NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 180 E 4.4498 8.2876 121.7304 56.3155 31.6408 174.0677 181 T 5.2007 8.2773 114.4489 58.5442 71.1090 167.9611 182 V 4.4304 8.9394 120.6311 59.2646 35.0625 176.2556 183 Q 4.6737 8.5662 123.9980 55.8578 29.7243 175.6763 184 V 4.5005 8.9768 122.9214 61.2562 35.1307 173.9377 185 N 5.1789 8.8794 124.6459 52.7047 40.0830 175.2485 186 L 4.6586 8.5560 122.1260 51.8160 43.6131 172.3915 187 P 4.7999 0.0000 0.0000 63.0363 31.6546 175.7571 188 V 4.6904 9.7427 119.5246 59.5503 35.5637 174.5610 189 S 4.6310 8.2912 114.0915 56.7848 65.2583 175.3876 190 L 4.0519 8.9304 121.7016 58.5621 41.4283 179.8257 191 E 4.0501 8.3085 117.6222 59.4035 29.4539 178.9423 192 D 4.3590 8.0808 118.8742 57.5992 40.9969 178.9580 193 L 4.0938 8.2566 119.4671 57.6096 41.3223 179.4306 194 F 3.9427 8.4128 120.6962 60.8830 39.5270 176.8791 195 V 4.0784 7.9564 115.8289 60.8202 32.5323 175.6541 196 G 3.6729 7.9166 107.6238 46.4018 0.0000 173.9284 197 K 4.0217 7.5239 119.2054 55.1965 33.9364 176.9785 198 K 4.6039 7.9119 126.3257 54.5429 30.3376 177.0509 199 K 3.6808 7.7059 122.2983 57.5866 33.6427 176.0453 200 S 4.9555 7.9635 120.8629 56.9690 65.3330 172.6584 201 F 5.1625 9.3312 120.8962 55.3066 41.9300 173.2989 202 K 5.1780 8.7817 118.7119 54.9860 33.6608 176.1750 203 I 4.6193 8.8278 117.7894 58.9081 40.9004 175.0294 204 G 4.7207 8.6843 111.3168 46.7913 0.0000 173.5623 205 R 4.4583 7.9410 116.6463 56.7183 32.5197 173.5606 206 K 4.0077 9.8500 124.7171 57.3596 31.9113 180.3579 207 G 4.2587 9.3341 104.9068 43.5567 0.0000 170.9017 208 P 4.0982 0.0000 0.0000 63.8033 31.5635 176.6319 209 H 3.8312 9.3428 122.5020 56.9310 25.3942 174.1957 210 G 3.7950 8.1984 111.0454 45.6293 0.0000 171.2865 211 A 4.4451 8.0304 128.0205 51.0926 22.0356 175.7556 212 S 4.5644 8.5558 105.1129 57.3604 64.1359 173.5477 213 E 4.5745 8.7557 124.3493 55.0129 32.8497 175.2664 214 K 4.6114 8.3095 119.8177 56.3475 34.9393 175.4500 215 T 4.4970 9.2190 121.6612 60.2580 69.2946 173.3576 216 Q 4.6378 8.7676 130.5400 56.1286 29.4151 174.8528 217 I 4.7121 9.1379 127.4766 59.6043 40.8627 174.3340 218 D 5.1511 8.7354 124.2693 52.7899 42.8926 175.4128 219 I 4.4290 8.3327 125.1307 59.6074 39.1329 175.5298 220 Q 4.2836 8.6157 128.6694 54.3701 29.5380 174.7505 221 L 3.3575 7.8356 126.1958 53.9978 42.9955 176.9885 222 K 4.0400 6.5508 118.5334 53.3984 35.3534 173.5787 223 P 4.4552 0.0000 0.0000 66.0493 30.9997 175.4265 224 G 4.0945 9.1614 112.6547 45.4654 0.0000 173.4061 225 W 4.5582 8.2057 118.7102 56.8666 29.2450 175.8365 226 K 4.4067 8.5978 122.4335 54.7996 32.9674 176.4075 227 A 4.1213 8.4470 124.7732 53.4054 18.8309 177.6893 228 G 4.0121 9.0937 109.0984 45.3572 0.0000 174.6353 229 T 4.0776 7.1857 110.0993 61.5502 70.0213 173.6457 230 K 5.6616 7.9853 120.5600 54.4254 35.9710 175.1192 231 I 4.7753 8.4530 122.9460 59.6352 41.2054 174.2383 232 T 4.7287 8.2476 117.0995 60.7095 72.4077 173.5014 *246 R 4.2237 8.0209 118.3320 56.2730 30.4379 174.7013 247 K 4.6203 8.4751 124.2177 55.8414 35.1868 175.5773 248 T 4.6872 7.9784 116.5079 61.6134 72.1866 173.1734 249 L 4.8780 8.4390 125.1435 52.8726 44.7695 175.8576 250 Q 4.3118 9.1441 123.5046 54.3497 30.6276 174.5216 251 F 5.3824 8.1504 123.1511 56.3240 41.3284 175.6369 252 V 4.7601 8.7268 116.9836 59.2497 34.1738 175.1922 253 I 4.0947 8.4434 127.2474 62.1192 38.1145 175.1477 254 Q 4.7876 9.1427 127.4510 54.1202 32.2229 173.9826 255 E 4.6636 9.0032 126.0582 55.9102 29.5428 176.8664 256 K 4.1194 9.7785 125.3128 56.3259 33.2977 177.2917 257 S 4.2822 8.5020 116.8418 57.9867 62.1344 173.2968 258 H 4.4763 8.7108 128.6180 55.0209 30.3451 174.1049 259 P 4.3412 0.0000 0.0000 64.4925 31.6446 176.6102 260 N 4.5175 7.9130 114.9277 53.4855 41.0832 174.4455 261 F 5.4626 7.7658 114.6667 55.6477 41.5303 175.4756 262 K 4.5876 8.9763 123.3700 54.6583 34.4463 175.2599 263 R 4.6091 8.7204 127.9109 55.8367 31.4458 175.8660 264 D 4.6830 8.7151 123.0992 52.5623 42.4155 176.9364 265 G 3.9828 8.6955 113.3527 45.7421 0.0000 171.3788 266 D 4.7938 8.9168 123.9450 53.9949 43.4056 175.6649 267 D 5.3081 8.0871 119.8839 53.0609 43.3192 175.3768 268 L 5.0166 8.5422 120.3972 53.0398 45.2638 175.5325 269 I 5.0795 8.8540 124.4593 59.6764 40.2523 173.9038 270 Y 5.0138 9.2439 127.5169 56.2674 41.7371 174.4526 271 T 4.8187 7.9124 123.6714 61.8821 69.2471 173.6327 272 L 4.6049 9.0530 130.3615 53.7283 42.8297 174.1862 273 P 4.9821 0.0000 0.0000 62.7293 32.6403 175.7003 274 L 4.9970 8.6329 121.5153 52.5633 45.2755 176.6366 275 S 4.4939 9.2674 118.7866 58.0534 64.0737 174.0000 276 F 4.3789 9.2307 125.0531 61.9150 39.1806 177.2864 277 K 3.7931 8.2785 119.4143 59.5334 31.5481 178.5710 278 E 4.8938 8.2798 117.7069 57.9417 29.4935 178.1971 279 S 4.2510 7.8193 114.1867 59.9265 62.3317 174.8054 280 L 4.5935 7.9311 118.7413 54.4237 43.7861 177.1529 281 L 4.3119 8.2496 116.3333 54.2506 43.1931 175.3856 282 G 4.0737 6.7698 103.7702 43.6960 0.0000 171.9645 283 F 5.0111 8.0517 113.5831 55.7623 41.6434 174.4053 284 S 4.9182 8.1078 113.3271 57.6172 62.9176 174.1185 285 K 4.5069 8.2642 120.5230 56.9421 34.7485 177.0126 286 T 4.7627 8.2239 113.7700 61.6084 70.0387 173.3539 287 I 4.5366 8.9460 128.4399 59.2260 41.9663 173.7385 288 Q 4.9874 8.3207 125.2362 54.1743 30.0206 176.0952 289 T 4.2561 9.1249 115.2640 61.0097 69.5710 175.1580 290 I 3.9138 8.2464 122.3093 63.4276 37.9187 175.7706 291 D 4.5539 7.7083 120.1368 52.6387 39.6579 177.3646 292 G 4.0985 8.1179 111.3555 46.6317 0.0000 175.4856 293 R 4.1473 7.4622 118.3413 56.6257 31.2095 176.1468 294 T 4.7960 8.3452 112.6139 60.2052 70.9867 173.5127 295 L 4.6928 9.8302 126.7272 52.4625 44.7851 173.2892 296 P 4.8083 0.0000 0.0000 62.5420 31.9946 175.3441 297 L 4.8754 7.7329 124.2086 53.1008 43.6246 176.2742 298 S 4.0391 8.0163 113.7074 57.5250 65.4601 174.5065 299 R 4.6131 6.9416 124.9076 54.1406 34.7029 176.1528 300 V 4.3760 7.9701 115.3039 61.5115 32.6575 174.8679 301 Q 4.5259 7.6374 117.8074 53.3916 32.4311 172.9180 302 P 4.6926 0.0000 0.0000 63.5174 31.8484 175.5880 303 V 4.5422 8.1474 120.0249 59.6601 34.0597 175.1844 304 Q 4.1400 9.0458 125.5645 56.0000 29.5199 175.7585 305 P 4.1067 0.0000 0.0000 65.1501 31.7437 176.6764 306 S 4.7778 7.8151 108.6706 57.0902 64.4642 173.4174 307 Q 4.1838 8.7020 123.7390 57.6813 29.6539 175.9306 308 T 5.1778 8.5028 114.3004 59.9742 72.7853 173.0054 309 S 4.5792 8.6667 116.6162 57.1604 66.6799 173.4041 310 T 4.8459 8.4406 121.3560 62.0857 70.5001 173.8162 311 Y 4.5604 9.3757 125.2059 55.4191 39.6096 173.5086 312 P 4.3554 0.0000 0.0000 63.2381 32.8515 176.8102 313 G 4.6054 8.7419 109.3332 46.6549 0.0000 173.3692 314 Q 4.6336 7.8394 116.5703 55.2161 30.0243 175.6971 315 G 4.3607 7.7180 104.4384 45.3597 0.0000 173.5840 316 M 4.7618 8.5889 120.9987 54.3281 33.5256 174.6766 317 P 4.7287 0.0000 0.0000 63.1901 33.0317 175.6693 318 T 4.4440 8.8044 118.4798 62.1805 69.1383 173.7993 319 P 4.1854 0.0000 0.0000 65.5398 31.3741 177.3035 320 K 3.5493 7.7541 115.7790 58.3889 31.8637 176.1766 321 N 4.6935 8.0922 128.1070 51.2821 38.7605 172.7912 322 P 4.8621 0.0000 0.0000 64.5743 31.8159 178.7460 323 S 4.2569 8.0806 111.3138 59.5450 63.0634 173.5150 324 Q 4.7238 8.0891 121.1493 54.3744 31.5703 174.9594 325 R 4.8945 8.5536 121.4240 53.2780 33.4275 177.8033 326 G 4.8622 9.5228 116.5222 45.3679 0.0000 174.0103 327 N 5.3911 9.2063 121.6590 51.3933 41.0624 173.1441 328 L 4.8296 8.6232 123.1635 54.7835 43.8335 175.3769 329 I 5.0117 9.4037 127.1071 59.6289 40.5175 174.6397 330 V 4.8627 8.8984 120.9977 59.5210 33.9748 174.5459 331 K 4.5711 9.2369 127.7231 54.8059 34.1374 174.4246 332 Y 4.9370 7.8839 125.3222 57.1108 39.2826 175.3211 333 K 4.7312 8.8352 126.1066 54.1094 34.0173 174.9586 334 V 4.3380 8.3895 126.7414 61.7063 32.3916 175.1429 335 D 4.9822 9.1822 124.7737 53.1939 42.0628 175.5313 336 Y 4.8389 8.6612 121.6363 55.8667 39.5160 174.0307 337 P 4.5326 0.0000 0.0000 62.3135 33.1270 178.7088 338 I 4.1314 7.9314 123.0757 60.4375 36.7078 176.0979 339 S 3.9831 8.6702 120.8272 59.9398 62.4872 173.9670 340 L 4.7577 8.1037 127.1279 53.8260 42.6243 176.5217 341 N 4.6441 8.9349 119.5974 52.4528 39.4654 175.9217 342 D 4.2559 8.5095 118.8331 57.8006 40.8709 178.1551 343 A 3.9621 8.2711 120.4140 56.4152 18.2974 179.2084 344 Q 3.6410 9.7305 114.5637 59.2301 28.6232 180.0724 345 K 3.7997 8.0428 120.7645 60.0071 32.5666 179.0113 346 R 4.0596 7.9838 116.5384 59.5949 30.1470 178.4670 347 A 4.2875 8.3827 119.0710 54.4130 19.3400 178.7140 348 I 3.9879 7.3462 117.3881 60.8891 35.6802 175.5708 349 D 4.2092 7.9784 123.2861 54.5221 41.7059 175.8395 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 180 E 8.29 4.45 0.00 2.05 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 181 T 8.28 5.20 4.16 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 1.16 0.00 0.00 182 V 8.94 4.43 2.02 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 0.82 0.00 0.00 0.91 0.00 0.00 183 Q 8.57 4.67 0.00 1.88 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.69 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 184 V 8.98 4.50 2.26 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 1.11 0.00 0.00 0.89 0.00 0.00 185 N 8.88 5.18 0.00 2.67 2.75 0.00 0.00 6.82 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 L 8.56 4.66 0.00 1.70 1.73 0.71 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 187 P 0.00 4.80 0.00 2.00 2.07 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 2.07 2.16 0.00 188 V 9.74 4.69 2.14 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 1.02 0.00 0.00 1.04 0.00 0.00 189 S 8.29 4.63 0.00 4.11 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 0.00 190 L 8.93 4.05 0.00 1.87 1.90 1.03 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 191 E 8.31 4.05 0.00 2.10 2.03 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 2.42 2.49 0.00 192 D 8.08 4.36 0.00 3.06 2.73 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 0.00 193 L 8.26 4.09 0.00 1.95 1.83 1.09 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 194 F 8.41 3.94 0.00 3.18 3.31 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 0.00 195 V 7.96 4.08 2.27 0.00 0.00 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 0.97 0.00 0.00 196 G 7.92 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 K 7.52 4.02 0.00 1.83 1.64 0.00 1.68 0.00 0.00 1.89 0.00 0.00 2.78 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.51 1.39 7.81 198 K 7.91 4.60 0.00 1.74 1.68 0.00 1.64 0.00 0.00 2.25 0.00 0.00 3.02 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.36 1.22 7.81 199 K 7.71 3.68 0.00 1.77 1.47 0.00 1.40 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.20 0.77 7.81 200 S 7.96 4.96 0.00 4.04 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 201 F 9.33 5.16 0.00 2.97 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.78 5.18 0.00 1.70 1.80 0.00 1.71 0.00 0.00 1.79 0.00 0.00 2.82 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.47 7.81 203 I 8.83 4.62 1.91 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.03 0.80 0.00 0.00 204 G 8.68 4.72 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 205 R 7.94 4.46 0.00 1.86 2.05 0.00 2.97 0.00 0.00 3.29 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 206 K 9.85 4.01 0.00 1.79 1.39 0.00 1.78 0.00 0.00 1.79 0.00 0.00 2.72 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.44 7.81 207 G 9.33 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 0.00 208 P 0.00 4.10 0.00 2.01 1.96 0.00 3.82 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 2.01 2.09 0.00 209 H 9.34 3.83 0.00 3.28 3.35 0.00 5.87 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 210 G 8.20 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 211 A 8.03 4.45 1.25 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 0.00 0.00 0.00 212 S 8.56 4.56 0.00 3.70 3.75 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 0.00 0.00 0.00 0.00 213 E 8.76 4.57 0.00 1.98 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.42 0.00 214 K 8.31 4.61 0.00 1.60 1.73 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.45 7.81 215 T 9.22 4.50 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 216 Q 8.77 4.64 0.00 2.14 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.54 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 217 I 9.14 4.71 1.90 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.27 1.00 0.00 0.00 218 D 8.74 5.15 0.00 2.55 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.33 4.43 2.05 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.50 1.09 0.00 0.00 220 Q 8.62 4.28 0.00 2.12 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.00 0.00 0.00 0.00 0.00 0.00 2.25 2.23 0.00 221 L 7.84 3.36 0.00 1.64 1.33 1.04 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 222 K 6.55 4.04 0.00 0.79 1.28 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.01 0.55 7.81 223 P 0.00 4.46 0.00 1.87 1.83 0.00 3.46 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.13 0.00 224 G 9.16 4.09 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 0.00 0.00 0.00 225 W 8.21 4.56 0.00 3.33 3.17 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 0.00 0.00 0.00 226 K 8.60 4.41 0.00 1.79 1.72 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.60 7.81 227 A 8.45 4.12 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 228 G 9.09 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 229 T 7.19 4.08 3.50 0.00 0.00 0.00 0.00 0.00 0.00 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 0.00 230 K 7.99 5.66 0.00 1.78 1.68 0.00 1.01 0.00 0.00 2.21 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.23 1.15 7.81 231 I 8.45 4.78 2.09 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 1.16 0.00 0.00 232 T 8.25 4.73 4.22 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 0.00 0.00 0.00 1.19 0.00 0.00 *246 R 8.02 4.22 0.00 1.85 1.86 0.00 3.33 0.00 0.00 3.15 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 247 K 8.48 4.62 0.00 1.67 1.65 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.28 1.39 7.81 248 T 7.98 4.69 4.42 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 1.15 0.00 0.00 249 L 8.44 4.88 0.00 0.82 0.73 0.81 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 250 Q 9.14 4.31 0.00 1.87 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.86 0.00 0.00 0.00 0.00 0.00 2.20 2.38 0.00 251 F 8.15 5.38 0.00 3.39 2.92 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 0.00 252 V 8.73 4.76 2.09 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 0.90 0.00 0.00 1.11 0.00 0.00 253 I 8.44 4.09 1.85 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.63 1.03 0.00 0.00 254 Q 9.14 4.79 0.00 2.16 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.99 0.00 0.00 0.00 0.00 0.00 2.27 2.38 0.00 255 E 9.00 4.66 0.00 1.95 1.98 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 2.39 2.40 0.00 256 K 9.78 4.12 0.00 1.74 1.80 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.57 7.81 257 S 8.50 4.28 0.00 3.85 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 258 H 8.71 4.48 0.00 3.29 3.41 0.00 5.72 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 259 P 0.00 4.34 0.00 2.13 2.08 0.00 3.16 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.83 0.00 260 N 7.91 4.52 0.00 2.37 2.41 0.00 0.00 6.86 7.33 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 0.00 261 F 7.77 5.46 0.00 2.82 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 0.00 262 K 8.98 4.59 0.00 1.78 1.67 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.79 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.49 7.81 263 R 8.72 4.61 0.00 1.91 1.84 0.00 3.29 0.00 0.00 3.33 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.65 0.00 264 D 8.72 4.68 0.00 2.67 2.47 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 0.00 265 G 8.70 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 0.00 0.00 0.00 266 D 8.92 4.79 0.00 2.70 2.68 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 0.00 0.00 0.00 0.00 267 D 8.09 5.31 0.00 2.81 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 0.00 268 L 8.54 5.02 0.00 1.31 1.12 0.37 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 269 I 8.85 5.08 2.00 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 1.14 0.72 0.99 0.00 0.00 270 Y 9.24 5.01 0.00 3.42 2.92 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 0.00 271 T 7.91 4.82 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 1.21 0.00 0.00 272 L 9.05 4.60 0.00 2.17 1.85 1.12 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 273 P 0.00 4.98 0.00 2.12 2.02 0.00 3.76 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 274 L 8.63 5.00 0.00 1.55 1.47 0.29 -0.01 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 0.00 275 S 9.27 4.49 0.00 4.01 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 0.00 276 F 9.23 4.38 0.00 3.20 3.13 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 0.00 277 K 8.28 3.79 0.00 1.86 1.84 0.00 1.76 0.00 0.00 1.89 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.56 1.60 7.81 278 E 8.28 4.89 0.00 2.47 2.23 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 2.51 2.06 0.00 279 S 7.82 4.25 0.00 3.94 4.01 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 0.00 0.00 0.00 280 L 7.93 4.59 0.00 1.39 1.51 -0.05 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 281 L 8.25 4.31 0.00 1.59 1.68 0.90 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 282 G 6.77 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 283 F 8.05 5.01 0.00 3.24 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 0.00 284 S 8.11 4.92 0.00 3.73 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 285 K 8.26 4.51 0.00 1.94 1.88 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.62 1.60 7.81 286 T 8.22 4.76 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 1.22 0.00 0.00 287 I 8.95 4.54 1.39 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 -0.27 0.85 0.70 0.00 0.00 288 Q 8.32 4.99 0.00 1.94 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.82 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 289 T 9.12 4.26 4.17 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 0.00 0.00 1.17 0.00 0.00 290 I 8.25 3.91 1.40 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.06 0.60 0.00 0.00 291 D 7.71 4.55 0.00 2.67 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 0.00 0.00 0.00 292 G 8.12 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 0.00 293 R 7.46 4.15 0.00 1.68 1.82 0.00 3.08 0.00 0.00 3.20 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 294 T 8.35 4.80 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 1.22 0.00 0.00 295 L 9.83 4.69 0.00 1.56 1.36 0.26 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 296 P 0.00 4.81 0.00 2.11 2.04 0.00 3.73 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 297 L 7.73 4.88 0.00 1.86 1.96 1.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 298 S 8.02 4.04 0.00 3.67 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 0.00 299 R 6.94 4.61 0.00 1.12 1.55 0.00 2.93 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.16 0.00 300 V 7.97 4.38 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 0.68 0.00 0.00 0.88 0.00 0.00 301 Q 7.64 4.53 0.00 1.96 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.94 0.00 0.00 0.00 0.00 0.00 2.20 2.23 0.00 302 P 0.00 4.69 0.00 2.06 2.05 0.00 3.68 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 303 V 8.15 4.54 2.06 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 0.69 0.00 0.00 0.98 0.00 0.00 304 Q 9.05 4.14 0.00 2.26 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.66 0.00 0.00 0.00 0.00 0.00 2.46 2.50 0.00 305 P 0.00 4.11 0.00 2.11 2.08 0.00 3.72 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.21 0.00 306 S 7.82 4.78 0.00 3.93 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 0.00 307 Q 8.70 4.18 0.00 2.29 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.63 0.00 0.00 0.00 0.00 0.00 2.59 2.45 0.00 308 T 8.50 5.18 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 1.27 0.00 0.00 309 S 8.67 4.58 0.00 3.76 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 0.00 310 T 8.44 4.85 4.18 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 0.00 0.00 1.25 0.00 0.00 311 Y 9.38 4.56 0.00 2.95 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 312 P 0.00 4.36 0.00 2.10 2.00 0.00 3.80 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 313 G 8.74 4.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 314 Q 7.84 4.63 0.00 2.38 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.56 0.00 0.00 0.00 0.00 0.00 2.15 2.25 0.00 315 G 7.72 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 0.00 316 M 8.59 4.76 0.00 1.99 2.01 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.50 0.00 317 P 0.00 4.73 0.00 1.88 1.72 0.00 3.51 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.57 0.00 318 T 8.80 4.44 4.50 0.00 0.00 0.00 0.00 0.00 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 0.00 319 P 0.00 4.19 0.00 2.10 2.29 0.00 3.72 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.23 0.00 320 K 7.75 3.55 0.00 1.72 1.66 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.40 7.81 321 N 8.09 4.69 0.00 2.69 2.73 0.00 0.00 6.95 7.69 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 0.00 322 P 0.00 4.86 0.00 2.17 2.23 0.00 3.90 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.87 0.00 323 S 8.08 4.26 0.00 3.98 4.01 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 0.00 0.00 0.00 324 Q 8.09 4.72 0.00 2.08 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.68 0.00 0.00 0.00 0.00 0.00 2.24 2.43 0.00 325 R 8.55 4.89 0.00 1.68 2.09 0.00 3.39 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.59 0.00 326 G 9.52 4.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 327 N 9.21 5.39 0.00 2.96 2.99 0.00 0.00 7.01 6.54 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 0.00 328 L 8.62 4.83 0.00 1.96 1.64 1.04 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 329 I 9.40 5.01 1.90 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 1.23 0.58 0.91 0.00 0.00 330 V 8.90 4.86 2.11 0.00 0.00 0.00 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 0.94 0.00 0.00 331 K 9.24 4.57 0.00 1.73 1.62 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.83 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.36 7.81 332 Y 7.88 4.94 0.00 3.02 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 333 K 8.84 4.73 0.00 1.82 1.67 0.00 1.61 0.00 0.00 1.69 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.33 7.81 334 V 8.39 4.34 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 0.85 0.00 0.00 1.27 0.00 0.00 335 D 9.18 4.98 0.00 2.83 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 336 Y 8.66 4.84 0.00 2.66 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 0.00 337 P 0.00 4.53 0.00 2.06 1.92 0.00 3.16 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.50 0.00 338 I 7.93 4.13 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.53 0.91 0.00 0.00 339 S 8.67 3.98 0.00 3.81 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 340 L 8.10 4.76 0.00 1.89 1.54 0.86 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 341 N 8.93 4.64 0.00 2.98 3.01 0.00 0.00 7.06 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 342 D 8.51 4.26 0.00 2.70 2.75 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 0.00 0.00 0.00 0.00 343 A 8.27 3.96 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 344 Q 9.73 3.64 0.00 2.29 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.67 0.00 0.00 0.00 0.00 0.00 2.32 2.44 0.00 345 K 8.04 3.80 0.00 1.75 1.88 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.09 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.77 7.81 346 R 7.98 4.06 0.00 1.93 2.02 0.00 3.17 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.94 0.00 347 A 8.38 4.29 1.36 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 0.00 348 I 7.35 3.99 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 0.89 0.95 0.00 0.00 349 D 7.98 4.21 0.00 2.65 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.