NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 113 G 3.9162 8.3549 109.7441 45.3888 0.0000 176.4774 114 L 4.0993 9.1665 121.1728 52.8957 43.4333 170.6579 115 V 4.2790 8.7714 120.5059 61.4891 32.9029 174.0308 116 F 4.6926 8.8630 126.1725 55.7626 40.6006 175.8652 117 N 4.6558 8.5414 124.2395 51.8455 37.9978 172.8969 118 V 3.8924 8.0971 123.4569 61.6586 31.7415 175.4624 119 V 4.2927 8.3689 127.6227 61.1331 33.0952 175.4607 120 T 4.5504 8.0842 117.5204 59.9572 72.3298 175.2798 121 Q 3.9462 8.3561 121.2809 59.3671 29.1078 177.4522 122 D 4.3266 8.0912 118.5585 57.5579 41.3841 177.8615 123 M 4.0328 7.8845 118.6554 58.6724 31.8321 178.7274 124 I 3.8633 7.1918 118.1401 63.2585 38.0192 177.3697 125 N 4.4893 8.1155 117.6668 56.4005 38.3287 177.5488 126 K 4.1769 8.2197 119.7426 58.9939 31.7887 179.3428 127 S 4.2915 8.0211 114.2049 60.5559 62.7299 175.6711 128 T 4.2316 7.4345 110.7856 61.3714 69.8866 174.5792 129 K 4.5945 7.3459 122.4758 53.6679 34.1866 174.4281 130 P 4.6132 0.0000 0.0000 63.9971 32.4367 175.0799 131 Y 3.6786 8.9558 113.7418 60.2923 34.8567 170.3324 132 R 3.7189 8.9622 110.0794 57.4746 28.2295 177.5917 133 G 3.9185 8.1087 101.2816 46.9161 0.0000 174.9805 134 H 4.5663 8.1720 117.3494 55.7259 29.5873 175.3988 135 R 4.3462 7.4201 116.7976 53.7548 32.6312 175.5481 136 F 4.8954 7.9067 118.0379 57.1057 40.0085 176.4615 137 T 4.1456 8.5702 121.0720 64.4097 70.0167 176.3786 138 K 4.0994 8.8468 130.9433 60.7516 31.5626 180.2123 139 E 4.2453 8.1299 118.3146 61.0211 29.8065 181.6202 140 N 4.4720 7.9511 116.6046 56.2729 38.8264 177.8450 141 V 3.6324 8.0006 120.4285 64.4274 31.4456 178.5032 142 R 3.9351 7.7730 119.9388 59.3645 29.8383 178.5023 143 I 3.7143 7.4157 119.6265 64.3585 37.1268 178.4953 144 L 3.6800 7.7917 119.9161 57.6184 41.1494 179.4312 145 E 4.4311 8.3213 118.6528 59.3593 29.4057 179.2838 146 S 4.1402 8.1573 113.3470 61.0737 62.2483 176.0324 147 W 4.0212 7.8835 129.6234 60.4387 30.9265 177.2309 148 F 4.2332 8.7703 120.3553 61.3919 38.7660 176.9105 149 A 4.0629 8.5940 122.8705 55.7802 18.0510 180.2596 150 K 4.0954 7.7632 120.0494 58.4471 31.9647 179.2238 151 N 4.7930 6.9918 113.6021 53.2722 39.3837 175.9514 152 I 3.0404 7.0018 121.3261 64.0916 38.0266 177.1963 153 E 4.0674 7.8548 118.4471 58.9400 29.5100 176.7143 154 N 4.9804 7.6377 116.7443 51.6477 39.9599 172.3563 155 P 4.4547 0.0000 0.0000 61.3251 30.3667 176.5768 156 Y 4.9033 7.4602 115.5632 56.5693 42.2211 175.9948 157 L 4.3583 8.8236 124.2296 54.6982 42.6381 176.5279 158 D 5.1485 8.4574 121.3580 51.3072 43.3520 177.2084 159 T 3.9264 8.5797 118.8141 67.6006 68.2906 177.5153 160 K 4.1578 8.2576 125.0066 59.7177 31.8344 181.1012 161 G 3.9068 8.4346 106.6686 47.4559 0.0000 175.5488 162 L 3.7501 7.8513 122.8603 58.0057 42.0901 179.0505 163 E 3.9118 7.8412 118.0729 59.5359 29.5361 179.1610 164 N 4.3838 8.0128 116.2100 55.8953 38.4753 177.6210 165 L 3.9046 7.7556 120.6756 57.9315 41.8008 179.0881 166 M 3.9684 8.1221 118.8743 58.2004 31.5890 178.8371 167 K 3.8827 7.8809 118.9026 59.6136 32.5306 178.3165 168 N 4.5189 7.8685 114.8803 55.1154 38.7082 176.6176 169 T 4.7791 7.9504 111.0600 59.8882 70.0474 175.1031 170 S 3.8511 7.6553 115.5927 59.2330 61.0105 171.6552 171 L 4.2693 7.3040 119.4839 53.4288 42.6842 177.7246 172 S 4.2725 8.6955 117.3109 58.0694 64.8261 175.5297 173 R 3.7840 8.4590 122.2338 59.9675 29.7508 178.5634 174 I 3.7430 7.7212 117.5358 63.9068 37.8783 177.7433 175 Q 4.0805 7.9663 118.6634 59.1085 28.6194 178.6851 176 I 3.6458 7.5554 120.5166 64.3116 37.0978 178.6720 177 K 3.9924 8.0453 119.2959 59.6666 31.9083 179.2300 178 N 4.4443 8.5037 116.8356 55.7421 38.3345 177.3344 179 W 4.0895 8.6771 130.3149 60.5736 30.8251 178.1933 180 V 3.7740 8.2114 118.2421 66.0671 30.8550 177.8722 181 S 4.0855 8.1054 112.8603 61.6221 62.2685 176.0114 182 N 4.2739 8.1666 119.0539 56.0041 38.0590 177.4772 183 R 3.2523 7.6348 120.6705 58.8883 29.9042 178.8024 184 R 4.0412 8.0015 118.2293 59.1538 29.8444 178.8873 185 R 3.8659 7.4616 117.3470 59.3047 30.1221 178.1798 186 K 3.9389 7.6390 118.5481 59.2234 32.1773 177.9140 187 E 4.1441 7.5834 118.7986 57.2019 29.9629 176.7571 188 K 3.9061 7.2185 119.1906 57.4236 32.8973 176.4485 189 T 3.8237 8.4828 118.3910 64.2394 68.6202 172.2305 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 113 G 8.35 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 L 9.17 4.10 0.00 1.92 1.51 0.78 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 115 V 8.77 4.28 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.91 0.00 0.00 116 F 8.86 4.69 0.00 2.96 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 N 8.54 4.66 0.00 2.66 2.76 0.00 0.00 7.05 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 V 8.10 3.89 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.97 0.00 0.00 119 V 8.37 4.29 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.95 0.00 0.00 120 T 8.08 4.55 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 121 Q 8.36 3.95 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.93 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 122 D 8.09 4.33 0.00 2.83 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 M 7.88 4.03 0.00 2.14 2.25 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.56 0.00 124 I 7.19 3.86 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.36 1.02 0.00 0.00 125 N 8.12 4.49 0.00 3.01 2.86 0.00 0.00 6.92 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 K 8.22 4.18 0.00 1.97 1.86 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.45 1.63 7.81 127 S 8.02 4.29 0.00 4.10 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 T 7.43 4.23 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 129 K 7.35 4.59 0.00 1.83 2.01 0.00 1.78 0.00 0.00 1.77 0.00 0.00 3.17 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.40 7.81 130 P 0.00 4.61 0.00 2.41 2.29 0.00 3.92 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.10 0.00 131 Y 8.96 3.68 0.00 3.20 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 R 8.96 3.72 0.00 2.02 2.03 0.00 3.30 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 133 G 8.11 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 H 8.17 4.57 0.00 3.38 3.36 0.00 5.81 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 R 7.42 4.35 0.00 1.86 1.68 0.00 2.21 0.00 0.00 2.79 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.31 0.00 136 F 7.91 4.90 0.00 3.07 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 T 8.57 4.15 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 138 K 8.85 4.10 0.00 1.76 1.83 0.00 1.79 0.00 0.00 1.85 0.00 0.00 2.92 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.08 7.81 139 E 8.13 4.25 0.00 1.97 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 1.97 0.00 140 N 7.95 4.47 0.00 2.85 2.67 0.00 0.00 6.91 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 V 8.00 3.63 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 1.17 0.00 0.00 142 R 7.77 3.94 0.00 2.02 2.12 0.00 3.11 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 143 I 7.42 3.71 1.89 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.38 0.83 0.00 0.00 144 L 7.79 3.68 0.00 0.69 0.13 -0.01 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 145 E 8.32 4.43 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.63 0.00 146 S 8.16 4.14 0.00 4.06 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 W 7.88 4.02 0.00 3.27 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 F 8.77 4.23 0.00 3.91 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 A 8.59 4.06 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 K 7.76 4.10 0.00 1.90 1.74 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.35 7.81 151 N 6.99 4.79 0.00 1.44 2.08 0.00 0.00 6.44 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 I 7.00 3.04 1.75 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.49 0.79 0.00 0.00 153 E 7.85 4.07 0.00 1.90 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.18 0.00 154 N 7.64 4.98 0.00 2.65 2.66 0.00 0.00 7.26 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 P 0.00 4.45 0.00 2.09 1.44 0.00 3.78 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.79 0.00 156 Y 7.46 4.90 0.00 3.08 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 L 8.82 4.36 0.00 1.66 1.55 0.79 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 158 D 8.46 5.15 0.00 2.90 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 T 8.58 3.93 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 160 K 8.26 4.16 0.00 1.76 1.82 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 1.08 7.81 161 G 8.43 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 L 7.85 3.75 0.00 1.80 1.63 0.80 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 163 E 7.84 3.91 0.00 2.04 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.45 0.00 164 N 8.01 4.38 0.00 2.79 2.88 0.00 0.00 7.06 8.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 L 7.76 3.90 0.00 1.66 1.45 0.20 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 166 M 8.12 3.97 0.00 1.97 2.19 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.60 0.00 167 K 7.88 3.88 0.00 1.83 2.03 0.00 1.78 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.45 7.81 168 N 7.87 4.52 0.00 2.68 2.80 0.00 0.00 6.98 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 T 7.95 4.78 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 170 S 7.66 3.85 0.00 3.98 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 L 7.30 4.27 0.00 1.37 1.38 -0.10 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 172 S 8.70 4.27 0.00 4.02 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 R 8.46 3.78 0.00 1.86 1.96 0.00 3.17 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 174 I 7.72 3.74 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.16 0.92 0.00 0.00 175 Q 7.97 4.08 0.00 2.30 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.57 0.00 0.00 0.00 0.00 0.00 2.54 2.45 0.00 176 I 7.56 3.65 1.75 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.64 0.66 0.00 0.00 177 K 8.05 3.99 0.00 2.01 1.89 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.60 7.81 178 N 8.50 4.44 0.00 3.07 2.93 0.00 0.00 6.68 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 W 8.68 4.09 0.00 3.62 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 V 8.21 3.77 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 1.11 0.00 0.00 181 S 8.11 4.09 0.00 4.08 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 N 8.17 4.27 0.00 2.65 2.60 0.00 0.00 6.71 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 R 7.63 3.25 0.00 0.67 1.30 0.00 2.37 0.00 0.00 2.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 184 R 8.00 4.04 0.00 2.06 1.98 0.00 2.96 0.00 0.00 2.58 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.87 0.00 185 R 7.46 3.87 0.00 1.72 2.04 0.00 3.20 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 186 K 7.64 3.94 0.00 1.69 1.74 0.00 1.66 0.00 0.00 1.38 0.00 0.00 2.89 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.32 1.33 7.81 187 E 7.58 4.14 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.43 0.00 188 K 7.22 3.91 0.00 1.91 1.84 0.00 2.02 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.47 1.45 7.81 189 T 8.48 3.82 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00