.41 30.09 3dwb h HIS 724 CO 0.02 0.20 -0.66 1.49 0.71 0.00 0.00 177.93 179.70 3dwb h GLU 725 N 0.14 0.00 -0.74 5.26 4.22 -0.43 -3.35 114.58 119.68 3dwb h GLU 725 Ca 0.03 0.00 0.15 0.00 0.08 0.00 0.00 59.36 59.62 3dwb h GLU 725 Cb 0.19 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.34 3dwb h GLU 725 CO 0.01 0.56 0.26 0.78 -2.18 0.00 0.00 179.01 178.44 3dwb h GLY 726 N -1.00 1.10 0.83 1.92 0.00 0.14 0.13 103.07 106.19 3dwb h GLY 726 Ca -0.14 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.08 3dwb h GLY 726 CO -0.08 -0.14 0.13 -0.10 0.00 0.00 0.00 176.54 176.34 3dwb n LEU 727 N -5.06 0.00 0.00 3.11 7.94 -1.10 -0.25 117.00 121.64 3dwb n LEU 727 Ca 0.14 0.15 0.00 0.00 -1.11 0.00 0.00 56.01 55.19 3dwb n LEU 727 Cb 0.43 -0.15 0.00 0.00 0.53 0.00 0.00 43.42 44.24 3dwb n LEU 727 CO 0.16 -0.15 -0.27 -0.38 -1.11 0.00 0.00 177.39 175.64 3dwb n ILE 728 N -1.04 0.00 -0.09 1.96 5.41 0.29 -4.51 119.36 121.38 3dwb n ILE 728 Ca 0.00 0.00 -0.14 0.00 1.00 0.00 0.00 62.75 63.61 3dwb n ILE 728 Cb 0.13 -0.50 -0.14 0.00 -0.71 0.00 0.00 39.64 38.42 3dwb n ILE 728 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 3dwb n THR 729 N -1.29 1.49 -2.84 1.39 -1.04 -0.32 -4.98 114.28 106.69 3dwb n THR 729 Ca 0.00 -0.73 -0.41 0.00 -2.04 0.00 0.00 64.05 60.87 3dwb n THR 729 Cb 0.26 -0.98 -0.04 0.00 -1.82 0.00 0.00 70.33 67.75 3dwb n THR 729 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3dwb s ASP 730 N -6.07 7.22 0.43 8.00 -1.08 0.65 -4.91 116.67 120.92 3dwb s ASP 730 Ca -0.19 1.48 0.24 0.00 -0.52 0.00 0.00 52.55 53.55 3dwb s ASP 730 Cb 0.07 -2.51 0.55 0.00 -1.46 0.00 0.00 42.92 39.57 3dwb s ASP 730 CO 0.74 -0.21 1.67 1.55 0.52 0.00 0.00 175.17 179.45 3dwb h PRO 731 N 6.79 0.00 -6.92 4.34 0.13 -1.87 -3.44 132.00 131.03 3dwb h PRO 731 Ca -0.41 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.23 3dwb h PRO 731 Cb 1.21 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.37 3dwb h PRO 731 CO 0.75 0.11 0.45 -1.01 -0.23 0.00 0.00 178.00 178.07 3dwb s HIS 732 N -3.30 3.31 0.68 1.56 3.76 -1.26 -4.33 115.29 115.71 3dwb s HIS 732 Ca 0.05 1.64 -0.14 0.00 -0.15 0.00 0.00 55.06 56.46 3dwb s HIS 732 Cb 0.07 -3.22 0.01 0.00 1.11 0.00 0.00 32.58 30.55 3dwb s HIS 732 CO 0.66 -0.75 1.10 -1.12 -0.85 0.00 0.00 174.74 173.78 3dwb s SER 733 N -1.30 5.01 0.33 1.40 0.01 -1.26 -4.97 113.70 112.91 3dwb s SER 733 Ca 0.54 1.94 -0.28 0.00 1.31 0.00 0.00 55.95 59.46 3dwb s SER 733 Cb -0.26 -2.54 -0.13 0.00 0.21 0.00 0.00 66.02 63.30 3dwb s SER 733 CO 0.33 -1.70 1.17 -2.65 0.41 0.00 0.00 173.24 170.80 3dwb n PRO 734 N -2.68 1.78 -0.33 12.44 -0.02 -1.26 -4.68 135.00 140.26 3dwb n PRO 734 Ca 0.10 0.63 0.24 0.00 -2.02 0.00 0.00 63.50 62.45 3dwb n PRO 734 Cb 0.52 -2.13 0.46 0.00 -0.02 0.00 0.00 33.50 32.34 3dwb n PRO 734 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 3dwb h SER 735 N 2.26 0.11 -0.27 2.55 0.02 -1.94 -1.69 113.55 114.59 3dwb h SER 735 Ca -0.44 0.25 -0.15 0.00 -0.84 0.00 0.00 61.79 60.61 3dwb h SER 735 Cb 1.31 0.31 -0.01 0.00 0.14 0.00 0.00 62.40 64.15 3dwb h SER 735 CO 0.61 -0.34 -0.38 0.08 -1.14 0.00 0.00 176.83 175.66 3dwb h ARG 736 N 0.07 0.81 0.00 3.45 0.11 -1.88 -2.19 114.38 114.75 3dwb h ARG 736 Ca 0.74 -0.42 0.00 0.00 0.10 0.00 0.00 59.98 60.40 3dwb h ARG 736 Cb 1.78 0.01 0.00 0.00 1.11 0.00 0.00 29.97 32.87 3dwb h ARG 736 CO -0.78 1.05 0.00 1.19 0.10 0.00 0.00 179.97 181.54 3dwb n PHE 737 N -4.05 0.53 -0.05 4.08 3.01 -0.76 -1.11 117.46 119.11 3dwb n PHE 737 Ca -0.02 0.16 -0.12 0.00 1.01 0.00 0.00 57.45 58.48 3dwb n PHE 737 Cb 0.53 -0.76 -0.06 0.00 -0.01 0.00 0.00 39.48 39.18 3dwb n PHE 737 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3dwb h ARG 738 N 0.00 0.28 0.66 -1.08 3.08 -0.71 -0.19 114.38 116.43 3dwb h ARG 738 Ca 0.00 -0.09 -0.03 0.00 0.07 0.00 0.00 59.98 59.93 3dwb h ARG 738 Cb 0.62 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.64 3dwb h ARG 738 CO 0.00 0.50 -0.38 0.28 -1.07 0.00 0.00 179.97 179.30 3dwb h VAL 739 N 0.02 0.23 -0.20 2.04 2.07 -1.39 -2.83 116.25 116.19 3dwb h VAL 739 Ca 0.04 0.00 -0.19 0.00 0.82 0.00 0.00 66.70 67.38 3dwb h VAL 739 Cb 0.38 0.23 -0.00 0.00 -1.52 0.00 0.00 31.29 30.37 3dwb h VAL 739 CO 0.01 0.00 -0.62 0.40 0.02 0.00 0.00 177.57 177.38 3dwb h ILE 740 N -0.97 1.30 -0.16 4.57 2.04 -1.16 -0.09 117.51 123.03 3dwb h ILE 740 Ca -0.08 -1.86 -0.13 0.00 1.00 0.00 0.00 64.86 63.79 3dwb h ILE 740 Cb 0.78 1.81 -0.01 0.00 -0.74 0.00 0.00 36.82 38.66 3dwb h ILE 740 CO 0.10 0.59 -0.45 1.23 0.00 0.00 0.00 178.15 179.62 3dwb h GLY 741 N 0.87 0.43 0.37 5.37 0.00 -1.14 -1.17 103.07 107.79 3dwb h GLY 741 Ca -0.01 -0.44 -0.01 0.00 0.00 0.00 0.00 47.33 46.87 3dwb h GLY 741 CO 0.12 0.40 -0.11 1.76 0.00 0.00 0.00 176.54 178.71 3dwb h SER 742 N 0.32 -0.27 -0.75 0.19 0.02 -1.23 -3.20 113.55 108.64 3dwb h SER 742 Ca 0.02 -0.22 0.12 0.00 -0.84 0.00 0.00 61.79 60.87 3dwb h SER 742 Cb 0.92 0.07 -0.05 0.00 0.14 0.00 0.00 62.40 63.48 3dwb h SER 742 CO 0.08 0.25 0.49 -0.07 -1.14 0.00 0.00 176.83 176.44 3dwb h LEU 743 N -0.95 0.50 -1.30 5.07 3.38 -1.08 -1.98 115.31 118.94 3dwb h LEU 743 Ca -0.03 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 3dwb h LEU 743 Cb 0.47 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 3dwb h LEU 743 CO 0.05 0.28 -0.18 0.28 0.09 0.00 0.00 178.44 178.96 3dwb h SER 744 N 0.54 0.00 0.11 -0.43 0.02 -1.29 -1.60 113.55 110.90 3dwb h SER 744 Ca 0.36 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.31 3dwb h SER 744 Cb 0.64 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.18 3dwb h SER 744 CO -0.13 0.18 -0.12 0.59 -1.14 0.00 0.00 176.83 176.22 3dwb n ASN 745 N -3.40 1.24 -4.47 3.07 3.02 -0.75 -4.36 115.26 109.61 3dwb n ASN 745 Ca -0.00 -1.19 -0.43 0.00 -0.03 0.00 0.00 54.58 52.93 3dwb n ASN 745 Cb 0.38 0.06 -0.10 0.00 -0.61 0.00 0.00 39.78 39.51 3dwb n ASN 745 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3dwb s SER 746 N -2.24 6.12 0.34 6.41 0.15 -0.60 -4.77 113.70 119.11 3dwb s SER 746 Ca 0.32 -0.83 0.07 0.00 0.70 0.00 0.00 55.95 56.21 3dwb s SER 746 Cb 0.20 -2.17 0.75 0.00 -1.71 0.00 0.00 66.02 63.09 3dwb s SER 746 CO 0.42 -0.46 1.87 0.50 1.20 0.00 0.00 173.24 176.78 3dwb h LYS 747 N 8.64 0.75 -0.12 5.44 3.64 -1.87 -2.95 116.57 130.09 3dwb h LYS 747 Ca -0.27 -0.05 -0.15 0.00 -1.27 0.00 0.00 60.65 58.92 3dwb h LYS 747 Cb 1.12 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.76 3dwb h LYS 747 CO 0.73 0.50 -0.56 0.93 -2.27 0.00 0.00 179.45 178.78 3dwb h GLU 748 N 0.77 0.36 -0.11 1.90 3.07 -1.92 0.17 114.58 118.82 3dwb h GLU 748 Ca 0.44 -0.23 -0.00 0.00 -0.50 0.00 0.00 59.36 59.06 3dwb h GLU 748 Cb 0.61 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.54 3dwb h GLU 748 CO -0.20 0.83 0.05 0.35 -1.40 0.00 0.00 179.01 178.64 3dwb h PHE 749 N 0.28 0.16 -0.45 4.33 3.04 -1.82 -2.61 116.94 119.88 3dwb h PHE 749 Ca 0.00 -0.01 -0.04 0.00 3.98 0.00 0.00 57.97 61.90 3dwb h PHE 749 Cb 1.07 -0.05 -0.02 0.00 2.56 0.00 0.00 35.95 39.52 3dwb h PHE 749 CO 0.03 0.22 0.12 0.77 -2.02 0.00 0.00 178.31 177.43 3dwb h SER 750 N 0.05 0.67 -0.68 0.41 0.02 -1.27 -1.57 113.55 111.19 3dwb h SER 750 Ca 0.04 -0.22 0.11 0.00 -0.84 0.00 0.00 61.79 60.88 3dwb h SER 750 Cb 0.12 -0.18 -0.08 0.00 0.14 0.00 0.00 62.40 62.41 3dwb h SER 750 CO -0.00 0.71 0.28 -0.33 -1.14 0.00 0.00 176.83 176.35 3dwb h GLU 751 N 0.59 0.46 0.00 3.45 4.39 -0.70 0.30 114.58 123.06 3dwb h GLU 751 Ca 0.14 -0.03 -0.14 0.00 0.34 0.00 0.00 59.36 59.67 3dwb h GLU 751 Cb 0.30 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.82 3dwb h GLU 751 CO -0.00 0.30 -0.67 0.45 -1.16 0.00 0.00 179.01 177.93 3dwb h HIS 752 N 0.47 0.00 -0.72 4.33 3.86 -1.09 -2.60 115.15 119.40 3dwb h HIS 752 Ca 0.35 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.56 3dwb h HIS 752 Cb 0.45 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.92 3dwb h HIS 752 CO -0.15 0.67 0.00 1.19 0.86 0.00 0.00 177.93 180.50 3dwb n PHE 753 N -3.28 0.96 -4.19 2.45 3.72 -0.62 -4.90 117.46 111.60 3dwb n PHE 753 Ca 0.01 -0.48 -0.38 0.00 -0.05 0.00 0.00 57.45 56.55 3dwb n PHE 753 Cb 0.80 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 39.30 3dwb n PHE 753 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 176.76 179.60 3dwb n ARG 754 N 1.65 -0.69 -2.53 -1.08 1.85 0.10 -4.86 116.66 111.11 3dwb n ARG 754 Ca 0.24 0.09 -0.43 0.00 -1.00 0.00 0.00 57.85 56.76 3dwb n ARG 754 Cb 0.62 -3.11 -0.02 0.00 -1.05 0.00 0.00 32.46 28.90 3dwb n ARG 754 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3dwb s PRO 756 N 2.95 0.71 0.41 0.00 0.02 -1.26 -4.83 135.00 133.01 3dwb s PRO 756 Ca 0.51 1.45 0.16 0.00 0.02 0.00 0.00 61.00 63.14 3dwb s PRO 756 Cb -0.20 -1.70 0.56 0.00 0.02 0.00 0.00 34.50 33.18 3dwb s PRO 756 CO 0.14 -2.81 0.85 -2.30 -0.33 0.00 0.00 177.00 172.56 3dwb n PRO 757 N -4.35 0.01 -2.64 5.54 -0.02 -1.26 -1.32 135.00 130.96 3dwb n PRO 757 Ca 0.11 0.68 -0.04 0.00 -2.02 0.00 0.00 63.50 62.22 3dwb n PRO 757 Cb 0.52 -1.71 0.11 0.00 -0.02 0.00 0.00 33.50 32.41 3dwb n PRO 757 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dwb n GLY 758 N -1.39 1.47 3.72 -1.23 0.00 -1.26 -4.58 105.19 101.93 3dwb n GLY 758 Ca 0.14 -0.13 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 3dwb n GLY 758 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3dwb s SER 759 N -1.08 3.77 0.29 1.61 1.04 -0.43 -4.93 113.70 113.97 3dwb s SER 759 Ca 0.15 1.92 0.03 0.00 0.48 0.00 0.00 55.95 58.53 3dwb s SER 759 Cb 0.39 -2.51 0.72 0.00 0.10 0.00 0.00 66.02 64.73 3dwb s SER 759 CO -0.10 -2.52 1.67 -0.65 0.98 0.00 0.00 173.24 172.62 3dwb h PRO 760 N -1.46 0.29 -0.13 4.02 0.11 -1.80 -0.61 132.00 132.41 3dwb h PRO 760 Ca -0.44 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3dwb h PRO 760 Cb 1.25 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3dwb h PRO 760 CO 0.48 0.19 0.00 -1.33 -0.21 0.00 0.00 178.00 177.13 3dwb n MET 761 N -5.14 1.44 -2.93 1.05 2.81 -1.05 -4.10 117.12 109.21 3dwb n MET 761 Ca 0.22 -0.66 -0.16 0.00 -1.81 0.00 0.00 57.70 55.28 3dwb n MET 761 Cb 0.67 -1.29 -0.01 0.00 -0.71 0.00 0.00 33.22 31.89 3dwb n MET 761 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 3dwb n ASN 762 N -0.07 1.65 -4.70 7.83 5.15 -0.24 -4.26 115.26 120.62 3dwb n ASN 762 Ca 0.13 -3.01 -0.44 0.00 -0.60 0.00 0.00 54.58 50.66 3dwb n ASN 762 Cb 0.20 -0.57 -0.02 0.00 -0.53 0.00 0.00 39.78 38.86 3dwb n ASN 762 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 3dwb n PRO 763 N 0.06 2.29 -0.03 1.20 -0.04 -1.25 -4.17 135.00 133.05 3dwb n PRO 763 Ca 0.21 0.82 -0.07 0.00 -0.04 0.00 0.00 63.50 64.41 3dwb n PRO 763 Cb 0.69 -2.53 0.11 0.00 -0.04 0.00 0.00 33.50 31.73 3dwb n PRO 763 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 3dwb h PRO 764 N 4.66 0.63 -5.73 0.54 0.11 -1.93 -3.32 132.00 126.95 3dwb h PRO 764 Ca -0.46 -0.29 -0.51 0.00 0.11 0.00 0.00 66.00 64.86 3dwb h PRO 764 Cb 1.25 -0.01 -0.06 0.00 0.11 0.00 0.00 31.00 32.29 3dwb h PRO 764 CO 0.79 0.88 1.56 -1.58 -0.21 0.00 0.00 178.00 179.44 3dwb s HIS 765 N -4.38 2.35 0.06 0.65 2.46 -1.26 -4.97 115.29 110.21 3dwb s HIS 765 Ca -0.08 -0.55 -0.22 0.00 0.47 0.00 0.00 55.06 54.68 3dwb s HIS 765 Cb 0.13 -4.41 -0.06 0.00 -0.13 0.00 0.00 32.58 28.11 3dwb s HIS 765 CO 0.83 -1.60 0.67 0.15 -2.47 0.00 0.00 174.74 172.32 3dwb s LYS 766 N 5.41 4.39 0.02 2.88 1.02 -1.25 -5.02 119.74 127.19 3dwb s LYS 766 Ca 0.60 0.91 -0.08 0.00 0.02 0.00 0.00 55.97 57.42 3dwb s LYS 766 Cb 0.01 -3.31 -0.05 0.00 -0.52 0.00 0.00 37.83 33.96 3dwb s LYS 766 CO 0.07 0.45 0.30 0.00 -0.92 0.00 0.00 175.35 175.25 3dwb s GLU 768 N -1.72 0.33 0.01 0.00 2.12 -1.26 -4.85 118.70 113.33 3dwb s GLU 768 Ca 0.28 1.01 -0.02 0.00 0.36 0.00 0.00 54.97 56.60 3dwb s GLU 768 Cb -0.14 0.29 -0.01 0.00 0.26 0.00 0.00 34.13 34.54 3dwb s GLU 768 CO 0.16 -0.24 -0.04 1.55 -0.54 0.00 0.00 175.26 176.15 3dwb n VAL 769 N 5.28 0.61 0.85 3.70 3.14 -1.26 -4.88 118.33 125.77 3dwb n VAL 769 Ca -0.10 0.23 0.10 0.00 -2.96 0.00 0.00 64.34 61.61 3dwb n VAL 769 Cb 0.50 -1.43 0.09 0.00 -1.06 0.00 0.00 33.84 31.94 3dwb n VAL 769 CO 0.00 0.00 0.00 0.79 -6.46 0.00 0.00 176.83 171.16