NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 V 4.0470 7.9133 120.3886 62.9597 33.6506 177.3326 8 K 3.7257 8.1295 118.8467 59.6702 31.9523 175.7235 9 E 3.9660 8.7644 120.1189 59.9223 29.6820 179.3317 10 L 3.9598 7.6801 118.1628 58.2903 42.1519 178.9565 11 L 3.9980 7.7776 118.7999 57.9666 41.1137 178.9072 12 E 3.8146 8.6614 117.4074 60.1401 29.4818 179.4322 13 A 3.3741 8.0974 121.8533 54.8641 18.4322 179.5183 14 G 3.8511 7.4718 103.7254 46.7828 0.0000 175.1297 15 V 4.6328 7.4009 109.4795 59.8785 33.6456 174.0968 16 H 4.8796 8.7187 111.0054 56.3193 31.6614 173.5402 17 F 4.9902 8.4078 114.5525 54.9794 40.9403 171.6423 18 G 3.5970 8.7690 111.5236 46.1328 0.0000 170.5656 19 H 4.9862 8.1883 126.0464 54.9354 33.0776 175.5684 20 E 4.0409 9.0186 114.9989 56.5814 30.0290 174.8093 21 R 4.5699 8.2368 117.8615 55.1640 32.8118 175.3360 22 K 3.6972 8.9281 120.6232 57.4133 29.9247 174.9037 23 R 4.8139 7.7295 114.1609 55.5966 31.4713 177.4581 24 W 4.6681 8.4610 113.8836 56.6198 28.2463 176.3319 25 N 4.0281 8.6259 107.1501 52.3900 39.6115 174.1600 26 P 2.9700 0.0000 0.0000 64.4748 32.2419 178.8795 27 K 3.6908 7.3666 117.5573 59.3728 31.9803 177.0858 28 F 4.4786 8.4482 118.9260 58.3251 39.2162 176.1870 29 A 4.3944 7.8450 125.4037 54.2391 18.5475 180.8176 30 R 3.7826 7.6510 111.1836 58.6786 29.5940 176.4336 31 Y 4.9340 6.5352 116.7791 56.1803 37.7303 175.2837 32 I 4.5893 7.2329 117.0714 60.4088 41.5994 172.7106 33 Y 4.3200 8.5332 127.4224 58.6700 40.0102 174.9756 34 A 4.3831 7.1527 119.8186 52.3151 22.4003 174.0305 35 E 5.8174 8.3132 109.0130 53.3799 29.6777 175.3381 36 R 3.9768 7.8766 120.7906 56.8760 31.0815 176.3889 37 N 3.8789 10.1118 120.2521 54.6148 37.7423 173.3207 38 G 4.2205 8.4742 105.9069 45.6013 0.0000 175.5483 39 I 3.7247 7.4910 120.3604 61.1529 37.8943 175.0751 40 H 4.8523 8.3727 120.2738 55.5664 29.6296 174.6824 41 I 4.1930 8.3649 126.3024 59.4842 38.2251 175.6837 42 I 4.2211 8.3067 127.9919 60.5869 38.7425 175.3576 43 D 4.6274 8.8617 127.2147 53.8930 40.8369 176.7714 44 L 4.0911 8.7061 128.3148 57.7889 41.8741 178.7770 45 Q 3.9473 8.2486 119.1211 59.5699 28.4500 178.8599 46 K 4.1765 8.0644 119.1024 59.2389 32.1211 178.8832 47 T 3.8255 8.1794 116.9169 66.7145 68.2404 175.8670 48 M 4.3459 8.0139 119.4514 58.8727 32.2400 177.8954 49 E 3.8867 7.6701 116.0325 58.7324 29.8501 178.2583 50 E 4.4512 7.6743 117.7066 57.6849 30.5528 178.1541 51 L 3.9981 8.7423 120.4562 58.0513 41.6428 178.0449 52 E 3.9972 9.5192 118.3437 58.8917 29.1894 178.5368 53 R 3.8558 8.2944 116.9727 60.1492 30.7048 178.1471 54 T 3.7640 7.7687 114.7743 66.7580 68.4446 176.3558 55 F 4.1956 8.2633 119.6262 60.9632 38.6294 177.8797 56 R 3.9013 8.6725 118.0481 59.0465 29.9400 178.2514 57 F 4.1072 7.7348 119.2299 60.1482 39.8189 177.4411 58 I 3.5096 7.8535 119.8545 64.4670 36.9401 177.7878 59 E 3.8634 8.7911 120.0534 59.3913 29.3554 178.0268 60 D 4.4579 7.3482 114.4978 55.5997 41.4683 176.4060 61 L 4.2978 7.0151 118.4979 56.9181 43.2946 177.7066 62 A 3.9269 8.3423 122.3400 55.4930 18.3874 178.5967 63 M 4.5867 8.0204 110.4320 55.5255 31.1233 176.6395 64 R 4.4388 7.6599 113.1106 55.1203 30.9288 175.6728 65 G 3.9548 7.8820 105.4408 47.3017 0.0000 174.1170 66 G 4.1345 7.5612 104.7822 43.6421 0.0000 171.6948 67 T 4.4414 8.3634 113.7843 61.1014 70.9478 173.4235 68 I 4.9270 8.2992 123.5998 59.5077 40.3765 174.6815 69 L 4.7598 8.4986 129.6036 54.3857 43.1306 175.3125 70 F 5.2338 9.3109 125.8838 56.6741 41.0091 175.3664 71 V 5.0227 8.8215 121.9939 61.4119 34.8903 174.5987 72 G 4.2811 9.1517 114.8861 45.8725 0.0000 173.2264 73 T 4.8849 8.9085 115.8398 60.8525 69.7717 174.1868 74 K 4.4540 7.6233 122.6192 55.2504 34.5536 176.9807 75 K 3.8341 8.9216 124.2101 59.8588 32.0690 178.5819 76 Q 4.1512 8.1452 114.9518 58.2268 28.6696 176.7821 77 A 4.7151 8.0492 120.3828 51.9356 19.4334 177.3141 78 Q 4.2366 7.5320 119.7281 58.6946 29.7520 178.0820 79 D 4.4070 8.2936 117.6127 57.9511 41.3393 179.1792 80 I 3.9579 7.7290 107.8301 61.8783 37.2056 176.6530 81 V 4.1818 8.0859 120.5756 63.2780 32.2478 177.0609 82 R 2.9084 7.9536 118.5899 59.8485 29.8584 177.0026 83 M 4.1852 7.8737 119.0992 56.8902 32.1313 177.6043 84 E 3.9939 7.9974 119.8746 59.0099 29.8789 179.3189 85 A 3.8072 7.0184 120.4709 54.5698 19.1879 179.2294 86 E 3.9856 7.4513 116.1546 59.3317 29.2033 178.6452 87 R 4.4184 8.1531 116.8376 56.2622 29.7251 177.0135 88 A 4.4015 7.9253 114.0643 51.8912 21.3056 177.1184 89 G 4.0600 7.7150 104.7447 48.0613 0.0000 174.1092 90 M 4.9248 8.2301 116.7436 52.3276 35.2365 175.6682 91 P 4.8185 0.0000 0.0000 63.8009 32.9619 174.4330 92 Y 5.6228 7.9440 118.6932 56.6117 41.9328 174.4288 93 V 4.3945 9.2910 118.7697 61.7888 33.6215 174.8373 94 N 5.1295 9.1959 126.0166 53.5772 40.9704 175.7880 95 Q 4.6301 7.7885 120.5771 55.8387 27.7631 177.7932 96 R 4.1274 8.5937 128.2657 56.1623 29.2826 176.2127 97 W 4.2047 8.5723 134.3475 56.7966 28.5376 175.4189 98 L 3.7873 7.5350 123.5559 54.3564 41.2971 176.7953 99 G 3.7136 8.0348 108.1382 45.1339 0.0000 174.6742 100 G 3.8668 10.4307 110.5665 46.0843 0.0000 175.4267 101 M 3.7810 6.8552 121.8816 58.2743 31.6619 178.6308 102 L 4.2363 7.6135 116.7484 57.7540 42.4691 178.4585 103 T 3.9989 8.5744 115.8219 66.0342 68.9345 175.0557 104 N 4.8813 8.1172 121.1377 52.1493 38.0691 174.6480 105 F 4.9408 8.1047 124.9685 60.5067 40.3235 176.8932 106 K 3.9310 8.2121 117.4766 58.0864 32.3485 176.1069 107 T 4.6229 8.0538 112.7430 64.7138 70.8011 176.4252 108 I 3.8753 7.4047 121.5211 64.4261 37.0103 178.5141 109 S 4.0798 7.7657 114.9956 60.8602 62.1226 176.0405 110 Q 4.0458 8.4011 121.1115 57.8085 28.2887 177.5350 111 R 4.0556 7.8165 117.6333 56.8308 30.7805 178.3964 112 V 3.8176 7.4838 118.5041 66.1558 31.4682 177.2409 113 H 4.2904 8.3723 115.0215 57.8231 28.6034 176.8339 114 R 3.9564 7.4897 120.0827 57.5664 30.1713 177.9226 115 L 4.0333 7.9850 121.0880 57.9965 42.0566 178.3355 116 E 4.0731 8.0592 116.0566 58.3761 29.4560 178.4660 117 E 3.9664 7.6329 120.2169 59.2880 29.4909 178.8399 118 L 3.9853 7.5744 117.8495 57.1114 41.7774 178.4801 119 E 3.8766 8.2639 118.6485 59.1540 29.5471 178.1689 120 A 4.5045 7.6461 118.2185 52.7546 19.6343 177.8219 121 L 4.3792 7.0842 116.9426 55.1787 42.2771 177.7082 122 F 4.5261 7.8869 119.3762 60.8772 40.3007 176.0773 123 A 4.1215 7.7085 125.3882 50.4434 17.4828 175.7458 124 S 4.5027 7.4696 113.0547 57.4300 64.9041 173.3362 125 P 4.6090 0.0000 0.0000 63.2031 31.1645 177.4626 126 E 3.8862 7.6773 119.4271 58.3069 29.7833 178.4245 127 I 3.8864 7.5643 118.3104 62.9014 37.6562 176.3498 128 E 4.0829 7.4441 120.9122 58.7286 30.3343 177.3756 129 E 4.4325 7.4358 118.2450 53.7049 28.5392 177.1195 130 R 3.5606 8.8862 130.2678 56.4152 27.4960 173.9072 131 P 4.3999 0.0000 0.0000 62.3086 31.7308 177.4344 132 K 4.0928 8.5817 118.9502 59.1502 31.7058 178.5934 133 K 4.1108 8.0842 117.8892 58.5624 32.0625 177.7068 134 E 4.4563 8.4911 117.7574 56.5166 30.2410 177.9893 135 Q 4.0263 7.6919 118.5144 58.7590 29.3265 178.0931 136 V 3.6630 7.5212 119.0372 66.2888 31.4414 177.7703 137 R 3.9909 7.5516 115.4769 59.0383 29.7871 178.8499 138 L 4.2012 8.4397 119.1748 57.4674 41.6829 180.0097 139 K 4.0780 8.1013 119.0457 59.5647 32.1321 178.4543 140 H 4.0253 8.2330 118.3255 59.5596 29.9148 176.5370 141 E 3.9155 8.8021 121.1765 59.5261 29.2591 178.7415 142 L 3.9400 7.6572 119.9862 58.4398 42.0762 177.9433 143 E 3.8468 8.5610 118.5796 60.3476 29.3868 179.6918 144 R 3.5656 8.2380 115.5544 58.9320 29.4986 178.4237 145 L 3.8729 7.7036 120.8829 58.3979 41.8260 178.9362 146 Q 3.9191 8.4573 118.1349 58.7227 28.9744 177.6006 147 K 3.7970 7.6615 120.3731 59.8061 32.2268 177.7160 148 Y 4.6841 7.4339 113.9184 58.7331 38.8423 176.7973 149 L 4.8412 7.4779 119.9282 54.5810 42.7872 178.7990 150 S 4.0181 8.3471 118.0427 60.8141 63.2430 175.5334 151 G 2.7530 7.2604 105.3795 44.7463 0.0000 172.7379 152 F 4.8230 7.7583 123.8244 56.6989 37.8119 173.7347 153 R 4.3250 7.5357 121.6608 58.2990 35.1127 178.8481 154 L 2.7153 6.7453 109.0085 54.7570 42.9662 177.0470 155 L 4.2765 8.2002 123.8706 54.4568 43.1452 178.5107 156 K 4.5842 8.4082 127.6974 53.9023 30.7331 176.3564 157 R 4.4073 6.9281 116.2299 55.2239 33.1521 173.8156 158 L 3.8254 8.3537 123.6670 53.6814 41.7773 175.4363 159 P 4.2902 0.0000 0.0000 63.4880 31.5709 176.6514 160 D 4.7679 8.3665 121.0642 55.7847 41.0645 175.3798 161 A 5.1346 8.0820 120.0080 52.3973 23.8140 175.3288 162 I 5.1350 7.9323 111.5461 59.3943 40.8483 173.9818 163 F 5.4984 8.2201 128.6932 56.4032 41.6066 174.2914 164 V 4.6484 6.5970 121.2273 64.1064 34.6723 173.5864 165 V 3.6951 8.7327 121.0191 62.6402 31.9047 177.7362 166 D 4.4579 9.2423 135.0000 53.2163 41.6542 173.8702 167 P 4.1673 0.0000 0.0000 65.9954 31.1498 178.3891 168 T 3.8970 7.7634 108.2911 63.9012 68.9851 176.3955 169 K 4.0105 7.7026 121.9468 58.7125 33.4790 178.6054 170 E 4.5047 7.8835 118.5204 55.5059 28.5903 177.6859 171 A 4.1518 7.5519 124.3719 54.5817 18.8832 178.9736 172 I 3.5759 7.7527 117.7024 64.7381 37.1559 177.8935 173 A 2.6454 6.9647 120.2549 54.8713 17.9639 179.3496 174 V 3.3260 7.0978 116.0723 66.2892 31.3017 178.3108 175 R 3.7703 8.1068 118.4303 59.3629 29.7804 177.9821 176 E 3.9593 7.9156 116.7364 59.6209 29.8436 179.0151 177 A 4.1363 8.0878 120.3499 55.3184 17.9851 179.4780 178 R 3.7372 8.0339 117.2205 59.5475 29.8631 178.3514 179 K 3.9131 8.2730 118.0423 57.9395 31.7319 177.6946 180 L 4.4408 7.6515 118.2292 53.5323 41.6742 176.3474 181 F 3.9471 7.1107 115.0343 58.6958 36.9743 174.8624 182 I 4.4940 7.0160 117.5002 59.1109 38.5563 174.5296 183 P 4.5000 0.0000 0.0000 63.3969 32.7186 175.2698 184 V 4.7404 8.8652 123.5919 61.1860 33.9757 174.0096 185 I 5.6247 8.8506 122.2029 58.9626 40.1241 174.5369 186 A 3.9568 8.0082 123.8457 51.5159 22.5543 175.0578 187 L 5.1487 8.9235 122.6667 53.0132 41.8839 174.7831 188 A 4.6342 8.1267 126.7483 49.9958 21.4061 176.2181 189 D 4.9937 8.0597 122.7853 52.9015 41.4666 176.5511 190 T 3.7316 8.3433 106.0569 64.8572 69.2645 175.7697 191 D 4.7489 7.8984 119.7273 53.8660 40.7272 175.4333 192 S 4.4704 7.7986 112.4689 56.4448 67.0669 173.4483 193 D 4.7541 8.3796 124.2476 50.9411 41.0942 173.5031 194 P 4.0490 0.0000 0.0000 64.7615 30.6190 180.7619 195 D 3.9136 8.3728 114.6445 56.1037 42.7004 177.3778 196 L 4.3883 7.7351 119.6856 55.9284 40.9235 176.6199 197 V 4.2508 7.2562 118.9734 61.9529 33.7965 174.4788 198 D 4.1329 8.7857 127.5015 57.0649 41.0200 176.0930 199 Y 4.7331 8.1879 117.3724 56.1954 40.7557 174.3320 200 I 4.6938 8.5431 125.1021 59.6702 39.8964 176.0886 201 I 4.4459 9.1597 129.7656 58.6313 37.5057 171.5431 202 P 5.5886 0.0000 0.0000 60.8366 32.0274 176.8026 203 G 4.2117 9.1113 113.2194 44.1923 0.0000 170.5043 204 N 4.1258 8.1618 118.2505 53.8165 39.4177 173.8710 205 D 4.7964 7.9253 119.1966 53.2987 41.1087 174.8096 206 D 4.5478 7.9060 117.2586 56.1421 43.5344 176.1830 207 A 4.0520 7.8011 122.3997 52.1310 18.6163 178.2050 208 I 3.8727 8.4996 124.3059 63.8771 37.1380 178.0759 209 R 4.0021 7.9176 119.9745 59.4274 29.8671 178.5786 210 S 4.3955 7.9321 112.4513 60.9920 62.5398 176.2437 211 I 3.9241 7.7292 122.1957 63.9330 36.9707 177.4330 212 Q 4.0767 7.8710 120.4689 58.4375 28.7372 177.5405 213 L 3.9877 8.0492 121.4281 57.5450 42.0244 178.5212 214 I 4.1609 7.6658 119.0162 63.2639 37.6025 178.1063 215 L 4.2153 7.8589 119.8933 58.2819 41.4433 178.6087 216 S 4.7714 8.2935 114.2488 61.3343 62.1105 176.2357 217 R 4.0331 8.0773 120.5468 58.3719 29.8177 179.1671 218 A 4.3027 7.8622 121.0878 55.4180 18.1973 179.8303 219 V 3.6363 8.2212 116.4326 65.4957 31.3490 177.7665 220 D 4.3692 8.4295 118.3280 56.6112 40.6306 177.4532 221 L 4.2221 7.6149 119.7108 56.2643 41.9958 178.5728 222 I 3.5805 7.1479 119.4363 64.7711 37.3956 177.6776 223 I 4.1082 7.4194 118.0012 61.8913 37.0309 175.9773 224 Q 4.7229 7.3651 120.1209 55.4881 30.3619 175.9033 225 A 4.5859 7.6974 118.5569 49.9668 19.3460 177.3207 226 R 4.5039 8.3002 119.5020 57.1829 36.4049 174.4285 227 G 3.8820 7.3559 107.9262 45.2618 0.0000 171.8438 228 G 3.2031 8.8235 118.0625 44.9030 0.0000 172.4084 229 V 3.4700 7.6705 121.8645 63.2527 31.1029 174.8171 230 V 4.5890 7.8877 122.0350 59.2508 34.5266 175.2492 231 E 4.3436 8.3696 118.2117 54.9977 30.6743 173.9539 232 P 4.3476 0.0000 0.0000 62.9839 31.8023 175.8493 233 S 4.6837 8.0966 114.1782 55.3842 65.0417 172.0033 234 P 4.2408 0.0000 0.0000 63.8462 30.9098 174.9025 235 S 4.3525 8.6212 115.5545 59.7279 65.5156 173.7762 236 Y 4.3476 8.0090 118.7360 56.6980 38.1333 174.6578 237 A 4.8057 8.5181 124.6152 53.2562 24.8855 177.3819 238 L 4.4462 7.6627 112.3171 56.9042 41.7880 176.8566 239 V 3.7812 7.6453 119.5920 63.5675 28.1252 173.4105 240 Q 3.6888 7.3665 128.4292 56.8722 29.3511 173.4048 *241 E 4.1630 7.8231 118.7551 56.1431 30.4602 177.8049 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 7 V 7.91 4.05 2.05 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 0.94 0.00 0.00 0.91 0.00 0.00 8 K 8.13 3.73 0.00 1.88 2.11 0.00 1.76 0.00 0.00 1.79 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.50 1.52 7.81 9 E 8.76 3.97 0.00 1.94 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 2.39 2.24 0.00 10 L 7.68 3.96 0.00 1.59 1.70 0.90 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.78 4.00 0.00 1.74 1.57 0.91 1.25 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 12 E 8.66 3.81 0.00 1.99 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 2.36 2.43 0.00 13 A 8.10 3.37 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 14 G 7.47 3.85 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 0.00 0.00 0.00 15 V 7.40 4.63 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 0.69 0.00 0.00 0.87 0.00 0.00 16 H 8.72 4.88 0.00 3.18 3.32 0.00 5.79 0.00 0.00 0.00 0.00 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 F 8.41 4.99 0.00 3.14 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 18 G 8.77 3.60 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 0.00 0.00 0.00 19 H 8.19 4.99 0.00 3.10 2.45 0.00 5.99 0.00 0.00 0.00 0.00 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 E 9.02 4.04 0.00 1.90 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 2.09 2.38 0.00 21 R 8.24 4.57 0.00 2.00 1.95 0.00 3.06 0.00 0.00 3.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 22 K 8.93 3.70 0.00 1.84 1.87 0.00 1.57 0.00 0.00 1.53 0.00 0.00 2.49 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.25 1.27 7.81 23 R 7.73 4.81 0.00 1.76 1.86 0.00 3.27 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 24 W 8.46 4.67 0.00 3.52 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 25 N 8.63 4.03 0.00 2.53 2.67 0.00 0.00 6.67 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 26 P 0.00 2.97 0.00 1.86 1.57 0.00 3.05 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.56 0.00 27 K 7.37 3.69 0.00 1.74 1.88 0.00 1.63 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.37 1.39 7.81 28 F 8.45 4.48 0.00 3.01 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 29 A 7.84 4.39 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 30 R 7.65 3.78 0.00 1.59 1.82 0.00 2.46 0.00 0.00 2.87 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.50 0.00 31 Y 6.54 4.93 0.00 1.73 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 32 I 7.23 4.59 2.01 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 1.47 0.54 1.01 0.00 0.00 33 Y 8.53 4.32 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 34 A 7.15 4.38 1.28 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 0.00 0.00 0.00 35 E 8.31 5.82 0.00 1.63 1.67 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 2.04 2.25 0.00 36 R 7.88 3.98 0.00 1.94 1.83 0.00 3.43 0.00 0.00 3.33 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.69 0.00 37 N 10.11 3.88 0.00 2.77 2.80 0.00 0.00 7.43 7.98 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 38 G 8.47 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 0.00 0.00 0.00 39 I 7.49 3.72 1.90 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.59 0.90 0.00 0.00 40 H 8.37 4.85 0.00 3.56 3.30 0.00 5.79 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 I 8.36 4.19 1.86 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 0.88 0.19 0.77 0.00 0.00 42 I 8.31 4.22 2.08 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.05 1.07 0.00 0.00 43 D 8.86 4.63 0.00 3.06 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 44 L 8.71 4.09 0.00 1.78 1.73 1.22 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 8.25 3.95 0.00 2.12 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.92 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 46 K 8.06 4.18 0.00 2.15 1.94 0.00 1.82 0.00 0.00 2.08 0.00 0.00 3.33 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.45 1.53 7.81 47 T 8.18 3.83 4.45 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 1.26 0.00 0.00 48 M 8.01 4.35 0.00 2.26 2.08 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.68 0.00 49 E 7.67 3.89 0.00 2.08 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 0.00 2.38 2.54 0.00 50 E 7.67 4.45 0.00 2.14 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 2.14 2.10 0.00 51 L 8.74 4.00 0.00 1.96 2.02 1.05 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 52 E 9.52 4.00 0.00 2.10 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 0.00 2.38 2.40 0.00 53 R 8.29 3.86 0.00 1.98 2.03 0.00 3.33 0.00 0.00 3.44 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.88 0.00 54 T 7.77 3.76 4.15 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 1.16 0.00 0.00 55 F 8.26 4.20 0.00 3.30 3.02 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 56 R 8.67 3.90 0.00 1.95 2.08 0.00 3.31 0.00 0.00 3.13 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.88 0.00 57 F 7.73 4.11 0.00 2.40 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 0.00 58 I 7.85 3.51 2.06 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 1.45 0.55 0.89 0.00 0.00 59 E 8.79 3.86 0.00 2.00 2.05 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 2.28 2.30 0.00 60 D 7.35 4.46 0.00 2.74 2.54 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 61 L 7.02 4.30 0.00 1.39 1.45 0.81 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.34 3.93 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 M 8.02 4.59 0.00 2.11 2.14 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 2.55 2.59 0.00 64 R 7.66 4.44 0.00 1.87 1.95 0.00 3.13 0.00 0.00 3.19 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.50 0.00 65 G 7.88 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.56 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 67 T 8.36 4.44 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 1.24 0.00 0.00 68 I 8.30 4.93 2.03 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.56 0.45 0.00 0.00 69 L 8.50 4.76 0.00 1.80 1.67 1.23 1.69 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 70 F 9.31 5.23 0.00 3.29 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 71 V 8.82 5.02 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 0.95 0.00 0.00 1.06 0.00 0.00 72 G 9.15 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 0.00 0.00 0.00 0.00 73 T 8.91 4.88 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 74 K 7.62 4.45 0.00 1.96 1.97 0.00 1.51 0.00 0.00 1.73 0.00 0.00 2.86 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.43 1.41 7.81 75 K 8.92 3.83 0.00 1.79 1.88 0.00 1.76 0.00 0.00 1.83 0.00 0.00 2.90 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.54 1.45 7.81 76 Q 8.15 4.15 0.00 2.08 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.28 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 77 A 8.05 4.72 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 78 Q 7.53 4.24 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.42 6.62 0.00 0.00 0.00 0.00 0.00 2.58 2.58 0.00 79 D 8.29 4.41 0.00 2.68 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 80 I 7.73 3.96 1.84 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 0.87 0.00 0.00 81 V 8.09 4.18 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 1.16 0.00 0.00 1.05 0.00 0.00 82 R 7.95 2.91 0.00 1.80 1.88 0.00 3.20 0.00 0.00 3.18 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.56 0.00 83 M 7.87 4.19 0.00 1.99 1.88 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.63 0.00 84 E 8.00 3.99 0.00 1.77 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 2.33 2.30 0.00 85 A 7.02 3.81 1.10 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 86 E 7.45 3.99 0.00 2.11 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 2.41 2.33 0.00 87 R 8.15 4.42 0.00 1.76 1.82 0.00 3.41 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 88 A 7.93 4.40 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 89 G 7.72 4.06 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 0.00 0.00 0.00 90 M 8.23 4.92 0.00 2.37 2.00 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.87 0.00 91 P 0.00 4.82 0.00 2.21 2.09 0.00 3.75 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.12 0.00 92 Y 7.94 5.62 0.00 3.18 3.04 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 93 V 9.29 4.39 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 1.18 0.00 0.00 1.16 0.00 0.00 94 N 9.20 5.13 0.00 3.04 3.06 0.00 0.00 7.31 7.08 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 95 Q 7.79 4.63 0.00 2.37 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.91 0.00 0.00 0.00 0.00 0.00 2.46 2.60 0.00 96 R 8.59 4.13 0.00 1.49 1.75 0.00 3.32 0.00 0.00 3.24 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 97 W 8.57 4.20 0.00 3.20 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 98 L 7.54 3.79 0.00 1.18 1.27 0.67 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 99 G 8.03 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 0.00 0.00 0.00 100 G 10.43 3.87 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 0.00 0.00 0.00 101 M 6.86 3.78 0.00 1.56 1.25 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.84 0.00 102 L 7.61 4.24 0.00 1.92 1.75 1.29 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 103 T 8.57 4.00 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 1.23 0.00 0.00 104 N 8.12 4.88 0.00 2.77 2.84 0.00 0.00 6.80 7.99 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 0.00 105 F 8.10 4.94 0.00 3.39 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 0.00 106 K 8.21 3.93 0.00 1.76 1.81 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.41 7.81 107 T 8.05 4.62 4.30 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 1.24 0.00 0.00 108 I 7.40 3.88 1.99 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.79 0.91 0.00 0.00 109 S 7.77 4.08 0.00 3.44 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 0.00 110 Q 8.40 4.05 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.70 0.00 0.00 0.00 0.00 0.00 2.28 2.44 0.00 111 R 7.82 4.06 0.00 1.93 2.00 0.00 3.33 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.76 0.00 112 V 7.48 3.82 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 1.12 0.00 0.00 1.05 0.00 0.00 113 H 8.37 4.29 0.00 3.31 3.34 0.00 5.85 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 R 7.49 3.96 0.00 1.82 2.01 0.00 3.45 0.00 0.00 3.10 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 115 L 7.99 4.03 0.00 1.79 1.79 0.91 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 116 E 8.06 4.07 0.00 2.20 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 0.00 2.46 2.34 0.00 117 E 7.63 3.97 0.00 1.92 2.05 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 2.49 2.51 0.00 118 L 7.57 3.99 0.00 1.92 1.73 1.05 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 119 E 8.26 3.88 0.00 2.10 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 2.31 2.37 0.00 120 A 7.65 4.50 1.37 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 0.00 0.00 121 L 7.08 4.38 0.00 1.79 1.72 1.03 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 122 F 7.89 4.53 0.00 3.14 3.34 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.71 4.12 1.28 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 0.00 0.00 0.00 124 S 7.47 4.50 0.00 3.77 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 0.00 125 P 0.00 4.61 0.00 2.24 2.23 0.00 3.72 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 2.04 1.96 0.00 126 E 7.68 3.89 0.00 1.88 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 2.30 2.26 0.00 127 I 7.56 3.89 1.81 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.65 0.88 0.00 0.00 128 E 7.44 4.08 0.00 1.76 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 2.32 2.35 0.00 129 E 7.44 4.43 0.00 1.97 1.52 0.00 0.00 0.00 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 2.24 0.00 130 R 8.89 3.56 0.00 1.92 1.96 0.00 3.39 0.00 0.00 3.28 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.56 0.00 131 P 0.00 4.40 0.00 2.21 2.20 0.00 3.71 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 2.08 1.97 0.00 132 K 8.58 4.09 0.00 1.84 1.86 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.51 1.54 7.81 133 K 8.08 4.11 0.00 1.81 1.84 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.47 7.81 134 E 8.49 4.46 0.00 1.92 1.97 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 2.25 2.47 0.00 135 Q 7.69 4.03 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.90 0.00 0.00 0.00 0.00 0.00 2.43 2.66 0.00 136 V 7.52 3.66 2.08 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 1.00 0.00 0.00 1.00 0.00 0.00 137 R 7.55 3.99 0.00 2.12 1.92 0.00 3.36 0.00 0.00 3.19 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 138 L 8.44 4.20 0.00 1.76 1.76 0.98 1.13 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 0.00 139 K 8.10 4.08 0.00 2.10 1.89 0.00 1.76 0.00 0.00 1.64 0.00 0.00 3.14 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.54 1.65 7.81 140 H 8.23 4.03 0.00 3.51 3.33 0.00 5.80 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 E 8.80 3.92 0.00 2.04 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 2.32 2.35 0.00 142 L 7.66 3.94 0.00 1.84 1.83 0.84 0.81 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 0.00 143 E 8.56 3.85 0.00 2.00 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 2.52 2.49 0.00 144 R 8.24 3.57 0.00 1.82 2.00 0.00 2.82 0.00 0.00 3.12 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 145 L 7.70 3.87 0.00 1.91 1.75 0.99 0.46 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 0.00 146 Q 8.46 3.92 0.00 2.05 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.65 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 147 K 7.66 3.80 0.00 1.59 1.25 0.00 1.55 0.00 0.00 1.06 0.00 0.00 2.93 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.87 1.26 7.81 148 Y 7.43 4.68 0.00 3.00 2.86 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 0.00 149 L 7.48 4.84 0.00 1.79 1.72 1.01 1.28 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 0.00 150 S 8.35 4.02 0.00 3.91 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 0.00 151 G 7.26 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 0.00 0.00 0.00 152 F 7.76 4.82 0.00 2.96 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 0.00 153 R 7.54 4.32 0.00 1.71 1.80 0.00 3.42 0.00 0.00 3.19 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.69 0.00 154 L 6.75 2.72 0.00 1.66 1.54 1.01 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 155 L 8.20 4.28 0.00 1.62 1.61 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 156 K 8.41 4.58 0.00 1.82 1.89 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.43 7.81 157 R 6.93 4.41 0.00 1.74 1.73 0.00 3.25 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.59 0.00 158 L 8.35 3.83 0.00 1.60 1.54 0.88 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 159 P 0.00 4.29 0.00 2.29 2.14 0.00 3.54 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 2.20 2.17 0.00 160 D 8.37 4.77 0.00 2.62 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 0.00 161 A 8.08 5.13 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.93 5.14 1.90 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 1.21 2.28 0.96 0.00 0.00 163 F 8.22 5.50 0.00 2.31 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 V 6.60 4.65 1.87 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 0.94 0.00 0.00 0.86 0.00 0.00 165 V 8.73 3.70 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 0.70 0.00 0.00 0.98 0.00 0.00 166 D 9.24 4.46 0.00 2.78 2.50 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 0.00 167 P 0.00 4.17 0.00 2.18 2.15 0.00 3.61 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.89 0.00 168 T 7.76 3.90 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 0.00 169 K 7.70 4.01 0.00 1.71 1.87 0.00 1.77 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.60 7.81 170 E 7.88 4.50 0.00 1.86 1.48 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 2.09 2.25 0.00 171 A 7.55 4.15 1.29 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 0.00 0.00 0.00 172 I 7.75 3.58 1.99 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.69 1.15 0.00 0.00 173 A 6.96 2.65 -0.31 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 0.00 174 V 7.10 3.33 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 0.87 0.00 0.00 0.83 0.00 0.00 175 R 8.11 3.77 0.00 1.83 2.11 0.00 3.17 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 176 E 7.92 3.96 0.00 2.31 2.19 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 2.54 2.95 0.00 177 A 8.09 4.14 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 0.00 178 R 8.03 3.74 0.00 2.14 1.94 0.00 3.08 0.00 0.00 3.03 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 179 K 8.27 3.91 0.00 1.66 1.87 0.00 1.80 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.35 7.81 180 L 7.65 4.44 0.00 1.83 1.67 0.96 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 181 F 7.11 3.95 0.00 3.30 3.05 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 0.00 182 I 7.02 4.49 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.75 1.06 0.00 0.00 183 P 0.00 4.50 0.00 2.40 2.13 0.00 3.85 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.30 0.00 184 V 8.87 4.74 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 0.99 0.00 0.00 0.88 0.00 0.00 185 I 8.85 5.62 2.38 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.70 1.22 0.00 0.00 186 A 8.01 3.96 0.98 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 0.00 187 L 8.92 5.15 0.00 1.45 1.40 0.98 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 188 A 8.13 4.63 1.10 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 0.00 189 D 8.06 4.99 0.00 2.80 2.83 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 0.00 190 T 8.34 3.73 4.41 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 0.00 0.00 0.00 1.56 0.00 0.00 191 D 7.90 4.75 0.00 2.68 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 0.00 192 S 7.80 4.47 0.00 3.60 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 0.00 193 D 8.38 4.75 0.00 2.73 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 0.00 194 P 0.00 4.05 0.00 2.39 2.55 0.00 3.80 0.00 0.00 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.22 0.00 195 D 8.37 3.91 0.00 2.85 3.01 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 0.00 196 L 7.74 4.39 0.00 1.66 1.70 0.88 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 197 V 7.26 4.25 2.05 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 0.80 0.00 0.00 0.91 0.00 0.00 198 D 8.79 4.13 0.00 2.37 1.74 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 0.00 199 Y 8.19 4.73 0.00 2.88 2.76 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 0.00 200 I 8.54 4.69 1.82 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.57 0.97 0.00 0.00 201 I 9.16 4.45 2.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.43 0.98 0.00 0.00 202 P 0.00 5.59 0.00 2.12 2.02 0.00 3.48 0.00 0.00 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.51 0.00 203 G 9.11 4.21 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 0.00 204 N 8.16 4.13 0.00 2.69 2.78 0.00 0.00 6.68 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 0.00 205 D 7.93 4.80 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 0.00 206 D 7.91 4.55 0.00 2.67 2.83 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 0.00 207 A 7.80 4.05 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 0.00 208 I 8.50 3.87 1.84 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.63 0.87 0.00 0.00 209 R 7.92 4.00 0.00 1.86 1.86 0.00 3.28 0.00 0.00 3.10 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 210 S 7.93 4.40 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 0.00 211 I 7.73 3.92 1.88 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.42 0.94 0.00 0.00 212 Q 7.87 4.08 0.00 2.13 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.81 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 213 L 8.05 3.99 0.00 1.86 1.65 0.48 1.00 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 0.00 214 I 7.67 4.16 2.06 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 1.85 1.47 1.12 0.00 0.00 215 L 7.86 4.22 0.00 2.06 1.76 1.11 1.52 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 0.00 216 S 8.29 4.77 0.00 4.01 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 217 R 8.08 4.03 0.00 1.83 1.87 0.00 3.28 0.00 0.00 3.14 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.80 0.00 218 A 7.86 4.30 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 0.00 219 V 8.22 3.64 2.36 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 0.96 0.00 0.00 0.85 0.00 0.00 220 D 8.43 4.37 0.00 2.65 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 0.00 221 L 7.61 4.22 0.00 1.73 1.71 0.90 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 222 I 7.15 3.58 2.02 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 1.56 0.94 0.91 0.00 0.00 223 I 7.42 4.11 1.85 0.00 0.00 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 1.39 1.50 0.89 0.00 0.00 224 Q 7.37 4.72 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.36 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 225 A 7.70 4.59 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 0.00 226 R 8.30 4.50 0.00 1.73 1.87 0.00 3.23 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 227 G 7.36 3.88 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 0.00 0.00 0.00 228 G 8.82 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 0.00 0.00 0.00 229 V 7.67 3.47 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 0.80 0.00 0.00 0.91 0.00 0.00 230 V 7.89 4.59 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 0.85 0.00 0.00 0.92 0.00 0.00 231 E 8.37 4.34 0.00 2.07 1.95 0.00 0.00 0.00 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 2.33 0.00 232 P 0.00 4.35 0.00 2.11 2.09 0.00 3.67 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 2.07 2.11 0.00 233 S 8.10 4.68 0.00 3.93 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 0.00 234 P 0.00 4.24 0.00 2.18 2.16 0.00 3.69 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 1.97 1.98 0.00 235 S 8.62 4.35 0.00 3.56 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 0.00 236 Y 8.01 4.35 0.00 2.94 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.52 4.81 1.26 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 0.00 238 L 7.66 4.45 0.00 1.74 1.71 0.93 0.60 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 0.00 239 V 7.65 3.78 2.15 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 0.71 0.00 0.00 0.81 0.00 0.00 240 Q 7.37 3.69 0.00 2.26 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.42 0.00 0.00 0.00 0.00 0.00 2.23 2.35 0.00 *241 E 7.82 4.16 0.00 1.77 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 0.00 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.