NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 29 V 4.0970 8.0431 114.0451 62.0535 33.9553 176.8401 30 G 3.4460 8.6413 109.8582 46.6749 0.0000 175.1516 31 F 4.5608 8.9653 119.7147 55.9166 42.9860 175.0989 32 G 3.5459 8.4492 111.4905 45.6160 0.0000 174.0344 *38 W 4.6137 8.5552 125.2291 56.9568 32.3487 174.7118 39 R 4.1355 7.6817 123.7648 55.4420 29.3000 175.4172 40 G 3.5899 5.3800 105.6139 45.8780 0.0000 173.4817 41 E 4.3094 8.6192 120.4841 55.9089 30.9337 175.3822 42 V 4.9875 8.4224 125.9702 61.1311 34.0376 174.4767 43 V 4.4667 8.9122 128.1812 61.2033 33.8591 173.8476 44 H 4.5598 9.0543 128.6860 56.3582 29.6746 174.4629 45 L 4.2707 8.1026 126.3162 56.4281 43.0214 176.6300 46 S 4.3047 6.5139 110.2188 57.9863 65.1832 176.9959 47 W 4.7840 9.0377 121.9424 57.0409 30.1570 177.1351 48 S 4.7274 7.9950 113.6957 56.0839 62.9854 171.4241 49 P 5.1424 0.0000 0.0000 60.7175 33.2587 176.0925 50 R 4.2385 8.6903 120.6366 56.6345 30.9571 174.9549 51 A 5.1007 8.3334 127.9173 50.3442 22.9515 174.5599 52 F 5.2902 8.7486 118.6532 55.6105 43.1389 173.9711 53 L 4.7071 9.1714 125.4107 53.9620 43.8554 175.0555 54 L 5.2873 9.1559 127.0987 53.0999 43.2933 175.9229 55 K 4.6354 9.4754 125.2952 56.5193 32.9206 177.0182 56 N 4.2898 9.0990 122.6750 54.6697 38.0466 175.3445 57 F 3.3423 8.6287 119.9270 60.0085 39.9223 174.7511 58 L 4.6670 7.6799 119.1977 52.7889 43.4835 177.1326 59 S 4.4530 8.9299 117.7952 57.9887 65.0876 175.3592 60 D 4.3593 8.5638 122.3938 57.5718 40.5132 178.6592 61 E 3.9673 8.2523 118.5301 59.7049 29.5163 179.1885 62 E 3.9724 8.0642 118.0543 59.6267 29.6661 179.1472 63 C 4.1263 8.1803 116.5929 63.1554 28.2439 176.0985 64 D 4.2523 8.3929 120.5869 57.2406 40.3030 178.0276 65 Y 3.8733 8.2567 120.3049 60.9000 38.8272 178.2947 66 I 3.7474 7.9407 120.4875 64.4307 37.2823 178.5535 67 V 3.0792 7.4512 118.4906 66.0116 31.0444 177.9648 68 E 3.8805 7.6092 116.6307 58.6944 29.3472 178.8148 69 K 3.8418 7.6889 119.2908 59.0868 32.4471 178.3245 70 A 4.5001 8.1026 121.1375 54.5287 18.3072 179.3287 71 R 4.2090 7.7655 117.0396 59.3355 30.2362 176.2113 72 P 4.4014 0.0000 0.0000 65.2757 31.1607 176.8235 73 K 3.7941 6.9765 117.2003 59.2790 32.4575 176.6004 *95 S 4.1159 7.4719 115.1664 58.6148 64.7819 172.7322 96 T 4.6123 8.2142 117.1360 61.8188 71.5792 173.5041 97 G 4.3608 8.4364 110.8408 45.0761 0.0000 171.0238 98 T 4.9409 8.6535 114.1097 60.3627 71.5426 172.2817 99 W 5.0088 8.8246 123.7522 54.8749 31.7771 175.1132 100 F 5.5273 8.8210 121.4133 55.7261 41.1452 175.4810 101 A 4.3434 9.0792 123.7993 51.5175 19.1652 177.8825 102 K 4.2152 8.1829 119.0991 57.2236 32.5733 177.4373 103 G 4.2635 9.4392 112.0824 46.0457 0.0000 174.9586 104 E 4.0580 8.6175 122.1876 58.2193 29.9797 176.3369 105 D 4.8932 7.5778 116.6344 50.5977 44.0280 175.9921 106 S 4.0401 8.4742 114.0856 61.4586 62.5343 176.7975 107 V 3.3754 7.5458 121.2386 65.7831 31.2946 177.9127 108 I 3.7509 8.0393 119.5340 64.5318 37.0799 178.3946 109 S 4.1068 8.2129 116.0901 61.5683 62.6667 176.8713 110 K 3.8977 7.7387 122.1103 59.5767 32.0073 178.7642 111 I 3.5893 7.3537 120.0013 64.5643 37.0486 178.2645 112 E 4.0281 8.3183 119.3115 59.3875 29.3131 179.5450 113 K 4.0832 8.3100 118.7478 59.4549 32.1077 179.3429 114 R 3.9572 8.0940 119.0118 59.3293 29.9621 178.7335 115 V 3.7542 8.1537 117.8905 66.0534 31.3452 177.7628 116 A 4.3898 7.8231 120.5851 54.8252 18.2442 179.4084 117 Q 4.3062 8.2190 115.7981 59.0880 28.9571 178.8921 118 V 3.9687 7.9568 119.4435 64.7028 31.6981 177.5173 119 T 3.8086 8.2398 109.8456 62.3093 68.3979 174.8545 *121 I 4.0800 7.7173 116.7692 59.6229 39.4568 174.0194 122 P 3.4465 0.0000 0.0000 61.7238 32.2059 177.2560 123 L 3.6233 8.0950 119.7044 57.5525 41.7468 179.7852 124 E 4.0275 8.0002 116.0380 58.7220 29.7603 177.8222 125 N 4.7665 8.2818 116.1333 54.1834 39.1105 173.7920 126 H 5.3099 7.7865 116.1814 54.1940 30.5547 175.0358 127 E 4.3669 9.1351 122.9399 55.5911 30.9076 176.4455 128 G 4.1326 8.6522 108.1197 46.5491 0.0000 172.0397 129 L 4.7830 8.3987 120.7443 53.7285 44.0222 175.3412 130 Q 3.8207 8.2623 127.4956 53.9995 30.9464 174.0381 131 V 4.6501 8.1838 126.5920 60.9716 34.3270 174.1553 132 L 4.9338 8.9147 127.0084 53.0021 45.6543 174.8117 133 H 4.4391 8.5859 123.0115 54.2231 32.0393 172.1714 134 Y 4.2861 8.4550 124.0644 57.7389 38.2136 175.4182 135 H 4.5366 8.7485 118.9796 56.1904 30.9121 175.2247 *159 G 3.7520 7.8013 106.9822 45.2653 0.0000 171.9895 160 Q 4.2909 8.3334 122.5242 54.4664 29.8786 175.3880 161 R 4.3278 8.4108 122.6746 56.5719 30.1574 176.5815 162 V 4.3727 9.4791 123.5718 62.0116 34.6047 175.8657 163 V 4.4124 7.5770 120.0208 61.1997 34.6548 175.1601 164 T 4.2893 7.7215 124.7898 61.5365 71.4377 172.6948 *166 L 3.7107 8.1333 123.0850 55.4890 44.1006 175.3283 *168 Y 4.7547 8.0369 116.6604 58.0895 38.7667 176.1374 169 L 4.5800 9.1092 124.4898 55.8401 42.4924 176.9073 170 T 4.8328 7.7696 107.6129 60.2016 72.1549 173.4303 171 T 4.4445 8.5425 119.7935 63.1998 69.5623 174.1515 172 V 4.2217 8.0068 126.7676 61.1626 32.4747 175.0061 173 E 4.1173 9.0624 129.5569 58.8726 30.3255 176.5486 174 E 4.3896 8.1520 119.9955 55.6267 33.4913 176.3669 175 G 3.6824 8.9995 115.1074 46.0960 0.0000 174.5405 176 G 3.9135 8.5782 110.6844 45.0249 0.0000 173.8582 177 E 4.3282 7.4536 118.9868 56.5001 30.9687 176.6760 178 T 4.5169 8.6544 120.3710 63.7111 69.7635 173.8391 179 V 4.7353 9.0203 125.6795 59.9621 34.9721 174.7038 180 L 5.2304 8.8868 123.4406 50.9223 41.5906 175.3477 181 P 4.7442 0.0000 0.0000 64.3795 31.7857 177.8125 182 N 4.6676 7.9311 114.4908 52.8080 38.7913 174.9509 183 A 4.3012 7.5058 121.8994 51.6014 19.1528 177.8937 184 E 4.1302 8.6151 119.5268 58.9427 29.5077 177.8647 185 Q 4.5199 7.6995 116.4792 53.2409 31.9987 175.0074 186 K 4.4996 8.2378 121.0430 55.0455 34.1906 176.6255 187 V 3.7071 7.8014 115.4520 61.6382 32.3121 175.3774 188 T 4.3919 7.9615 115.6239 62.1589 70.6253 174.5698 189 G 3.9301 8.7448 110.6886 44.6240 0.0000 172.2051 190 D 4.4456 8.4453 119.8985 55.8000 41.3291 176.6467 191 G 3.7345 8.9320 111.9109 44.8235 0.0000 173.4550 192 W 4.8149 6.9378 119.1247 55.6444 30.4131 177.1024 193 S 4.5550 8.8801 117.9164 57.8739 64.7039 175.4791 194 E 4.0259 8.6037 121.8469 59.4100 29.4736 179.8008 195 C 4.3649 8.2278 118.0385 59.7533 43.2084 175.2940 196 A 3.9249 7.9929 122.1979 55.0987 17.7831 179.1940 197 K 4.1915 7.7800 114.3223 58.0006 32.4311 178.7288 198 R 4.2824 8.1565 118.8981 57.9130 30.2946 175.4724 199 G 4.3807 7.8526 105.3040 45.1111 0.0000 172.1813 200 L 4.2823 8.3071 121.2749 55.2425 43.0517 176.2381 201 A 5.6342 7.7448 125.1854 49.8074 22.9079 175.3192 202 V 4.6491 8.1911 117.9700 61.0972 35.2162 174.4985 203 K 4.4775 8.8027 127.1306 55.1598 33.2137 174.8864 204 P 3.1470 0.0000 0.0000 62.2394 32.5311 175.3410 205 I 4.7698 7.7306 124.6761 58.7893 41.0792 174.8879 206 K 4.0758 8.9604 128.8727 58.4879 32.4830 176.7208 207 G 4.1047 9.4190 115.3170 45.4058 0.0000 173.0046 208 D 5.2848 8.0566 118.7112 54.3006 42.0126 175.8264 209 A 4.7157 9.0357 121.8190 50.4007 22.6620 175.6477 210 L 4.8729 8.6678 124.5417 53.3054 44.9097 175.1449 *212 F 5.0014 8.2937 113.0476 57.1549 39.5427 173.2742 213 Y 5.0598 9.0292 118.0401 56.8981 39.0481 176.0131 214 S 5.1396 9.2493 117.6299 57.6978 64.7151 173.7728 215 L 5.1974 7.8581 119.8502 52.7349 44.8440 176.3137 216 K 4.3979 8.7987 121.7819 55.2266 32.9025 176.4369 217 P 4.2418 0.0000 0.0000 66.0239 31.1292 177.5847 218 D 4.4572 8.0087 114.3254 54.0004 39.5691 176.9989 219 G 3.9906 8.3470 109.3074 45.1649 0.0000 173.9663 220 S 4.4564 8.1936 114.9806 57.5106 64.6083 173.3533 221 N 4.5457 8.7924 120.2952 54.4832 39.3011 173.6815 222 D 4.8925 9.0478 126.3916 52.0324 41.7474 175.1851 223 P 4.3027 0.0000 0.0000 65.2022 31.5894 178.0959 224 A 4.2831 8.1857 121.2495 53.8666 18.4796 177.8894 225 S 4.5034 8.2178 110.4083 57.7884 63.8201 174.0194 226 L 4.3316 7.7192 125.1822 56.0834 42.2407 175.2621 227 H 5.3709 8.6808 120.0935 54.1728 32.0809 172.1410 228 G 4.2554 9.1597 106.4275 45.1914 0.0000 170.6313 229 S 5.1722 8.4455 114.1476 56.5211 63.8441 174.4237 230 C 4.6207 9.0486 125.0366 55.8157 41.0177 171.4713 231 P 4.4734 0.0000 0.0000 63.5878 32.3301 175.3236 232 T 4.5176 8.3913 119.8109 63.2594 68.7057 174.3724 233 L 4.4773 8.9714 127.0830 56.0205 43.5424 177.6077 234 K 4.3961 8.2204 118.0034 55.4794 36.1738 175.4677 235 G 3.9032 8.4225 110.6601 43.8335 0.0000 171.7867 236 D 4.6112 8.4123 118.3670 52.3049 43.2217 174.6490 237 K 4.6061 8.7146 129.0396 55.2052 33.6711 175.0255 238 W 5.5189 9.2322 127.8077 55.0753 32.4812 174.9665 239 S 5.1709 9.3654 116.7853 56.8416 66.7315 172.4485 240 A 5.0200 8.3628 121.1685 50.4421 21.7888 175.4643 241 T 4.0990 8.8446 118.8623 61.2053 71.7528 172.9060 242 K 4.5944 8.1166 127.2274 54.3999 34.0836 174.9131 243 W 5.0226 8.8061 127.0913 55.2293 31.6670 175.1063 244 I 5.0061 8.6491 124.1936 59.9700 39.3732 174.5811 245 H 5.3657 9.1677 123.5984 54.2958 30.9046 176.5303 246 V 4.0145 8.6244 113.6853 63.8298 31.8308 176.4470 247 A 4.7924 7.4646 118.1569 49.0706 22.2881 173.7153 248 P 4.5335 0.0000 0.0000 63.1474 31.9408 177.0381 249 I 3.9257 8.4998 122.0996 61.7109 36.9561 175.9482 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 29 V 8.04 4.10 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 0.84 0.00 0.00 0.91 0.00 0.00 30 G 8.64 3.45 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 31 F 8.97 4.56 0.00 3.01 3.10 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 0.00 0.00 0.00 0.00 32 G 8.45 3.55 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 *38 W 8.56 4.61 0.00 3.13 3.20 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 39 R 7.68 4.14 0.00 1.67 1.74 0.00 2.97 0.00 0.00 3.13 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.35 0.00 40 G 5.38 3.59 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 41 E 8.62 4.31 0.00 2.08 1.90 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 2.44 2.33 0.00 42 V 8.42 4.99 2.12 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 0.90 0.00 0.00 1.05 0.00 0.00 43 V 8.91 4.47 2.17 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 1.00 0.00 0.00 1.01 0.00 0.00 44 H 9.05 4.56 0.00 3.27 3.16 0.00 5.79 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 L 8.10 4.27 0.00 1.44 1.54 0.91 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 46 S 6.51 4.30 0.00 3.66 3.54 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 47 W 9.04 4.78 0.00 3.50 3.15 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 48 S 8.00 4.73 0.00 3.95 3.71 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 0.00 0.00 0.00 0.00 49 P 0.00 5.14 0.00 2.25 2.11 0.00 3.33 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.74 0.00 50 R 8.69 4.24 0.00 2.05 2.00 0.00 2.56 0.00 0.00 3.39 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.45 0.00 51 A 8.33 5.10 1.12 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 0.00 0.00 52 F 8.75 5.29 0.00 2.93 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 53 L 9.17 4.71 0.00 1.83 1.63 1.14 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 54 L 9.16 5.29 0.00 1.51 1.64 0.34 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 55 K 9.48 4.64 0.00 1.78 1.88 0.00 1.98 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.61 1.63 7.81 56 N 9.10 4.29 0.00 2.97 3.10 0.00 0.00 7.16 7.18 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 57 F 8.63 3.34 0.00 2.70 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 58 L 7.68 4.67 0.00 1.70 1.54 0.95 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.93 4.45 0.00 4.20 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 60 D 8.56 4.36 0.00 2.72 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 E 8.25 3.97 0.00 2.03 2.01 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 2.39 2.48 0.00 62 E 8.06 3.97 0.00 2.17 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 2.25 2.30 0.00 63 C 8.18 4.13 0.00 3.13 3.19 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 0.00 0.00 0.00 0.00 64 D 8.39 4.25 0.00 2.67 2.66 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 65 Y 8.26 3.87 0.00 3.14 3.14 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 66 I 7.94 3.75 2.08 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.91 1.14 0.00 0.00 67 V 7.45 3.08 1.75 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 -0.48 0.00 0.00 0.44 0.00 0.00 68 E 7.61 3.88 0.00 1.75 1.82 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 2.33 2.32 0.00 69 K 7.69 3.84 0.00 1.03 1.73 0.00 1.44 0.00 0.00 1.46 0.00 0.00 2.71 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.56 1.19 7.81 70 A 8.10 4.50 1.59 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 71 R 7.77 4.21 0.00 2.02 2.01 0.00 3.29 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.92 0.00 72 P 0.00 4.40 0.00 2.24 2.18 0.00 3.86 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 73 K 6.98 3.79 0.00 2.17 1.93 0.00 2.16 0.00 0.00 2.00 0.00 0.00 3.15 0.00 0.00 3.38 0.00 0.00 0.00 0.00 1.59 1.69 7.81 *95 S 7.47 4.12 0.00 3.18 3.47 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 96 T 8.21 4.61 4.08 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 1.18 0.00 0.00 97 G 8.44 4.36 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 98 T 8.65 4.94 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 1.09 0.00 0.00 99 W 8.82 5.01 0.00 3.17 3.14 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 0.00 100 F 8.82 5.53 0.00 3.03 2.93 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 0.00 101 A 9.08 4.34 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 102 K 8.18 4.22 0.00 1.81 1.80 0.00 1.94 0.00 0.00 2.47 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.68 1.48 7.81 103 G 9.44 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 0.00 0.00 0.00 0.00 104 E 8.62 4.06 0.00 2.20 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 2.27 2.32 0.00 105 D 7.58 4.89 0.00 2.90 2.69 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 0.00 106 S 8.47 4.04 0.00 4.01 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 0.00 107 V 7.55 3.38 1.49 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 0.66 0.00 0.00 0.22 0.00 0.00 108 I 8.04 3.75 1.88 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.58 1.07 0.00 0.00 109 S 8.21 4.11 0.00 3.98 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 0.00 110 K 7.74 3.90 0.00 1.72 1.91 0.00 1.60 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.43 7.81 111 I 7.35 3.59 2.04 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 1.42 0.54 0.94 0.00 0.00 112 E 8.32 4.03 0.00 2.24 2.00 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 2.39 2.51 0.00 113 K 8.31 4.08 0.00 1.94 2.05 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.46 1.68 7.81 114 R 8.09 3.96 0.00 1.88 1.95 0.00 2.21 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.55 0.00 115 V 8.15 3.75 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 0.92 0.00 0.00 1.15 0.00 0.00 116 A 7.82 4.39 1.33 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 0.00 0.00 0.00 117 Q 8.22 4.31 0.00 2.33 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.91 0.00 0.00 0.00 0.00 0.00 2.60 2.78 0.00 118 V 7.96 3.97 2.41 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 0.88 0.00 0.00 1.14 0.00 0.00 119 T 8.24 3.81 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 1.16 0.00 0.00 *121 I 7.72 4.08 1.96 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.14 0.98 0.00 0.00 122 P 0.00 3.45 0.00 2.25 1.58 0.00 3.76 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 123 L 8.09 3.62 0.00 1.58 1.62 0.83 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 124 E 8.00 4.03 0.00 2.08 2.17 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 0.00 2.32 2.26 0.00 125 N 8.28 4.77 0.00 3.10 3.10 0.00 0.00 6.73 8.06 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 H 7.79 5.31 0.00 3.16 3.25 0.00 5.67 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 E 9.14 4.37 0.00 2.19 2.20 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 2.38 2.39 0.00 128 G 8.65 4.13 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 0.00 129 L 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7.80 3.71 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 0.00 0.00 -0.31 0.00 0.00 -0.12 0.00 0.00 188 T 7.96 4.39 4.20 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 0.00 189 G 8.74 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 0.00 0.00 0.00 190 D 8.45 4.45 0.00 2.65 2.57 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 0.00 191 G 8.93 3.73 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 0.00 192 W 6.94 4.81 0.00 3.41 3.08 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 0.00 193 S 8.88 4.56 0.00 4.10 4.03 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 0.00 194 E 8.60 4.03 0.00 1.97 2.07 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 2.34 2.32 0.00 195 C 8.23 4.36 0.00 2.99 3.09 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 0.00 196 A 7.99 3.92 1.59 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 0.00 197 K 7.78 4.19 0.00 1.90 1.83 0.00 1.74 0.00 0.00 1.73 0.00 0.00 3.32 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.58 1.75 7.81 198 R 8.16 4.28 0.00 2.01 1.92 0.00 3.15 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 199 G 7.85 4.38 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 0.00 200 L 8.31 4.28 0.00 1.78 1.38 0.74 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 201 A 7.74 5.63 0.94 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 0.00 0.00 0.00 0.00 0.00 202 V 8.19 4.65 2.22 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 1.10 0.00 0.00 0.98 0.00 0.00 203 K 8.80 4.48 0.00 1.52 1.53 0.00 1.42 0.00 0.00 1.31 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.20 0.94 7.81 204 P 0.00 3.15 0.00 1.96 1.87 0.00 3.37 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.95 0.00 205 I 7.73 4.77 2.03 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 1.17 0.63 0.93 0.00 0.00 206 K 8.96 4.08 0.00 1.80 1.79 0.00 1.83 0.00 0.00 1.88 0.00 0.00 2.87 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.50 1.67 7.81 207 G 9.42 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 208 D 8.06 5.28 0.00 2.95 2.82 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 0.00 209 A 9.04 4.72 0.83 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 0.00 210 L 8.67 4.87 0.00 1.76 1.63 1.05 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 *212 F 8.29 5.00 0.00 3.36 3.16 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 0.00 0.00 0.00 213 Y 9.03 5.06 0.00 2.97 3.20 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 0.00 214 S 9.25 5.14 0.00 4.00 4.23 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 0.00 215 L 7.86 5.20 0.00 1.72 1.65 0.97 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 216 K 8.80 4.40 0.00 2.01 1.77 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.51 1.59 7.81 217 P 0.00 4.24 0.00 2.04 2.14 0.00 3.69 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 218 D 8.01 4.46 0.00 2.80 2.79 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 0.00 219 G 8.35 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 0.00 0.00 0.00 220 S 8.19 4.46 0.00 3.95 4.02 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 0.00 221 N 8.79 4.55 0.00 2.78 2.80 0.00 0.00 6.88 8.47 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 0.00 222 D 9.05 4.89 0.00 2.85 2.66 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 0.00 223 P 0.00 4.30 0.00 2.27 2.32 0.00 3.78 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.98 0.00 224 A 8.19 4.28 1.38 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 0.00 225 S 8.22 4.50 0.00 4.46 4.44 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 0.00 226 L 7.72 4.33 0.00 1.73 1.61 0.96 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 227 H 8.68 5.37 0.00 3.18 3.03 0.00 5.54 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 228 G 9.16 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 0.00 0.00 0.00 0.00 229 S 8.45 5.17 0.00 3.59 3.47 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 0.00 230 C 9.05 4.62 0.00 3.08 2.97 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 0.00 231 P 0.00 4.47 0.00 2.06 1.98 0.00 3.57 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 232 T 8.39 4.52 4.25 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 1.26 0.00 0.00 233 L 8.97 4.48 0.00 1.48 1.70 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 234 K 8.22 4.40 0.00 1.63 1.65 0.00 1.64 0.00 0.00 1.82 0.00 0.00 2.83 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.43 7.81 235 G 8.42 3.90 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 0.00 236 D 8.41 4.61 0.00 2.69 2.70 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 0.00 237 K 8.71 4.61 0.00 1.90 1.76 0.00 1.72 0.00 0.00 1.28 0.00 0.00 2.75 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.62 1.58 7.81 238 W 9.23 5.52 0.00 3.30 3.09 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 0.00 239 S 9.37 5.17 0.00 3.77 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 0.00 240 A 8.36 5.02 1.13 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 0.00 241 T 8.84 4.10 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 -0.53 0.00 0.00 242 K 8.12 4.59 0.00 1.61 1.48 0.00 1.75 0.00 0.00 1.82 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.29 1.41 7.81 243 W 8.81 5.02 0.00 3.66 2.97 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 0.00 244 I 8.65 5.01 1.75 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.87 0.76 0.00 0.00 245 H 9.17 5.37 0.00 3.27 3.22 0.00 5.64 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 246 V 8.62 4.01 2.13 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 0.69 0.00 0.00 1.02 0.00 0.00 247 A 7.46 4.79 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 248 P 0.00 4.53 0.00 2.05 2.01 0.00 3.70 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 249 I 8.50 3.93 1.82 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.51 0.85 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.