NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 V 3.9871 8.0549 120.3871 62.4672 32.9599 175.5607 8 K 3.8113 7.9080 119.5793 55.5324 32.4654 178.3665 9 E 3.7272 7.1527 114.1387 59.1612 32.6808 178.8666 10 L 3.8896 7.7673 121.8437 58.1233 42.4946 178.8336 11 L 4.0693 7.8635 117.9083 58.3578 41.5918 179.0981 12 E 3.8703 8.3165 117.8954 59.5247 28.8152 178.9638 13 A 4.1482 7.6792 118.5549 52.2706 19.1304 179.6118 14 G 3.6847 8.1043 110.7736 47.0930 0.0000 174.0412 15 V 4.6564 5.5312 122.8386 61.5919 34.9576 171.3186 16 H 5.0482 7.1703 114.6284 53.5790 30.1547 174.9273 17 F 4.7791 8.5827 112.5336 56.8559 40.7793 174.7105 18 G 4.4499 9.3903 113.7874 44.0459 0.0000 171.7026 19 H 5.0230 8.2913 126.7257 55.5093 31.8524 171.4011 20 E 3.7279 7.8508 116.6722 55.6196 30.2969 176.5749 21 R 4.0773 7.9421 117.9284 55.1192 31.6890 175.4930 22 K 3.9453 8.1496 122.2281 56.9791 29.5409 176.7304 23 R 4.7070 7.9828 111.3496 56.9713 33.1663 176.8502 24 W 4.5611 8.5731 119.7519 56.4417 29.0900 176.2990 25 N 4.1940 8.8354 118.2653 52.0670 39.3108 173.8862 26 P 3.0788 0.0000 0.0000 64.4042 31.1497 177.3807 27 K 4.0149 7.9170 117.6703 58.1685 31.9637 177.2352 28 F 4.3289 8.6927 121.0258 57.7008 39.1093 177.0767 29 A 4.4272 7.9953 123.1457 54.2019 18.4342 179.6978 30 R 4.1187 7.6075 111.8890 58.7869 30.0538 176.6427 31 Y 4.7278 6.9611 114.4239 57.8002 37.9897 174.5352 32 I 4.7863 7.6415 118.8227 59.4777 40.5968 174.0708 33 Y 4.5161 8.7227 125.2987 58.7904 41.0329 175.0246 34 A 4.3236 7.1119 119.2445 52.1880 21.7775 174.9353 35 E 4.7129 7.9569 112.4027 54.8483 31.3824 175.8990 36 R 3.6672 7.5304 115.3228 56.7098 30.6661 175.5577 37 N 3.9837 9.5274 119.9626 54.3823 35.3154 173.6692 38 G 3.8290 6.8648 107.5919 45.1992 0.0000 174.1231 39 I 3.5101 7.1792 118.0213 60.6896 38.6190 174.8169 40 H 4.8117 8.2646 120.0359 54.7488 29.9621 175.0430 41 I 3.6821 8.3413 126.0505 60.9921 37.5945 175.3940 42 I 4.4531 8.1554 128.5220 60.3036 38.8455 174.5680 43 D 4.3006 8.6238 129.3737 54.8451 41.1182 175.9253 44 L 4.1165 8.8337 126.9774 58.1355 41.5387 178.9331 45 Q 3.7690 7.6637 117.4816 59.7825 28.4793 178.2724 46 K 3.6812 9.5374 120.6653 60.2032 32.2552 179.0124 47 T 3.7981 7.7858 115.5872 66.6259 68.2692 175.7959 48 M 4.0262 8.5935 119.3144 58.9159 30.6953 178.3905 49 E 4.5642 7.9402 120.1385 56.6934 29.6260 178.9031 50 E 3.9785 7.7033 119.9756 59.4183 29.8596 178.9787 51 L 4.0983 8.1823 118.8843 58.0135 41.5085 178.1574 52 E 3.9879 8.5491 119.3414 59.8973 29.1673 178.6756 53 R 4.0373 8.0410 120.4888 60.2157 30.5442 178.4431 54 T 3.8786 7.8701 115.6517 66.3684 68.3217 176.2249 55 F 4.0847 8.9011 120.5984 60.3261 39.1598 178.1412 56 R 3.9674 7.8471 118.2467 59.4525 29.7327 178.7138 57 F 4.1002 8.1895 119.0021 61.2659 39.5058 176.7370 58 I 3.7001 7.5567 119.8218 63.5142 36.9541 177.3306 59 E 4.0474 9.1181 120.0736 59.4365 30.1147 179.2325 60 D 4.5404 7.7191 116.7632 53.0942 40.4390 175.1452 61 L 4.4127 7.2210 121.3072 56.3452 49.6525 176.6318 62 A 3.9158 8.2132 122.1502 55.2031 18.3583 178.9673 63 M 5.0461 8.1372 110.9236 56.1836 31.5779 177.0338 64 R 4.3974 7.9956 114.5633 55.8469 30.0313 176.4879 65 G 3.8164 8.0674 106.0335 44.7961 0.0000 173.3150 66 G 3.8758 8.2403 107.7979 46.5910 0.0000 173.6329 67 T 4.2996 8.5831 117.4203 61.4173 70.1642 173.5077 68 I 4.7182 8.3740 123.4284 59.5057 41.5016 174.8864 69 L 5.7066 8.3515 124.9192 52.5227 44.4944 175.3877 70 F 5.1016 9.3587 125.8071 57.2197 40.9314 175.0219 71 V 4.6815 8.9083 122.6099 61.3738 34.1999 174.9485 72 G 4.6127 9.2753 114.7945 46.3502 0.0000 173.3254 73 T 4.5655 8.5180 117.7001 62.6393 69.6216 176.2407 74 K 4.2583 7.7754 122.0150 56.1497 33.6952 177.8534 75 K 3.9714 8.8036 121.6598 59.9750 32.4417 178.2823 76 Q 4.0247 8.3075 117.0700 58.6188 29.2457 177.1700 77 A 5.0417 7.4936 117.0832 50.7997 19.5249 174.1863 78 Q 4.1906 7.6915 123.9559 56.3149 30.2194 176.4525 79 D 4.4520 8.8424 118.7137 56.8756 40.0097 178.5517 80 I 3.5817 7.7857 119.0304 63.6559 37.7380 177.6217 81 V 3.7941 8.2852 119.4053 65.1432 31.3336 178.0060 82 R 3.0172 7.8650 119.0008 60.0547 29.9658 177.4577 83 M 3.9386 8.2669 116.4174 58.6626 31.6832 177.7042 84 E 3.9429 7.7947 120.5135 59.7969 30.2373 179.6727 85 A 3.5747 7.4052 120.6289 54.8696 18.6294 179.4834 86 E 4.0211 8.3831 117.5681 59.0769 29.9544 178.5144 87 R 4.3377 8.2780 119.6399 55.0097 29.3061 176.2806 88 A 5.0328 8.4281 128.5502 52.3140 20.6993 177.1471 89 G 4.0201 8.1899 105.2067 46.5460 0.0000 173.6243 90 M 4.6747 7.4499 118.2984 52.3573 34.3341 175.3516 91 P 4.6180 0.0000 0.0000 63.9466 32.8968 174.6153 92 Y 5.4502 8.5095 119.9911 56.7864 41.7629 173.8025 93 V 4.6263 9.6203 119.0327 61.8459 34.1355 175.0208 94 N 5.1105 9.4499 124.8617 52.9598 41.2035 174.2503 95 Q 4.9216 7.8165 117.4476 54.6897 30.4417 174.7891 96 R 3.9971 8.8845 121.3650 57.3680 30.5022 177.8190 97 W 4.3234 8.8303 135.0000 56.4790 28.6779 174.6797 98 L 3.4985 7.1278 121.2636 53.2650 42.5251 177.1259 99 G 3.4257 8.1379 111.5390 46.8924 0.0000 173.8145 100 G 3.9991 10.0634 114.7293 45.2682 0.0000 174.7213 101 M 3.8508 6.5730 118.2023 57.4196 32.4300 176.7039 102 L 4.7235 8.8206 116.9216 56.7432 44.4767 178.9125 103 T 3.9429 8.6518 113.1514 66.1554 68.6548 175.1608 104 N 5.0118 8.1836 119.8933 52.6382 39.7300 176.2224 105 F 4.4115 8.3874 120.1790 61.3898 39.2070 175.7650 106 K 3.5341 8.0850 116.8612 59.9887 31.9941 177.6133 107 T 4.3309 7.7281 114.3452 65.5338 68.6188 176.8434 108 I 3.8153 7.6448 121.3652 63.6500 37.0693 178.4067 109 S 4.2373 8.1755 117.0704 61.2220 62.4981 175.9125 110 Q 4.1896 7.4674 118.4862 57.6305 28.7933 177.7454 111 R 4.3564 7.5931 118.1886 57.7186 30.9503 178.6507 112 V 3.7832 7.8375 118.3519 66.0368 31.5978 177.6067 113 H 4.5271 8.1274 118.9800 58.2140 29.3710 176.2056 114 R 4.3978 7.4522 119.0791 56.4241 30.1959 177.4945 115 L 4.1507 7.7336 120.2254 58.1407 41.7989 177.7981 116 E 4.2070 8.0021 116.4263 58.3688 29.7529 178.5123 117 E 3.9684 7.9375 119.8243 59.0992 29.3731 178.4535 118 L 4.3923 7.3718 115.4082 56.0155 42.0617 178.3165 119 E 4.1102 7.8800 118.8671 59.0272 29.9575 178.1624 120 A 4.1543 7.9629 120.6717 54.9197 18.4311 179.1403 121 L 4.0324 7.6252 117.8366 57.5684 42.2036 178.5770 122 F 4.3370 7.9796 119.4240 60.5331 39.7901 176.2834 123 A 4.1220 7.6113 121.2913 51.9112 19.7302 176.1440 124 S 4.7713 7.4270 114.1146 56.6015 65.5357 172.4109 125 P 4.3139 0.0000 0.0000 63.8606 30.5645 177.2244 126 E 4.5202 7.8601 116.5700 56.8759 29.4135 177.1924 127 I 4.1398 7.4114 118.8417 61.5488 37.7266 176.3759 128 E 4.1766 7.8758 122.3303 58.3069 31.3691 177.4293 129 E 4.2844 8.0200 112.9403 55.5174 28.9002 178.2894 130 R 3.6972 9.3034 121.4259 56.7049 26.9696 172.7139 131 P 4.1953 0.0000 0.0000 62.7006 31.1808 177.9168 132 K 3.4472 8.8952 122.1686 59.1474 32.1335 177.9649 133 K 4.2485 8.0166 116.0587 58.2898 32.2967 177.0020 134 E 4.6244 8.8631 118.1445 56.5703 31.7113 177.6535 135 Q 4.2559 7.6432 115.3146 57.3809 28.8753 176.9567 136 V 4.3107 7.4789 115.9034 62.6497 33.8390 177.1160 137 R 4.0233 7.8160 119.4307 59.4439 30.0182 178.2684 138 L 4.2785 8.2123 120.1189 56.9236 41.3826 179.4532 139 K 3.9131 7.9094 118.5935 59.9577 32.1384 177.7049 140 H 4.1868 8.9782 119.0431 59.2916 29.1426 176.7589 141 E 3.9774 8.3098 121.1771 59.1474 29.1480 178.1344 142 L 4.2437 8.3022 118.5959 57.0628 41.8973 177.9229 143 E 4.2222 7.9221 118.4205 59.3470 29.3944 178.6774 144 R 3.7510 7.7028 116.1890 59.2426 29.7460 178.9376 145 L 4.0311 7.7908 119.4297 57.8564 41.5409 179.0502 146 Q 4.0535 7.4309 115.7747 57.5950 28.9849 177.4182 147 K 4.0008 7.2917 119.8041 59.7908 32.6587 177.6794 148 Y 4.5573 8.1986 114.6311 59.0595 38.3870 176.2506 149 L 4.7689 7.8554 119.1632 54.3345 41.8108 178.0484 150 S 3.9463 7.7971 112.9684 63.0388 63.1555 175.1687 151 G 2.3111 7.5768 107.9782 46.4295 0.0000 172.9533 152 F 4.8696 7.5282 120.5995 57.6760 39.2340 175.1420 153 R 4.5785 7.4333 119.2683 57.3184 34.1579 179.0106 154 L 4.3864 7.6693 115.7311 54.2909 40.9320 180.2962 155 L 3.7065 7.6332 133.8452 55.4520 39.3623 177.2062 156 K 4.6613 7.9793 128.6392 55.0717 32.2399 177.7399 157 R 4.4681 8.0113 113.3238 56.3047 32.9269 173.0569 158 L 3.2886 8.2216 124.3016 53.4444 41.5049 175.3843 159 P 4.3259 0.0000 0.0000 62.3609 31.8244 175.4646 160 D 4.7586 8.6122 116.2171 53.1430 40.6268 176.3083 161 A 4.7640 7.1369 121.7485 52.6198 22.4579 175.7397 162 I 5.2451 7.6041 111.1079 60.6037 41.1978 173.6459 163 F 5.8018 8.6895 129.1065 55.9662 41.1792 174.3636 164 V 4.5438 7.3676 124.5086 62.0805 35.1335 174.7338 165 V 3.6784 8.5523 121.7492 62.4223 31.9997 178.5695 166 D 4.4590 6.0500 135.0000 53.0601 40.0050 173.2121 167 P 3.9969 0.0000 0.0000 66.1292 31.5247 177.3695 168 T 3.8463 7.6607 111.3968 63.8408 68.7511 175.3915 169 K 3.8696 7.8351 121.6124 59.1126 32.6445 177.7171 170 E 4.4283 8.2176 117.4449 56.3122 30.1160 178.1294 171 A 4.0765 7.6904 121.9808 53.9670 18.9594 180.3353 172 I 3.7549 7.5643 115.6711 63.6491 37.4362 177.6779 173 A 2.5800 7.3157 122.9922 53.9023 18.2740 179.9235 174 V 3.2801 6.9752 115.1842 66.5959 31.9400 177.2502 175 R 3.9237 8.1802 118.4096 57.7788 29.4340 178.1653 176 E 3.9672 8.0912 120.3312 60.3118 30.4828 178.7544 177 A 3.9729 8.5147 120.8141 53.6665 17.9058 179.4082 178 R 3.7428 7.8904 119.6246 58.5839 31.2199 178.6275 179 K 3.9013 8.3663 119.8158 59.3994 32.0544 178.3961 180 L 4.3130 7.6360 115.4731 53.6539 42.6653 177.0043 181 F 3.9497 7.3285 118.5574 58.1365 35.9982 173.2897 182 I 4.6199 7.5651 119.6115 58.4732 40.6016 173.4756 183 P 4.4813 0.0000 0.0000 63.5375 32.5190 175.3774 184 V 4.4331 9.7798 125.5272 61.6132 32.7185 173.9854 185 I 5.5735 8.4894 129.0470 58.8385 39.6920 174.9166 186 A 4.1724 8.2283 126.0871 50.8521 22.6101 175.1889 187 L 5.0207 8.6359 123.0533 53.8309 41.3644 175.8613 188 A 4.7723 7.8253 128.2752 50.9263 22.7849 173.7164 189 D 3.9788 7.8843 113.6740 53.7463 42.3006 175.6653 190 T 3.1654 8.3649 108.3402 65.4921 68.5321 174.3419 191 D 4.3887 8.0836 120.4577 56.4031 41.2556 176.4256 192 S 4.7266 7.3735 113.4402 56.7404 65.1812 172.2772 193 D 4.8895 8.2630 119.9872 51.3035 41.4939 173.1378 194 P 4.3719 0.0000 0.0000 66.9603 30.9287 179.5932 195 D 3.6342 6.7538 110.7604 54.4237 42.2214 175.9706 196 L 4.2992 7.9074 122.6731 56.5493 41.4697 177.8068 197 V 4.3033 7.6647 119.2308 62.0821 33.6609 174.4186 198 D 4.2243 8.9779 127.4834 57.0891 41.4016 176.5264 199 Y 4.5221 8.3340 118.7172 56.3443 41.1309 174.3281 200 I 4.7816 8.4574 125.1905 59.9743 39.4260 176.5638 201 I 4.5186 8.3368 127.9310 58.3403 37.3949 171.0856 202 P 5.0196 0.0000 0.0000 63.2052 31.7482 176.5039 203 G 4.1576 9.0610 112.7568 45.4225 0.0000 170.9909 204 N 4.2626 9.2183 121.8763 53.5495 38.4647 174.2299 205 D 4.7257 8.1730 129.1336 53.9640 39.4486 176.4112 206 D 5.3257 7.4089 115.6283 54.6639 44.8574 176.6395 207 A 3.9577 7.8718 117.3872 53.0782 19.8721 178.4108 208 I 3.8348 8.5808 125.2666 64.0931 37.0799 178.5427 209 R 3.8435 7.8596 119.1732 59.2033 29.9688 178.3175 210 S 4.2549 8.1285 112.1862 61.7093 62.3338 176.4458 211 I 3.6875 7.6375 121.7540 64.3339 36.8473 177.9359 212 Q 3.8965 8.2673 120.7458 59.1833 28.9374 177.9400 213 L 3.8874 8.0863 121.4016 58.6510 41.8518 179.2153 214 I 3.9877 7.4108 117.5690 64.2295 37.3038 178.1551 215 L 4.4943 8.7653 120.4016 57.8111 41.4523 179.1648 216 S 4.9630 8.5432 115.2176 60.7598 62.3139 175.9428 217 R 4.8185 8.0935 119.4147 57.0766 30.1240 177.7379 218 A 4.8485 8.0746 121.4547 54.4119 19.9642 179.6053 219 V 3.8069 7.6203 115.5996 65.2404 31.3900 177.9153 220 D 4.3070 7.7366 117.5847 57.5763 40.7364 177.8986 221 L 4.0987 7.8077 116.4966 56.6254 42.2833 177.6335 222 I 4.1829 7.4410 118.6145 64.1164 38.0739 177.7148 223 I 3.8098 7.6285 112.6252 63.4291 37.8050 177.1261 224 Q 4.1375 8.4890 120.5194 56.5531 28.8773 175.5618 225 A 4.7183 7.9892 118.2779 52.4583 19.7446 177.6825 226 R 4.4711 8.1828 113.8071 54.8772 32.2621 176.5509 227 G 3.8610 8.2822 106.1389 46.9576 0.0000 174.5458 228 G 4.1326 8.6051 113.2803 46.4901 0.0000 174.5089 229 V 3.9091 7.3179 124.1131 62.9181 29.5399 175.5601 230 V 3.8379 7.3806 115.2447 61.2791 32.2008 175.5581 231 E 4.5480 8.2613 117.8046 54.3118 31.3095 173.8269 232 P 4.2749 0.0000 0.0000 63.1678 31.8847 176.3494 233 S 4.4171 8.3282 115.6845 56.4580 63.2381 171.9522 234 P 4.3465 0.0000 0.0000 63.4930 29.3309 175.3964 235 S 4.3381 7.8375 119.2727 58.7371 64.5306 171.5761 236 Y 4.1595 7.7701 123.5472 57.2744 39.7079 176.5293 237 A 4.6601 9.0173 135.0000 51.9757 17.1447 180.2460 238 L 4.2519 9.3006 121.9821 58.4683 40.8226 176.7060 239 V 3.2182 7.5502 118.4412 63.1378 29.7128 177.3387 240 Q 2.7842 8.2360 126.6770 58.2670 29.7285 174.8866 *241 E 4.1515 7.7941 118.7919 56.3355 30.4602 177.8670 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 8.05 3.99 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 0.95 0.00 0.00 0.90 0.00 0.00 8 K 7.91 3.81 0.00 1.87 1.82 0.00 1.67 0.00 0.00 1.75 0.00 0.00 2.86 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.42 7.81 9 E 7.15 3.73 0.00 2.00 1.88 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 2.35 2.26 0.00 10 L 7.77 3.89 0.00 1.58 1.69 0.91 0.91 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 11 L 7.86 4.07 0.00 1.74 1.69 0.96 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.32 3.87 0.00 2.08 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 2.30 2.50 0.00 13 A 7.68 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.10 3.68 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 0.00 0.00 0.00 15 V 5.53 4.66 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 0.63 0.00 0.00 0.73 0.00 0.00 16 H 7.17 5.05 0.00 3.14 3.25 0.00 5.93 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 F 8.58 4.78 0.00 3.12 2.89 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 0.00 0.00 0.00 18 G 9.39 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 0.00 0.00 0.00 0.00 19 H 8.29 5.02 0.00 3.10 3.00 0.00 5.73 0.00 0.00 0.00 0.00 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 E 7.85 3.73 0.00 1.91 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 1.67 2.07 0.00 21 R 7.94 4.08 0.00 1.75 1.65 0.00 3.12 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.51 0.00 22 K 8.15 3.95 0.00 1.86 1.94 0.00 1.85 0.00 0.00 1.79 0.00 0.00 2.88 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.37 1.33 7.81 23 R 7.98 4.71 0.00 1.76 1.87 0.00 3.19 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 24 W 8.57 4.56 0.00 3.61 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 25 N 8.84 4.19 0.00 2.61 2.78 0.00 0.00 6.65 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 3.08 0.00 1.84 1.34 0.00 3.22 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 27 K 7.92 4.01 0.00 1.95 1.94 0.00 1.61 0.00 0.00 2.12 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.38 1.25 7.81 28 F 8.69 4.33 0.00 2.98 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 29 A 8.00 4.43 1.51 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 0.00 0.00 30 R 7.61 4.12 0.00 1.94 1.97 0.00 2.87 0.00 0.00 3.03 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.50 0.00 31 Y 6.96 4.73 0.00 1.69 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 I 7.64 4.79 1.98 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 1.08 0.72 0.97 0.00 0.00 33 Y 8.72 4.52 0.00 2.92 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 34 A 7.11 4.32 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 35 E 7.96 4.71 0.00 1.84 1.77 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 2.23 2.21 0.00 36 R 7.53 3.67 0.00 1.81 1.80 0.00 3.46 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 37 N 9.53 3.98 0.00 2.82 2.85 0.00 0.00 7.08 7.65 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 38 G 6.86 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 0.00 0.00 0.00 39 I 7.18 3.51 1.79 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 1.37 1.23 0.90 0.00 0.00 40 H 8.26 4.81 0.00 3.21 3.18 0.00 5.63 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 I 8.34 3.68 2.11 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 1.09 0.25 0.94 0.00 0.00 42 I 8.16 4.45 2.07 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 1.41 1.27 1.10 0.00 0.00 43 D 8.62 4.30 0.00 2.88 2.71 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 44 L 8.83 4.12 0.00 1.74 1.68 1.04 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 7.66 3.77 0.00 2.05 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.79 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 46 K 9.54 3.68 0.00 1.96 1.73 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.17 1.43 7.81 47 T 7.79 3.80 4.37 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 1.34 0.00 0.00 48 M 8.59 4.03 0.00 2.39 2.34 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.60 0.00 49 E 7.94 4.56 0.00 2.13 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 2.57 2.25 0.00 50 E 7.70 3.98 0.00 2.10 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 2.27 2.17 0.00 51 L 8.18 4.10 0.00 2.03 2.30 1.07 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.55 3.99 0.00 2.29 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 2.37 2.38 0.00 53 R 8.04 4.04 0.00 1.93 2.06 0.00 3.34 0.00 0.00 3.25 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.82 0.00 54 T 7.87 3.88 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 0.79 0.00 0.00 55 F 8.90 4.08 0.00 3.04 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 R 7.85 3.97 0.00 2.12 2.08 0.00 3.34 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 1.93 1.88 0.00 57 F 8.19 4.10 0.00 2.33 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 58 I 7.56 3.70 2.06 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 1.43 0.05 0.90 0.00 0.00 59 E 9.12 4.05 0.00 2.06 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 2.30 2.33 0.00 60 D 7.72 4.54 0.00 2.80 2.55 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 61 L 7.22 4.41 0.00 1.46 1.58 0.66 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.21 3.92 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 63 M 8.14 5.05 0.00 2.14 2.18 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 2.67 0.00 64 R 8.00 4.40 0.00 1.85 1.96 0.00 3.00 0.00 0.00 3.13 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.54 0.00 65 G 8.07 3.82 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 0.00 0.00 0.00 66 G 8.24 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 67 T 8.58 4.30 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 68 I 8.37 4.72 2.13 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 1.46 1.05 1.22 0.00 0.00 69 L 8.35 5.71 0.00 1.84 1.68 1.29 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 70 F 9.36 5.10 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 71 V 8.91 4.68 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.94 0.00 0.00 72 G 9.28 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 73 T 8.52 4.57 4.32 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 1.44 0.00 0.00 74 K 7.78 4.26 0.00 1.96 1.98 0.00 1.48 0.00 0.00 1.78 0.00 0.00 2.86 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.45 7.81 75 K 8.80 3.97 0.00 1.78 1.93 0.00 1.81 0.00 0.00 1.79 0.00 0.00 2.95 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.47 1.43 7.81 76 Q 8.31 4.02 0.00 2.10 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.06 0.00 0.00 0.00 0.00 0.00 2.46 2.40 0.00 77 A 7.49 5.04 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 7.69 4.19 0.00 2.36 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.78 0.00 0.00 0.00 0.00 0.00 2.54 2.47 0.00 79 D 8.84 4.45 0.00 2.89 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 I 7.79 3.58 1.85 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 1.53 1.31 0.88 0.00 0.00 81 V 8.29 3.79 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 1.06 0.00 0.00 1.05 0.00 0.00 82 R 7.87 3.02 0.00 1.73 2.00 0.00 3.16 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.66 0.00 83 M 8.27 3.94 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.56 0.00 84 E 7.79 3.94 0.00 2.06 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 2.53 2.56 0.00 85 A 7.41 3.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 E 8.38 4.02 0.00 2.06 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 2.49 2.45 0.00 87 R 8.28 4.34 0.00 1.80 1.85 0.00 3.52 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 88 A 8.43 5.03 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 89 G 8.19 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 0.00 0.00 0.00 90 M 7.45 4.67 0.00 2.14 1.95 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.51 0.00 91 P 0.00 4.62 0.00 2.13 1.97 0.00 3.83 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.10 0.00 92 Y 8.51 5.45 0.00 3.10 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 9.62 4.63 2.40 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 1.21 0.00 0.00 1.34 0.00 0.00 94 N 9.45 5.11 0.00 3.02 2.94 0.00 0.00 7.24 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 7.82 4.92 0.00 2.40 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.73 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 96 R 8.88 4.00 0.00 1.54 1.78 0.00 3.39 0.00 0.00 3.39 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.70 0.00 97 W 8.83 4.32 0.00 3.28 3.25 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 98 L 7.13 3.50 0.00 1.26 1.25 0.68 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 99 G 8.14 3.43 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 0.00 0.00 0.00 0.00 100 G 10.06 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 6.57 3.85 0.00 1.56 1.14 0.00 0.00 0.00 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.75 0.00 102 L 8.82 4.72 0.00 1.99 1.72 1.41 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 103 T 8.65 3.94 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 1.25 0.00 0.00 104 N 8.18 5.01 0.00 2.75 2.78 0.00 0.00 6.84 8.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 F 8.39 4.41 0.00 3.22 3.18 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 0.00 106 K 8.09 3.53 0.00 1.77 1.85 0.00 1.82 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.50 7.81 107 T 7.73 4.33 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 1.18 0.00 0.00 108 I 7.64 3.82 2.09 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.37 0.85 0.00 0.00 109 S 8.18 4.24 0.00 3.71 3.57 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 0.00 110 Q 7.47 4.19 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.53 0.00 111 R 7.59 4.36 0.00 2.09 1.98 0.00 3.27 0.00 0.00 3.10 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.74 0.00 112 V 7.84 3.78 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 0.99 0.00 0.00 1.15 0.00 0.00 113 H 8.13 4.53 0.00 3.24 3.28 0.00 5.95 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 7.45 4.40 0.00 2.17 2.01 0.00 3.17 0.00 0.00 3.38 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.52 0.00 115 L 7.73 4.15 0.00 1.93 1.82 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 116 E 8.00 4.21 0.00 2.24 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 2.52 2.39 0.00 117 E 7.94 3.97 0.00 1.97 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.22 0.00 118 L 7.37 4.39 0.00 1.67 1.74 1.01 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 119 E 7.88 4.11 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 120 A 7.96 4.15 1.41 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 0.00 0.00 0.00 121 L 7.63 4.03 0.00 1.62 1.77 0.95 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 122 F 7.98 4.34 0.00 3.15 3.33 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 0.00 123 A 7.61 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 S 7.43 4.77 0.00 3.93 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 0.00 125 P 0.00 4.31 0.00 2.23 2.23 0.00 3.71 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 2.05 1.97 0.00 126 E 7.86 4.52 0.00 1.99 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 2.32 2.23 0.00 127 I 7.41 4.14 1.82 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 1.50 0.68 0.89 0.00 0.00 128 E 7.88 4.18 0.00 1.95 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 2.31 2.32 0.00 129 E 8.02 4.28 0.00 2.09 1.14 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 2.30 2.35 0.00 130 R 9.30 3.70 0.00 1.87 1.94 0.00 3.41 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.68 0.00 131 P 0.00 4.20 0.00 2.21 2.21 0.00 3.73 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 1.99 0.00 132 K 8.90 3.45 0.00 1.80 1.88 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.52 1.51 7.81 133 K 8.02 4.25 0.00 1.79 1.85 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.41 7.81 134 E 8.86 4.62 0.00 2.00 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 2.21 2.38 0.00 135 Q 7.64 4.26 0.00 2.08 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.77 0.00 0.00 0.00 0.00 0.00 2.40 2.57 0.00 136 V 7.48 4.31 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 0.94 0.00 0.00 137 R 7.82 4.02 0.00 1.98 1.89 0.00 3.58 0.00 0.00 3.36 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 138 L 8.21 4.28 0.00 1.85 1.73 0.94 0.64 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 0.00 139 K 7.91 3.91 0.00 1.84 1.94 0.00 1.86 0.00 0.00 1.68 0.00 0.00 3.08 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.46 1.59 7.81 140 H 8.98 4.19 0.00 3.55 3.39 0.00 5.84 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 E 8.31 3.98 0.00 2.18 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 0.00 2.32 2.33 0.00 142 L 8.30 4.24 0.00 1.89 1.63 0.97 0.92 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 0.00 143 E 7.92 4.22 0.00 2.21 1.77 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 2.55 2.41 0.00 144 R 7.70 3.75 0.00 2.10 2.16 0.00 3.02 0.00 0.00 3.40 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.82 0.00 145 L 7.79 4.03 0.00 1.81 1.78 0.99 0.74 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 0.00 146 Q 7.43 4.05 0.00 2.17 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.89 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 147 K 7.29 4.00 0.00 1.48 1.48 0.00 1.53 0.00 0.00 0.95 0.00 0.00 2.50 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.48 1.13 7.81 148 Y 8.20 4.56 0.00 2.96 2.89 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 0.00 0.00 0.00 149 L 7.86 4.77 0.00 1.94 1.74 1.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 150 S 7.80 3.95 0.00 3.89 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 0.00 151 G 7.58 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 F 7.53 4.87 0.00 2.95 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 R 7.43 4.58 0.00 1.74 1.87 0.00 3.25 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.95 0.00 154 L 7.67 4.39 0.00 1.57 0.82 0.95 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 155 L 7.63 3.71 0.00 1.57 1.51 0.96 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 156 K 7.98 4.66 0.00 1.76 1.84 0.00 1.79 0.00 0.00 1.61 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.57 7.81 157 R 8.01 4.47 0.00 1.79 1.80 0.00 3.30 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.55 0.00 158 L 8.22 3.29 0.00 1.62 1.52 1.04 1.20 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 0.00 159 P 0.00 4.33 0.00 2.14 2.13 0.00 3.64 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.10 0.00 160 D 8.61 4.76 0.00 2.84 2.67 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 0.00 161 A 7.14 4.76 1.47 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 0.00 0.00 162 I 7.60 5.25 1.94 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 1.28 1.25 1.03 0.00 0.00 163 F 8.69 5.80 0.00 2.38 1.47 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 0.00 164 V 7.37 4.54 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 0.86 0.00 0.00 0.76 0.00 0.00 165 V 8.55 3.68 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 0.65 0.00 0.00 0.98 0.00 0.00 166 D 6.05 4.46 0.00 2.66 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 0.00 0.00 0.00 0.00 167 P 0.00 4.00 0.00 2.15 1.97 0.00 3.78 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.95 0.00 168 T 7.66 3.85 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 169 K 7.84 3.87 0.00 2.02 1.89 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.51 7.81 170 E 8.22 4.43 0.00 1.93 1.65 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 2.22 2.26 0.00 171 A 7.69 4.08 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 0.00 172 I 7.56 3.75 2.13 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 1.43 0.48 1.06 0.00 0.00 173 A 7.32 2.58 -0.08 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 0.00 0.00 174 V 6.98 3.28 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 0.95 0.00 0.00 0.83 0.00 0.00 175 R 8.18 3.92 0.00 1.92 1.97 0.00 3.24 0.00 0.00 3.19 8.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 176 E 8.09 3.97 0.00 2.48 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 0.00 2.50 2.97 0.00 177 A 8.51 3.97 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 0.00 178 R 7.89 3.74 0.00 1.84 2.13 0.00 3.32 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 179 K 8.37 3.90 0.00 1.89 1.96 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.37 7.81 180 L 7.64 4.31 0.00 1.72 1.73 1.03 0.77 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 0.00 181 F 7.33 3.95 0.00 3.30 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 I 7.57 4.62 1.94 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 1.50 0.83 1.01 0.00 0.00 183 P 0.00 4.48 0.00 2.34 2.05 0.00 3.85 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 2.52 2.31 0.00 184 V 9.78 4.43 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 0.93 0.00 0.00 0.98 0.00 0.00 185 I 8.49 5.57 2.04 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 1.21 0.47 1.10 0.00 0.00 186 A 8.23 4.17 1.05 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 0.00 0.00 187 L 8.64 5.02 0.00 1.37 1.41 0.92 1.04 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 0.00 188 A 7.83 4.77 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 0.00 189 D 7.88 3.98 0.00 2.61 2.89 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 0.00 0.00 0.00 190 T 8.36 3.17 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 1.26 0.00 0.00 191 D 8.08 4.39 0.00 2.57 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 0.00 192 S 7.37 4.73 0.00 3.86 3.78 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 0.00 0.00 0.00 193 D 8.26 4.89 0.00 2.93 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 0.00 194 P 0.00 4.37 0.00 2.12 2.26 0.00 3.80 0.00 0.00 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.79 0.00 195 D 6.75 3.63 0.00 2.67 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 0.00 196 L 7.91 4.30 0.00 1.69 1.72 0.88 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 197 V 7.66 4.30 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 0.91 0.00 0.00 0.96 0.00 0.00 198 D 8.98 4.22 0.00 2.71 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 0.00 0.00 0.00 199 Y 8.33 4.52 0.00 2.85 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 0.00 200 I 8.46 4.78 2.16 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.60 1.12 0.00 0.00 201 I 8.34 4.52 1.93 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 1.41 1.62 1.01 0.00 0.00 202 P 0.00 5.02 0.00 2.32 2.34 0.00 3.85 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.66 0.00 203 G 9.06 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 0.00 0.00 0.00 0.00 204 N 9.22 4.26 0.00 2.93 2.92 0.00 0.00 7.03 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 8.17 4.73 0.00 2.75 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 0.00 206 D 7.41 5.33 0.00 2.70 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 0.00 207 A 7.87 3.96 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 0.00 208 I 8.58 3.83 1.85 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 1.88 0.58 0.91 0.00 0.00 209 R 7.86 3.84 0.00 1.78 1.94 0.00 3.23 0.00 0.00 3.32 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.60 0.00 210 S 8.13 4.25 0.00 3.95 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 0.00 211 I 7.64 3.69 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 1.39 0.68 0.92 0.00 0.00 212 Q 8.27 3.90 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.74 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 213 L 8.09 3.89 0.00 1.72 1.59 0.59 1.03 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 0.00 214 I 7.41 3.99 1.98 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 1.69 1.00 1.16 0.00 0.00 215 L 8.77 4.49 0.00 1.87 1.87 1.44 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 216 S 8.54 4.96 0.00 3.96 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 0.00 217 R 8.09 4.82 0.00 2.05 1.95 0.00 3.22 0.00 0.00 3.02 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 218 A 8.07 4.85 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 0.00 219 V 7.62 3.81 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 1.08 0.00 0.00 1.06 0.00 0.00 220 D 7.74 4.31 0.00 2.76 2.67 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 0.00 221 L 7.81 4.10 0.00 1.61 1.87 0.98 0.83 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 0.00 222 I 7.44 4.18 2.05 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.05 0.92 0.00 0.00 223 I 7.63 3.81 1.86 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 1.49 0.73 0.90 0.00 0.00 224 Q 8.49 4.14 0.00 2.04 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.87 0.00 0.00 0.00 0.00 0.00 2.35 2.28 0.00 225 A 7.99 4.72 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 0.00 226 R 8.18 4.47 0.00 1.89 1.91 0.00 3.12 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 227 G 8.28 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 0.00 228 G 8.61 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 0.00 229 V 7.32 3.91 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 0.81 0.00 0.00 0.91 0.00 0.00 230 V 7.38 3.84 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 0.87 0.00 0.00 0.93 0.00 0.00 231 E 8.26 4.55 0.00 2.07 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 2.21 2.32 0.00 232 P 0.00 4.27 0.00 2.10 2.09 0.00 3.68 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 233 S 8.33 4.42 0.00 3.82 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 0.00 234 P 0.00 4.35 0.00 2.23 2.13 0.00 3.80 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 235 S 7.84 4.34 0.00 3.80 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 0.00 236 Y 7.77 4.16 0.00 2.95 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 0.00 237 A 9.02 4.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 238 L 9.30 4.25 0.00 1.78 1.81 0.93 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 239 V 7.55 3.22 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 0.74 0.00 0.00 0.92 0.00 0.00 240 Q 8.24 2.78 0.00 2.21 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.42 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 *241 E 7.79 4.15 0.00 1.73 1.76 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.