NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Q 4.2718 8.3444 121.7225 55.6624 30.5286 174.2853 2 V 4.0133 8.0102 116.9376 61.4352 32.1136 173.3032 3 K 4.6347 10.1707 129.1159 55.7128 37.1016 173.6594 4 L 5.0293 8.4763 122.9893 53.0608 45.0031 175.4160 5 Q 4.6250 8.8813 127.1419 54.8258 30.2595 174.4375 6 Q 4.8157 8.7131 126.1030 55.3334 29.9489 175.8102 7 S 4.3779 9.5369 120.8288 60.4222 64.5908 173.2938 8 G 4.2038 9.0090 113.6702 45.3942 0.0000 170.8874 9 A 4.3959 7.9019 125.2204 52.7018 19.4465 176.6355 10 E 4.7721 9.0609 119.5835 54.4537 34.4689 174.3911 11 L 5.1775 8.5136 123.6140 53.5586 44.5573 175.8388 12 V 4.6432 8.6601 118.2692 59.5517 36.7144 175.0779 13 K 4.7567 8.4612 121.1870 54.8995 33.8476 174.9044 14 P 4.4651 0.0000 0.0000 64.7556 31.6011 177.1851 15 G 3.8376 9.5527 111.8280 45.0410 0.0000 173.2933 16 A 4.4572 7.6502 121.7886 51.4505 20.5870 176.1798 17 S 5.2310 8.3897 113.4959 57.1761 66.6595 174.2308 18 V 4.4709 8.5257 114.3841 59.6385 36.3268 174.2563 19 K 4.8167 8.4929 124.1503 54.8094 34.4968 175.3899 20 L 4.9218 8.9706 127.8573 53.3462 44.7818 175.3805 21 S 5.2873 8.4031 113.8240 57.2762 67.3186 172.7876 22 C 5.0446 8.7916 120.6565 55.9268 46.8039 172.0714 23 T 4.8196 8.6283 122.9432 62.2405 69.8157 174.2676 24 A 5.1952 8.2541 127.6504 50.4520 21.8481 176.0835 25 S 4.3869 8.8273 112.8999 58.2987 66.2214 175.3697 26 G 4.2629 10.4709 110.9491 45.4605 0.0000 173.1691 27 F 4.8482 7.1298 111.6773 55.8286 40.4786 173.0546 28 N 4.6230 8.6044 120.2622 51.9761 39.6603 176.6200 29 I 3.9338 8.4323 116.1980 62.9808 37.9282 178.1292 30 K 3.8531 8.1351 119.4077 59.7889 32.1457 176.8663 31 D 4.7759 8.1635 118.0980 54.2470 40.8323 175.3579 32 T 4.6337 8.1851 110.2010 60.9139 72.0081 171.4418 33 Y 5.1890 8.2473 118.3544 56.8265 40.0964 175.5727 34 M 4.5823 8.7477 122.8182 54.0722 34.4192 174.7324 35 H 5.0871 8.5971 121.5913 54.0366 31.5280 174.2492 36 W 5.1325 8.7771 121.2136 54.8933 32.4083 174.7814 37 V 5.0402 9.4191 123.6866 61.0478 34.7057 173.9286 38 K 4.7581 9.1837 128.0808 54.7952 35.1659 175.0766 39 Q 4.8182 8.3154 127.3627 54.4227 31.9168 174.3809 40 R 4.3477 8.7213 126.0484 55.3502 31.1754 176.2603 41 P 4.2183 0.0000 0.0000 65.5994 31.3286 177.8515 42 E 4.7054 8.0453 114.3714 56.1459 30.5366 175.5869 43 Q 4.6621 8.1545 120.3240 54.4703 31.5398 174.8394 44 G 4.1946 8.1600 105.7696 44.6842 0.0000 173.2326 45 L 4.2413 7.2739 119.4163 54.5655 42.3759 177.0866 46 E 4.9808 8.8204 120.9262 54.5155 33.8605 174.4279 47 W 4.9523 9.5653 135.0000 57.7979 31.2987 175.3777 48 I 3.4954 8.5079 129.0936 61.6805 37.6503 176.3483 49 G 2.9231 6.0125 105.6290 45.6667 0.0000 170.9566 50 R 5.0750 7.6673 115.2874 54.3656 33.5217 174.0097 51 I 4.7404 8.4891 118.9851 59.2096 42.0605 173.6683 52 D 4.9653 8.8889 128.3130 51.9916 41.5798 175.2138 53 P 4.2339 0.0000 0.0000 64.9359 31.7616 178.1744 54 A 4.1676 8.1957 121.3469 54.2285 18.2744 177.7412 55 N 4.8235 8.1212 109.0541 51.8139 38.4759 175.4315 56 G 3.9319 8.4803 107.4374 45.4266 0.0000 173.7631 57 N 4.5762 8.5465 118.8006 53.6739 39.4882 174.2669 58 T 4.8650 8.2638 111.6973 59.8356 72.5440 173.1571 59 K 4.5492 8.2261 120.7041 55.0161 36.3950 175.1910 60 Y 4.9628 8.5005 120.5155 55.8033 42.3848 174.5908 61 D 4.8504 9.1019 121.0663 53.1417 41.5803 175.2302 62 P 4.6739 0.0000 0.0000 65.6287 31.5507 178.6212 63 K 3.9089 8.3787 116.4303 59.0816 32.7184 177.8206 64 F 4.3583 8.5785 117.9303 57.9167 39.6523 175.5172 65 Q 3.6745 7.5059 123.1545 56.9581 29.0147 175.3396 66 G 4.0449 8.7391 113.5089 45.0509 0.0000 174.0005 67 K 4.4265 8.0811 117.3686 56.8901 34.7167 176.3104 68 A 5.1323 8.4258 120.9517 50.1883 21.4776 175.8542 69 T 4.5432 8.9602 119.2234 61.7240 71.6704 173.2716 70 I 4.6243 8.7963 127.9818 60.5897 38.5904 175.1935 71 T 4.8963 8.7849 119.5438 60.7407 71.4042 172.1103 72 A 5.1662 8.4497 125.0818 50.6318 22.8077 175.3892 73 D 4.7948 9.7576 120.9596 52.6239 43.7313 176.6599 74 T 3.9967 8.7018 117.8450 64.2863 69.3910 177.0298 75 S 4.1357 8.1539 116.4363 60.8648 63.0862 175.1608 76 S 4.3762 8.0106 114.1188 57.6958 63.3062 173.2121 77 N 4.1177 7.8915 118.0723 54.7305 37.8699 172.7759 78 T 5.0066 7.8999 111.4658 61.0750 71.9567 173.1230 79 A 5.0951 8.5734 127.4554 50.5515 22.0530 175.1227 80 Y 5.4046 9.3736 117.2356 56.1518 42.9781 174.6273 81 L 4.2172 8.5127 122.2324 53.3110 45.0404 174.7105 82 Q 4.7367 9.0911 128.9633 54.4438 31.0005 174.0159 83 L 5.0837 8.7763 126.6887 53.0403 44.5412 175.7676 84 S 4.8960 8.3205 118.8434 55.8557 65.6449 174.1385 85 S 3.6305 8.4094 116.1264 59.3865 60.3395 173.2520 86 L 4.2351 8.0316 120.4996 55.2734 42.5325 177.4560 87 T 4.8730 9.0546 112.5306 59.2560 72.2874 174.4779 88 S 4.1331 8.7412 114.7281 61.7392 62.1363 175.7063 89 E 4.2295 7.8468 117.4802 58.1963 29.1760 177.1490 90 D 4.7252 8.2458 118.1448 54.8631 41.5227 176.4279 91 T 4.2365 7.6206 116.0058 64.5044 68.8919 173.2980 92 A 4.3129 8.8145 127.5113 51.4407 23.8215 174.2203 93 V 4.4077 8.2845 119.0980 61.6648 33.5932 174.2458 94 Y 5.1363 8.9096 126.0940 56.7544 40.0549 174.4738 95 Y 5.3631 9.4110 123.2533 56.7549 40.7593 172.6649 96 C 4.4313 8.4909 115.7942 53.9588 45.0479 172.1876 97 A 4.6591 7.8577 120.1679 50.8264 22.9584 175.2522 98 R 4.4770 8.5759 120.3474 54.4209 32.3025 174.5762 99 W 5.5231 8.2991 126.6424 55.1405 31.1804 175.3327 100 D 4.3676 9.3817 122.3832 52.3598 44.1379 174.2543 101 W 4.1280 8.3617 124.5432 58.6639 29.2060 175.0734 102 Y 3.1744 5.7241 118.9842 58.5669 35.0370 171.0568 103 F 4.8823 8.6012 114.3702 57.3948 41.1858 174.5109 104 D 5.0542 8.2424 121.0693 55.0676 41.3066 176.2901 105 V 4.8120 8.8504 121.3956 61.4675 35.4003 173.4303 106 W 5.2712 9.0197 125.6113 54.7156 32.9224 175.4606 107 G 4.2532 9.0156 112.3375 44.7031 0.0000 173.8688 108 Q 4.1764 8.5651 116.1378 57.0690 29.0907 177.1403 109 G 3.6966 9.4675 104.7467 45.5205 0.0000 172.8938 110 T 4.5674 8.1020 113.3776 60.4814 70.9870 173.0809 111 T 4.5267 8.7070 126.2896 63.6066 70.0296 173.4229 112 V 4.7695 9.4508 126.7822 61.3988 34.5809 174.1048 113 T 4.8806 8.9450 124.9135 61.7724 71.2548 173.3405 114 V 4.6092 8.9075 127.9686 61.6360 32.2315 174.8650 115 S 4.7137 8.9012 123.4458 56.4258 64.8632 173.0906 116 S 4.4447 8.7423 121.7747 56.5585 63.0830 173.8661 *117 G 3.6787 8.4538 113.4147 45.3885 0.0000 172.4286 *201 D 4.3723 8.2209 119.8537 54.0289 41.2802 174.9625 202 I 3.9153 8.2801 125.7377 60.9213 38.0483 175.2179 203 E 4.5253 8.7724 126.2839 54.9594 31.1640 174.2449 204 L 5.1246 8.5853 127.2431 53.4608 44.2829 175.3600 205 T 4.6567 9.0531 121.7686 61.9990 70.6623 173.4281 206 Q 5.4217 8.7026 125.5859 53.8099 30.5171 175.3277 207 S 5.0162 8.1106 116.5528 55.5403 66.8802 171.7104 208 P 4.2955 0.0000 0.0000 62.1551 32.1012 176.1697 209 S 4.5821 8.7185 115.1267 61.3370 63.4467 173.8196 210 S 5.0349 7.7165 111.3967 57.4367 65.6801 173.3899 211 M 4.4712 8.9243 120.5667 54.6243 36.0802 172.5793 212 Y 5.1905 8.0506 121.3971 56.7753 39.4955 174.8279 213 T 4.9155 9.6325 118.2540 60.4580 71.8861 172.4460 214 S 4.7546 8.9585 120.0000 57.3363 65.5139 176.8048 215 L 3.1770 7.4367 122.4479 54.4592 41.4763 177.6055 216 G 4.0925 8.8355 103.7383 46.7289 0.0000 173.2468 217 E 4.4030 8.0106 122.2389 55.8281 31.4381 175.2595 218 R 5.2178 8.2616 123.3223 54.2932 31.2512 175.2662 219 V 4.3760 8.6710 127.2127 61.3558 34.1967 174.4451 220 T 4.9150 8.2882 123.0529 62.0076 71.4559 173.2138 221 I 4.5924 8.4969 127.9246 59.7731 40.0559 174.9462 222 T 5.3286 8.4073 113.9702 60.2674 72.7365 172.1438 223 C 5.3806 9.9260 122.2914 55.3304 43.9657 172.5546 224 K 5.2278 9.3465 126.0798 54.8725 34.5756 175.4491 225 A 5.7508 8.6073 127.3950 48.9168 22.1910 175.5541 226 S 4.6515 8.5198 108.3661 58.4761 63.9980 174.3934 227 Q 3.7991 8.1498 119.4636 56.4238 25.9677 172.9612 228 D 4.3014 7.9989 116.3193 54.4003 41.4869 178.3441 229 I 3.3534 7.5160 120.5610 60.2673 38.6941 171.6693 230 N 4.4227 8.5381 117.0738 53.9784 38.4481 175.5316 231 S 3.5440 8.1879 121.2847 59.5795 61.5803 172.2894 232 Y 4.9623 6.8248 116.6379 56.5840 36.4205 173.9975 233 L 4.8306 7.4097 122.1671 53.1657 46.2076 175.0235 234 R 4.6953 8.4421 125.2594 54.2931 32.7703 175.0523 235 W 4.9893 8.2199 122.0257 55.0207 31.5614 175.0673 236 F 5.4112 9.4996 123.3849 55.6687 42.1487 174.1378 237 Q 4.5166 8.9943 122.9597 54.1964 31.7818 173.7407 238 Q 4.6935 8.8637 128.0688 54.2301 31.6949 174.4864 239 K 4.7533 8.3324 125.0399 53.7433 35.2239 174.1487 240 P 4.2189 0.0000 0.0000 64.5428 31.5147 177.1312 241 G 3.9456 8.9991 110.0921 45.6238 0.0000 172.9041 242 K 4.7001 7.8892 118.3245 53.7828 35.2672 176.2239 243 S 3.8552 8.2230 114.9838 57.2750 63.6887 172.3856 244 P 4.3276 0.0000 0.0000 62.3306 31.7549 175.7550 245 K 4.6480 8.7246 122.4093 55.4134 35.5024 175.2119 246 T 4.3390 8.5303 119.0943 63.4292 68.9215 174.2558 247 L 4.3913 8.8556 126.1744 55.6424 44.2346 176.7447 248 I 5.1735 7.3121 117.8804 59.6122 41.4344 174.2419 249 Y 4.9268 9.1926 123.3948 56.6381 41.4601 175.0502 250 Y 4.3153 10.2527 120.2714 57.7563 37.1934 171.7550 251 A 4.1959 8.4489 126.3670 52.9101 18.6555 179.8280 252 T 4.8320 7.7572 100.1983 60.9086 70.5101 173.0354 253 S 4.8921 8.3622 118.6854 56.8342 64.2845 173.1506 254 L 4.8168 8.6970 126.9813 54.4153 42.3116 176.7879 255 A 4.6740 9.0949 125.3797 51.7911 20.0676 176.5403 256 D 4.3831 8.7626 119.7247 55.6765 41.2302 177.5021 257 G 3.9828 9.0207 112.9163 44.9927 0.0000 173.4747 258 V 3.8252 7.1397 120.2341 61.4962 32.1918 174.0391 259 P 4.4654 0.0000 0.0000 62.8858 31.8672 177.3206 260 S 4.2037 8.8366 117.2477 62.0963 63.0872 176.0680 261 R 3.9870 8.1491 118.6707 59.0889 30.6957 177.1607 262 F 5.0699 7.8841 116.6885 57.0366 40.2796 175.6573 263 S 4.6759 8.6836 114.5679 57.6002 66.3733 173.8633 264 G 4.5169 8.5301 107.3781 43.8013 0.0000 171.8053 265 S 4.7447 9.1112 116.6106 57.2224 68.1286 173.4482 266 G 3.9806 9.9631 106.8216 46.1274 0.0000 172.5310 267 S 4.4710 7.8283 111.5379 58.2989 65.9968 177.0170 268 G 4.0566 8.3040 111.2310 46.6925 0.0000 176.9362 269 Q 4.4325 8.6416 124.4662 55.2884 30.1817 173.8558 270 D 5.1849 7.2532 118.4213 52.6777 43.1707 174.8787 271 Y 5.3850 9.1561 121.2559 56.3367 42.5160 174.8761 272 S 5.2309 9.2769 114.8692 56.9939 67.3829 172.4044 273 L 4.7181 8.5112 123.0110 53.1804 44.7080 175.1427 274 T 4.9245 8.8756 116.4215 59.8181 72.1188 172.7775 275 I 4.6082 8.5546 125.5627 59.2188 39.9606 175.1141 276 S 4.7670 9.0252 126.7101 58.0826 64.2118 176.8714 277 S 4.5992 9.1342 118.7571 57.5654 62.9221 173.1409 278 L 3.7569 8.5835 128.3209 56.0830 42.1978 176.7631 279 E 4.5077 9.6439 126.1272 55.1538 31.2844 177.5172 280 S 4.2306 8.6436 114.8510 60.5139 62.6577 174.3918 281 D 4.5585 7.9790 117.8247 56.2299 41.2524 176.1840 282 D 4.7779 7.7535 117.0830 55.8030 41.2278 176.3159 283 T 4.0522 7.9791 115.2294 62.3676 67.7846 173.3724 284 T 3.9507 7.4049 116.9552 62.1342 73.2614 170.4885 285 T 4.9182 8.0352 118.1580 62.4641 71.1765 173.0782 286 Y 5.0948 8.9700 124.9093 56.7353 40.2506 174.4419 287 Y 5.6832 9.5117 121.7032 56.4222 42.0547 172.2242 288 C 4.5542 9.5681 117.7868 53.6194 43.8232 172.3719 289 L 4.8996 7.8423 122.1142 53.3040 45.4578 174.7184 290 Q 4.7641 8.6024 124.8926 54.4607 30.7369 175.5559 291 H 4.2862 8.6222 120.2760 55.1303 28.3862 175.1907 292 G 3.8639 8.2608 110.1506 48.4308 0.0000 174.8443 293 E 4.6138 7.6834 116.7826 54.3921 33.4252 175.2855 294 S 4.1325 8.6410 117.5883 56.7916 61.6238 171.0972 295 P 4.7442 0.0000 0.0000 60.7651 32.7419 175.2036 296 Y 4.3707 6.5507 120.2101 58.8083 38.3904 175.6283 297 T 4.8658 8.4887 116.2984 60.4601 71.3482 172.3592 298 F 5.2925 8.9977 124.9681 55.5947 40.8748 175.8235 299 G 4.0956 9.0908 109.8302 45.7097 0.0000 174.9025 300 G 3.7530 8.8661 108.5949 46.6471 0.0000 175.3045 301 G 3.6564 8.3711 104.9762 45.7499 0.0000 173.2351 302 T 4.7105 8.1331 115.2936 61.4611 72.2973 173.4606 303 K 4.7615 8.6385 129.4901 55.5100 32.8009 175.4048 304 L 4.7664 9.0814 129.2390 53.8090 43.4571 175.8180 305 E 4.4772 9.1604 122.8791 55.7761 32.5190 174.8550 306 I 4.4011 8.8957 126.4869 62.2491 38.0454 176.5770 *307 K 4.1215 8.2458 129.1995 55.2239 32.2370 178.0515 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 1 Q 8.34 4.27 0.00 2.07 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.90 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 2 V 8.01 4.01 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 0.94 0.00 0.00 1.06 0.00 0.00 3 K 10.17 4.63 0.00 1.87 1.64 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.83 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.45 7.81 4 L 8.48 5.03 0.00 1.64 1.52 0.93 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 5 Q 8.88 4.62 0.00 2.18 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.92 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 6 Q 8.71 4.82 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.69 0.00 0.00 0.00 0.00 0.00 2.31 2.41 0.00 7 S 9.54 4.38 0.00 3.77 3.83 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 8 G 9.01 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 0.00 0.00 0.00 0.00 9 A 7.90 4.40 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 10 E 9.06 4.77 0.00 1.87 1.78 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 0.00 2.46 2.36 0.00 11 L 8.51 5.18 0.00 1.59 1.51 0.98 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 12 V 8.66 4.64 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 0.67 0.00 0.00 0.92 0.00 0.00 13 K 8.46 4.76 0.00 1.75 1.71 0.00 1.57 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.50 1.52 7.81 14 P 0.00 4.47 0.00 2.03 2.01 0.00 3.67 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 2.03 2.11 0.00 15 G 9.55 3.84 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 0.00 0.00 0.00 16 A 7.65 4.46 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 17 S 8.39 5.23 0.00 3.69 3.65 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 18 V 8.53 4.47 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 0.63 0.00 0.00 0.79 0.00 0.00 19 K 8.49 4.82 0.00 1.76 1.55 0.00 1.53 0.00 0.00 1.38 0.00 0.00 2.13 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.22 1.28 7.81 20 L 8.97 4.92 0.00 1.46 1.62 0.63 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.40 5.29 0.00 3.59 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 0.00 22 C 8.79 5.04 0.00 2.78 2.98 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 23 T 8.63 4.82 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 1.17 0.00 0.00 24 A 8.25 5.20 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 S 8.83 4.39 0.00 3.84 3.86 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 26 G 10.47 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 27 F 7.13 4.85 0.00 3.00 2.94 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 28 N 8.60 4.62 0.00 2.78 2.74 0.00 0.00 6.69 7.48 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 29 I 8.43 3.93 1.86 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 1.01 1.04 0.74 0.00 0.00 30 K 8.14 3.85 0.00 1.90 2.02 0.00 1.56 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.42 1.49 7.81 31 D 8.16 4.78 0.00 2.96 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 32 T 8.19 4.63 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 33 Y 8.25 5.19 0.00 2.71 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 M 8.75 4.58 0.00 1.70 1.89 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.62 0.00 35 H 8.60 5.09 0.00 2.36 2.86 0.00 5.75 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 W 8.78 5.13 0.00 2.98 2.94 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 37 V 9.42 5.04 2.53 0.00 0.00 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 1.22 0.00 0.00 38 K 9.18 4.76 0.00 1.74 1.60 0.00 1.96 0.00 0.00 1.95 0.00 0.00 2.85 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.15 0.82 7.81 39 Q 8.32 4.82 0.00 2.11 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.73 0.00 0.00 0.00 0.00 0.00 2.22 2.21 0.00 40 R 8.72 4.35 0.00 1.91 1.83 0.00 3.24 0.00 0.00 3.44 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.67 0.00 41 P 0.00 4.22 0.00 2.04 2.13 0.00 3.60 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.14 0.00 42 E 8.05 4.71 0.00 1.92 1.92 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 2.20 2.24 0.00 43 Q 8.15 4.66 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.74 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 44 G 8.16 4.19 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 0.00 0.00 0.00 45 L 7.27 4.24 0.00 0.27 0.13 -0.10 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.82 4.98 0.00 2.11 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 0.00 2.40 2.32 0.00 47 W 9.57 4.95 0.00 3.57 3.46 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.51 3.50 1.76 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.10 0.57 0.00 0.00 49 G 6.01 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 0.00 0.00 0.00 50 R 7.67 5.07 0.00 1.69 1.81 0.00 2.38 0.00 0.00 2.48 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 51 I 8.49 4.74 1.78 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 1.13 1.53 0.90 0.00 0.00 52 D 8.89 4.97 0.00 2.23 2.35 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 53 P 0.00 4.23 0.00 2.09 2.10 0.00 3.95 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.08 0.00 54 A 8.20 4.17 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 N 8.12 4.82 0.00 2.77 2.88 0.00 0.00 6.08 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 G 8.48 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 57 N 8.55 4.58 0.00 2.52 2.65 0.00 0.00 6.43 7.55 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 58 T 8.26 4.87 3.62 0.00 0.00 0.00 0.00 0.00 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 59 K 8.23 4.55 0.00 1.54 1.73 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.28 1.50 7.81 60 Y 8.50 4.96 0.00 2.83 2.80 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 61 D 9.10 4.85 0.00 3.11 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 62 P 0.00 4.67 0.00 2.25 2.17 0.00 3.80 0.00 0.00 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.20 0.00 63 K 8.38 3.91 0.00 1.72 1.97 0.00 1.41 0.00 0.00 1.58 0.00 0.00 2.44 0.00 0.00 2.49 0.00 0.00 0.00 0.00 1.08 0.46 7.81 64 F 8.58 4.36 0.00 3.28 3.06 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 0.00 0.00 0.00 0.00 65 Q 7.51 3.67 0.00 1.83 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.73 0.00 0.00 0.00 0.00 0.00 2.22 1.85 0.00 66 G 8.74 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 K 8.08 4.43 0.00 1.69 1.86 0.00 1.54 0.00 0.00 1.80 0.00 0.00 2.88 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.55 1.37 7.81 68 A 8.43 5.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 T 8.96 4.54 4.14 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 1.19 0.00 0.00 70 I 8.80 4.62 1.79 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.45 1.02 0.00 0.00 71 T 8.78 4.90 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 1.33 0.00 0.00 72 A 8.45 5.17 1.20 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 0.00 0.00 73 D 9.76 4.79 0.00 2.83 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 T 8.70 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 1.25 0.00 0.00 75 S 8.15 4.14 0.00 4.04 4.04 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 0.00 0.00 0.00 0.00 76 S 8.01 4.38 0.00 3.91 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 77 N 7.89 4.12 0.00 2.84 2.68 0.00 0.00 6.89 6.50 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 78 T 7.90 5.01 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 0.68 0.00 0.00 79 A 8.57 5.10 1.27 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 0.00 0.00 0.00 80 Y 9.37 5.40 0.00 2.76 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 81 L 8.51 4.22 0.00 0.27 0.43 0.27 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 82 Q 9.09 4.74 0.00 2.01 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.53 0.00 0.00 0.00 0.00 0.00 2.15 2.23 0.00 83 L 8.78 5.08 0.00 1.26 1.37 0.95 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 84 S 8.32 4.90 0.00 3.85 3.69 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 85 S 8.41 3.63 0.00 3.91 3.83 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 86 L 8.03 4.24 0.00 1.76 1.60 0.89 0.41 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 87 T 9.05 4.87 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 1.25 0.00 0.00 88 S 8.74 4.13 0.00 3.88 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 89 E 7.85 4.23 0.00 1.98 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 0.00 2.36 2.30 0.00 90 D 8.25 4.73 0.00 2.81 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 91 T 7.62 4.24 4.37 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 1.40 1.04 1.10 0.00 0.00 249 Y 9.19 4.93 0.00 2.69 2.94 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 0.00 250 Y 10.25 4.32 0.00 3.03 3.11 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 0.00 0.00 0.00 0.00 251 A 8.45 4.20 1.44 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 0.00 0.00 252 T 7.76 4.83 4.28 0.00 0.00 0.00 0.00 0.00 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 0.00 253 S 8.36 4.89 0.00 4.12 4.19 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 0.00 254 L 8.70 4.82 0.00 1.67 1.68 1.14 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 255 A 9.09 4.67 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 0.00 256 D 8.76 4.38 0.00 2.72 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 274 T 8.88 4.92 4.11 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 0.00 0.00 0.00 1.10 0.00 0.00 275 I 8.55 4.61 1.57 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.42 0.30 0.00 0.00 276 S 9.03 4.77 0.00 3.80 3.24 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 0.00 277 S 9.13 4.60 0.00 3.84 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 0.00 278 L 8.58 3.76 0.00 1.63 1.60 0.87 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 279 E 9.64 4.51 0.00 1.91 1.84 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 2.24 2.36 0.00 280 S 8.64 4.23 0.00 3.84 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 0.00 281 D 7.98 4.56 0.00 2.70 2.72 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 0.00 282 D 7.75 4.78 0.00 2.86 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 0.00 283 T 7.98 4.05 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 284 T 7.40 3.95 4.11 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 0.00 0.00 0.00 1.13 0.00 0.00 285 T 8.04 4.92 4.14 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 0.64 0.00 0.00 286 Y 8.97 5.09 0.00 2.98 3.11 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 0.00 0.00 0.00 0.00 287 Y 9.51 5.68 0.00 3.12 3.03 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 0.00 288 C 9.57 4.55 0.00 2.02 1.18 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 0.00 289 L 7.84 4.90 0.00 1.24 1.16 0.23 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 290 Q 8.60 4.76 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.67 0.00 0.00 0.00 0.00 0.00 2.20 2.38 0.00 291 H 8.62 4.29 0.00 1.56 2.34 0.00 5.55 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 0.00 292 G 8.26 3.86 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 0.00 293 E 7.68 4.61 0.00 1.94 1.83 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 2.24 2.32 0.00 294 S 8.64 4.13 0.00 3.71 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 295 P 0.00 4.74 0.00 2.54 2.45 0.00 3.99 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.13 0.00 296 Y 6.55 4.37 0.00 1.63 2.42 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 0.00 297 T 8.49 4.87 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 298 F 9.00 5.29 0.00 3.11 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 0.00 299 G 9.09 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 0.00 300 G 8.87 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 0.00 0.00 0.00 301 G 8.37 3.66 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 0.00 0.00 0.00 302 T 8.13 4.71 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 1.25 0.00 0.00 303 K 8.64 4.76 0.00 1.84 1.66 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.82 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.40 7.81 304 L 9.08 4.77 0.00 1.86 1.67 0.86 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 305 E 9.16 4.48 0.00 2.13 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 2.25 2.52 0.00 306 I 8.90 4.40 1.90 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 1.31 1.40 0.93 0.00 0.00 *307 K 8.25 4.12 0.00 1.52 1.62 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.15 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.