NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.3035 8.3027 121.7291 55.8991 32.4144 176.9419 2 V 4.0577 8.7880 113.7366 62.3872 32.8912 173.4226 3 K 4.6698 10.5277 128.2902 54.6571 36.4612 174.7031 4 L 5.1983 8.7747 124.3627 52.9721 44.6274 175.9747 5 L 4.7456 8.8429 124.6314 52.9483 44.2724 176.3777 6 E 5.0537 8.9095 123.4819 56.4832 31.0445 175.9783 7 S 4.5649 9.2182 115.7366 58.7016 67.6987 176.0106 8 G 3.9364 9.2853 109.3092 45.3689 0.0000 174.1706 9 G 3.6730 7.5161 108.6422 45.1090 0.0000 172.5684 10 G 3.9665 7.9152 105.6457 43.1134 0.0000 171.8991 11 L 4.7843 7.9473 122.4180 54.8235 42.8070 176.2028 12 A 4.8715 8.9826 126.4568 50.4170 23.4427 174.3015 13 Q 5.1002 8.3962 117.5060 53.1508 31.3050 173.9642 14 P 4.4835 0.0000 0.0000 64.7798 31.3917 176.7862 15 G 3.9120 9.6048 110.5527 45.4876 0.0000 173.7439 16 G 4.0393 7.8413 107.0858 45.5559 0.0000 172.6666 17 S 5.2996 8.2946 114.1564 56.9691 67.0965 173.5590 18 L 4.4541 8.6143 121.8039 53.8594 45.8770 173.8027 19 K 4.8582 8.5496 126.5121 54.7662 34.0484 175.0426 20 L 4.8955 8.8949 128.2940 53.5091 44.1069 175.8398 21 S 5.5733 9.2523 115.8005 57.0799 67.4515 171.9447 22 C 5.4651 9.0115 119.6834 55.1023 48.2367 172.1962 23 A 5.0538 9.0792 128.2901 50.3449 20.4875 175.5715 24 A 5.8338 8.1923 124.3499 49.6699 22.2251 175.3879 25 S 4.1418 8.6289 111.5588 58.5023 65.8162 176.4456 26 G 4.4461 10.8932 108.7309 46.3159 0.0000 172.9915 27 F 4.7912 6.8739 111.3275 55.7789 40.1689 174.5818 28 D 4.6368 8.6556 122.2958 53.2553 39.1458 175.9478 29 F 4.0168 8.3124 126.7084 60.8204 39.5734 177.5245 30 R 4.0362 8.1386 114.4427 58.1317 29.2282 176.9903 31 R 4.3851 8.4834 116.7411 56.2461 30.8319 175.3279 32 Y 4.9329 7.6498 115.5429 55.7211 41.0572 175.6700 33 W 4.4234 9.0324 121.6276 56.8652 30.8850 175.2062 34 M 5.3001 8.9557 122.2386 53.9919 35.4094 174.8788 35 T 5.0857 8.9342 117.0274 61.6471 73.6619 172.8029 36 W 5.1172 8.6330 123.3510 54.9697 32.2018 174.9530 37 V 5.0155 9.0686 123.8929 61.1126 34.8908 174.2476 38 R 4.9485 8.9686 122.5249 54.4822 33.5152 174.4748 39 Q 4.8461 8.6692 120.3827 54.7280 31.9493 173.9804 40 A 4.7289 8.6075 128.6321 50.5268 20.3359 174.7087 41 P 4.3373 0.0000 0.0000 64.1338 31.7510 176.8461 42 G 4.0068 8.9809 110.0821 46.3455 0.0000 172.8088 43 K 4.6870 7.8857 117.0473 54.3246 36.3535 175.8261 44 G 4.1274 8.1848 108.4402 44.3039 0.0000 173.5492 45 L 4.4826 8.2614 118.6349 54.8335 42.4504 176.2719 46 E 4.7155 9.0662 121.8703 54.1863 32.8430 174.2741 47 W 4.5081 9.1804 135.0000 57.9853 31.1071 175.3368 48 I 3.7827 8.7766 128.0424 61.1692 38.5478 176.1927 49 G 3.0042 5.5015 108.8141 45.5857 0.0000 170.4242 50 D 5.4796 8.0840 118.8879 51.7063 43.8075 174.2069 51 I 4.9028 8.9174 118.9526 59.1469 41.6538 174.4925 52 N 3.1400 7.7063 126.5755 50.7941 38.4821 173.9311 52A P 3.8421 0.0000 0.0000 66.2065 31.3830 177.4163 53 D 4.5158 7.6859 114.4021 53.1450 39.2037 176.3877 54 S 3.5900 7.6901 112.3433 59.8963 61.2263 173.6736 55 R 4.0514 8.3442 120.1693 58.1675 30.2857 176.6636 56 T 4.6117 8.5696 115.4833 61.5803 71.7001 173.3233 57 I 4.6671 8.3660 126.3857 59.7707 40.4531 174.3535 58 N 5.1179 8.8580 125.2121 52.1396 40.5952 174.2028 59 Y 5.3484 8.6086 119.0509 56.1042 42.1793 174.9179 60 M 4.7311 8.9441 119.6128 54.3905 32.5176 174.2226 61 P 4.1903 0.0000 0.0000 63.4609 31.6482 175.4426 62 S 4.5841 8.0329 116.8268 58.2860 65.7489 174.7077 63 L 4.3520 7.8989 119.6466 53.6213 42.4290 176.3596 64 K 3.8017 8.4718 121.3687 58.5055 32.2965 176.7054 65 D 4.3932 8.6416 120.7984 54.4360 38.8725 174.8026 66 K 3.7745 7.9276 121.9926 58.6255 32.2655 176.2922 67 F 5.2890 7.3337 114.8949 55.6772 42.1774 175.3617 68 I 4.7398 8.5163 122.0423 60.0740 40.6539 174.2395 69 I 5.1517 10.1668 129.7593 60.4283 38.7630 175.4607 70 S 4.8928 8.9694 119.2564 57.9784 66.8603 172.7793 71 R 5.0292 8.3865 115.2984 55.3538 32.4700 174.6102 72 D 4.7850 9.0573 119.3689 52.1659 41.9898 175.4833 73 N 4.6496 9.0025 123.0524 55.8510 39.1212 177.5983 74 A 3.9943 8.2213 120.2393 54.4882 18.5875 178.1211 75 K 4.3164 9.0536 113.4127 55.2936 32.8251 176.3096 76 N 3.1400 7.3089 115.6575 54.3159 36.7267 173.5367 77 S 5.4088 7.1113 112.1477 55.3784 68.0112 174.5434 78 L 5.1658 7.9113 122.7425 53.5577 45.5327 174.6678 79 Y 5.6941 9.3093 122.9201 56.2906 42.2499 174.5404 80 L 4.6957 8.7515 123.3876 53.4791 45.4133 175.0073 81 Q 4.7701 9.2110 129.5763 54.9240 30.0651 174.2832 82 L 5.0569 9.2637 128.6153 53.8317 43.8334 176.0889 82A S 4.8340 8.1010 115.7104 56.8815 66.6314 173.2294 82B R 3.7191 8.5231 115.8778 56.4722 27.5440 177.2163 82C L 4.1655 7.8277 117.2666 55.4146 42.4346 177.3218 83 R 4.9174 8.9172 119.6350 53.6032 32.4072 176.7003 84 S 4.3851 8.7173 113.2306 61.6548 62.7938 176.5174 85 E 4.0177 8.1957 118.9292 58.7989 29.2567 177.1864 86 D 4.7682 8.3625 117.2992 54.9184 41.3084 176.5715 87 S 4.6160 8.3127 117.3005 58.8610 63.3847 173.5504 88 A 4.2679 8.7707 125.7073 51.6230 23.6843 174.1773 89 L 4.6044 8.0344 121.5190 54.4478 43.5896 174.8918 90 Y 4.7457 8.9079 124.8468 56.8683 39.7907 174.3327 91 Y 5.4326 9.7382 123.6875 56.6728 40.9856 173.8724 92 C 4.2746 9.6632 123.8390 54.8510 41.7105 172.5164 93 V 4.5505 8.4410 126.0837 60.8387 34.2627 174.0588 94 R 4.4830 8.6275 128.1713 55.3642 31.5941 174.5280 95 L 4.8976 8.4985 128.6530 53.3276 43.8268 175.1350 96 D 4.7784 9.4786 128.0786 54.2312 42.2664 174.8546 97 F 4.9972 9.0767 129.5433 56.4984 39.4329 172.6072 98 D 4.7215 8.5754 123.2646 52.2540 40.8620 176.7973 99 V 3.6769 8.0860 118.6373 63.0499 32.1702 177.8164 100 Y 4.0258 7.8135 117.0160 60.3242 37.8314 176.1671 100A N 4.6750 8.5642 113.9928 52.2603 39.5634 174.3654 100B H 3.8664 7.4303 114.2505 57.3412 26.3883 174.1891 100C Y 4.4938 7.3914 119.4576 55.8344 41.9649 174.6529 100D Y 5.3192 7.7202 122.8689 55.2549 41.9461 174.3110 100E V 4.1668 7.8713 123.3255 61.0309 35.6149 174.5536 100F L 4.3406 8.5199 127.0095 54.2876 39.9421 176.3192 101 D 3.9479 8.6008 118.6985 57.2585 40.8277 176.2894 102 Y 4.7788 8.4039 116.6280 56.8263 40.9086 175.3232 103 W 5.1070 9.0252 122.7415 54.8356 32.6098 175.6987 104 G 4.1200 8.9126 111.2122 45.7595 0.0000 173.5139 105 Q 4.5232 8.9453 116.8717 55.5481 29.0678 177.4261 106 G 4.0898 8.6665 103.8772 45.5629 0.0000 172.8206 107 T 4.6301 8.3297 113.0570 59.8801 70.3620 173.0350 108 S 4.6006 8.7017 123.6898 58.2866 64.1713 172.7693 109 V 4.8031 8.8391 125.7775 61.5843 34.7724 173.9639 110 T 4.8026 8.6621 124.7843 61.7017 71.3206 173.4063 111 V 4.4613 9.1283 128.4196 62.5695 31.9108 175.0573 112 S 4.7773 9.2040 121.3957 58.0343 65.3009 175.1761 113 S 4.4187 8.9099 118.0605 59.4980 63.8334 174.5651 114 A 4.1135 7.7511 123.7097 52.3510 18.5753 176.4531 115 S 4.9645 8.1248 113.6858 56.3234 65.3064 174.3371 116 T 4.5231 8.3413 112.0339 62.4396 69.5115 173.4893 117 K 4.5612 9.7338 124.9176 54.8949 35.6436 175.9268 118 G 4.5087 8.9973 115.0232 45.9164 0.0000 170.5900 119 P 5.1602 0.0000 0.0000 61.7493 33.6947 174.8790 120 S 4.4952 8.8378 116.9967 56.7613 64.9986 173.4653 121 V 4.3859 7.9349 124.7815 61.3089 32.6258 174.5413 122 F 5.3999 8.9647 127.6768 55.1091 41.8906 173.2090 123 P 4.9497 0.0000 0.0000 62.4913 32.7520 176.5249 124 L 4.6818 9.0410 124.5217 52.4437 40.9228 174.9514 125 A 4.3584 8.3522 123.1958 51.6420 19.3551 175.5388 126 P 4.7359 0.0000 0.0000 61.7727 31.9965 176.6976 127 S 4.2767 8.6641 119.5236 58.1058 63.2541 174.1580 128 S 4.2462 8.7570 122.2909 61.4370 63.3495 175.2391 129 K 4.2881 7.9110 119.1108 56.0241 32.6218 175.7188 130 S 4.2559 7.7989 115.8991 58.8977 62.7581 174.6717 124 T 4.6918 9.0310 116.3216 59.1437 68.3228 172.0514 125 S 4.5084 8.4222 115.0958 57.4420 64.0550 172.3388 126 G 4.2759 8.5279 109.0694 43.5727 0.0000 174.2976 127 G 3.7667 8.6841 112.6236 44.9058 0.0000 174.4580 128 T 4.1262 8.5970 120.1909 64.9370 69.3495 175.3391 129 A 4.2881 7.8610 122.5108 52.3241 18.6218 176.9188 130 A 4.1059 7.7289 123.9991 53.0977 18.0581 177.8717 140 L 4.6699 7.9863 120.1465 54.7058 44.7502 175.3708 141 G 4.1330 7.5022 104.6591 46.2758 0.0000 172.7076 142 C 5.3380 9.1408 116.0846 55.0905 41.3700 173.3408 143 L 4.8124 9.4838 125.5459 53.7294 43.6971 175.5527 144 V 4.7381 9.1660 129.2292 61.3957 32.1069 174.5137 145 K 4.8959 8.7399 127.0785 54.1590 36.0302 174.8208 146 D 4.2685 8.7383 119.5450 55.4955 37.7650 172.0098 147 Y 5.3247 7.9012 118.4403 55.5226 42.7992 175.5438 148 F 5.1972 9.3033 119.9450 57.1515 43.5573 171.8027 149 P 4.1835 0.0000 0.0000 60.8703 33.7990 174.7645 150 E 4.2727 8.4775 118.6229 56.1755 29.8277 174.1573 151 P 5.0322 0.0000 0.0000 60.8234 34.2169 174.0281 152 V 4.6350 7.9751 117.5373 59.9067 34.1082 174.8993 153 T 4.6649 8.6820 112.6424 59.9118 71.8169 172.9087 154 V 5.3821 8.3020 123.5391 60.0526 34.7275 174.4417 *156 S 5.1588 8.4355 120.8666 58.3356 65.1973 172.1008 157 W 5.6851 8.3316 119.0192 53.5000 32.0174 176.3338 *162 N 4.5848 8.2377 122.2714 54.5588 39.1836 174.6825 163 S 3.8214 9.8426 107.0256 59.5808 61.6681 174.3961 164 G 4.0594 8.1920 109.4036 45.4632 0.0000 175.6633 165 A 4.0345 8.0720 122.6046 54.2704 18.4967 177.3526 166 L 4.6945 7.9190 117.6595 53.7260 43.0466 175.7587 167 T 4.6271 8.2899 113.6585 61.1292 70.5101 174.0866 168 S 4.1770 8.0723 119.0476 59.3979 63.3880 174.3305 169 G 3.6394 8.5709 113.7973 45.2722 0.0000 172.3243 *171 V 4.1583 7.2789 118.3107 62.9746 32.7248 174.3944 172 H 4.6358 9.3796 123.9731 54.5277 32.0603 172.8505 173 T 4.8240 8.2999 121.4504 61.7021 69.0477 175.0241 174 F 4.5414 8.6845 125.9696 56.2203 39.8744 174.2031 175 P 4.4128 0.0000 0.0000 62.4636 31.8667 176.2207 176 A 4.5341 8.5609 122.6290 52.4524 19.4525 176.7396 177 V 4.5179 9.1243 119.9638 60.9316 35.0023 174.6438 178 L 4.1733 8.5337 128.8224 54.1033 42.3589 176.2599 179 Q 4.3242 8.7303 126.5969 55.1859 29.7018 177.6245 180 S 3.9874 8.7623 116.1955 61.5628 62.7754 175.8434 *182 S 4.1943 7.9488 112.3643 56.8446 64.3088 174.4919 183 G 3.6965 8.3600 109.6186 45.4347 0.0000 173.2218 184 L 4.5916 7.0147 118.2423 53.1974 44.4584 175.6687 185 Y 4.8042 8.3915 119.6069 57.7027 39.5555 174.4958 186 S 5.4447 8.6776 113.6421 57.8532 66.6152 173.3008 187 L 4.6673 9.4030 125.0166 55.3103 44.2696 173.7812 188 S 5.4338 8.8385 114.4651 56.9528 67.4527 173.3075 189 S 5.1516 9.4047 116.1795 57.2001 65.4997 173.3782 190 V 5.1281 9.0174 120.3816 59.8911 35.7833 175.3681 191 V 5.1616 8.5835 120.8030 61.7870 34.4092 173.0377 192 T 5.1502 8.3078 116.4130 61.1550 70.0013 174.4881 193 V 4.5782 7.9410 116.2713 58.7679 36.0901 172.5332 194 P 4.2136 0.0000 0.0000 63.8236 30.8137 175.7089 195 S 4.2791 9.1643 119.8767 60.8342 63.4013 175.5492 196 S 4.5072 7.9431 112.5675 58.5803 62.8519 174.4732 197 S 4.8525 8.1649 111.8009 57.7181 64.4659 175.3149 198 L 4.6776 8.0112 120.9691 54.6748 40.6673 178.0606 199 G 4.2001 8.7595 104.4549 46.5454 0.0000 174.5031 200 T 4.3389 7.6474 109.2802 61.4991 69.6646 173.4202 *203 Q 4.1876 7.6044 119.6201 56.5205 29.8245 174.2090 *205 T 4.5964 8.0027 114.5741 63.7714 69.8097 173.1083 206 Y 5.1375 8.3273 122.5997 56.4316 41.2768 174.5246 207 I 5.2761 9.2239 125.4164 59.5204 41.2302 172.0414 208 C 4.1598 8.7190 121.8125 53.5293 40.2890 172.4676 209 N 4.9705 9.3011 121.6480 51.0214 39.7662 173.8254 210 V 4.5024 8.8150 125.2893 61.4445 33.7039 174.2898 211 N 5.2659 8.9458 125.2337 52.4019 42.7690 172.6502 212 H 4.7273 9.3203 125.4988 53.7637 30.9211 173.1778 213 K 3.7647 8.6857 125.2460 58.7402 32.2942 176.7435 214 P 3.9671 0.0000 0.0000 65.1652 31.5646 177.1381 215 S 4.6243 8.1182 109.7634 56.9145 63.5048 173.3972 216 N 4.4681 8.4287 118.4946 55.2429 37.7600 173.8461 217 T 4.6259 7.8569 113.5985 61.9830 71.2985 175.4256 218 K 4.8342 8.4110 126.2201 55.0809 35.0457 175.2455 219 V 4.4282 9.0365 127.6185 61.1287 35.1948 174.0404 220 D 5.1594 8.6381 126.1644 52.5641 43.6259 174.0581 221 K 4.4618 8.4628 125.7271 54.5396 34.2458 174.8969 222 K 4.8542 8.6180 129.0410 55.2108 33.4091 175.6064 223 V 4.0375 8.6928 128.9265 62.1151 32.5057 175.1616 *226 E 4.8562 8.5481 126.1398 55.4795 30.6246 173.8003 227 P 4.3764 0.0000 0.0000 62.3017 31.7893 177.8380 228 K 3.9665 8.3698 124.6556 56.3300 29.9341 174.0894 *232 S 4.2105 8.0532 115.7277 57.9441 63.0019 173.3800 233 C 4.3476 8.6432 124.3728 59.9138 28.1360 173.7918 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 E 8.30 4.30 0.00 2.03 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 2.20 2.29 0.00 2 V 8.79 4.06 1.08 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 0.29 0.00 0.00 0.07 0.00 0.00 3 K 10.53 4.67 0.00 1.65 1.65 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.39 7.81 4 L 8.77 5.20 0.00 1.54 1.57 1.00 1.08 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 5 L 8.84 4.75 0.00 1.57 1.58 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.91 5.05 0.00 1.97 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 0.00 2.61 2.54 0.00 7 S 9.22 4.56 0.00 3.81 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 G 9.29 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 G 7.52 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 G 7.92 3.97 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 0.00 0.00 0.00 11 L 7.95 4.78 0.00 1.60 1.57 1.01 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 12 A 8.98 4.87 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 0.00 0.00 13 Q 8.40 5.10 0.00 2.01 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.93 0.00 0.00 0.00 0.00 0.00 2.39 2.34 0.00 14 P 0.00 4.48 0.00 2.17 2.10 0.00 3.82 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 2.01 2.01 0.00 15 G 9.60 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 0.00 0.00 0.00 16 G 7.84 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 17 S 8.29 5.30 0.00 3.66 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 18 L 8.61 4.45 0.00 1.62 1.30 0.90 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 19 K 8.55 4.86 0.00 1.68 1.61 0.00 1.67 0.00 0.00 1.84 0.00 0.00 2.76 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.22 1.49 7.81 20 L 8.89 4.90 0.00 0.98 1.34 0.15 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 21 S 9.25 5.57 0.00 4.08 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 9.01 5.47 0.00 2.97 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 23 A 9.08 5.05 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 0.00 0.00 24 A 8.19 5.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 S 8.63 4.14 0.00 3.77 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 26 G 10.89 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 27 F 6.87 4.79 0.00 3.02 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 D 8.66 4.64 0.00 2.91 2.81 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 29 F 8.31 4.02 0.00 2.62 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 30 R 8.14 4.04 0.00 1.96 2.10 0.00 3.09 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.68 0.00 31 R 8.48 4.39 0.00 1.75 1.86 0.00 3.11 0.00 0.00 3.35 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.87 0.00 32 Y 7.65 4.93 0.00 2.94 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 33 W 9.03 4.42 0.00 3.53 3.22 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 34 M 8.96 5.30 0.00 1.76 1.81 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 35 T 8.93 5.09 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 36 W 8.63 5.12 0.00 3.09 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 37 V 9.07 5.02 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.85 0.00 0.00 38 R 8.97 4.95 0.00 0.97 1.06 0.00 2.40 0.00 0.00 2.72 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.36 0.00 39 Q 8.67 4.85 0.00 2.42 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.96 0.00 0.00 0.00 0.00 0.00 2.34 2.68 0.00 40 A 8.61 4.73 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 41 P 0.00 4.34 0.00 2.13 2.09 0.00 3.88 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 2.10 2.13 0.00 42 G 8.98 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 K 7.89 4.69 0.00 1.84 1.73 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.16 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.57 1.54 7.81 44 G 8.18 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 45 L 8.26 4.48 0.00 1.78 1.85 0.88 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 46 E 9.07 4.72 0.00 2.06 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 2.25 2.34 0.00 47 W 9.18 4.51 0.00 3.32 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 48 I 8.78 3.78 1.72 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 0.78 0.59 0.02 0.00 0.00 49 G 5.50 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 0.00 0.00 0.00 50 D 8.08 5.48 0.00 3.29 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 I 8.92 4.90 1.78 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 1.05 1.62 0.83 0.00 0.00 52 N 7.71 3.14 0.00 1.44 1.42 0.00 0.00 6.68 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52A P 0.00 3.84 0.00 1.84 2.27 0.00 3.03 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.96 0.00 53 D 7.69 4.52 0.00 2.69 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 54 S 7.69 3.59 0.00 3.99 3.94 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 55 R 8.34 4.05 0.00 2.18 1.92 0.00 3.21 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.56 0.00 56 T 8.57 4.61 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 57 I 8.37 4.67 1.84 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 1.23 0.54 0.43 0.00 0.00 58 N 8.86 5.12 0.00 3.34 3.15 0.00 0.00 6.40 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 59 Y 8.61 5.35 0.00 2.92 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 60 M 8.94 4.73 0.00 2.51 2.31 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.64 0.00 61 P 0.00 4.19 0.00 2.17 2.17 0.00 3.90 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.24 0.00 62 S 8.03 4.58 0.00 3.92 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 L 7.90 4.35 0.00 1.68 1.53 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 64 K 8.47 3.80 0.00 1.68 1.73 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.48 7.81 65 D 8.64 4.39 0.00 2.72 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 K 7.93 3.77 0.00 1.63 0.97 0.00 0.61 0.00 0.00 0.86 0.00 0.00 2.84 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.11 1.15 7.81 67 F 7.33 5.29 0.00 2.84 2.88 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 68 I 8.52 4.74 1.92 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 1.20 0.76 1.00 0.00 0.00 69 I 10.17 5.15 1.83 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.81 1.09 0.00 0.00 70 S 8.97 4.89 0.00 4.04 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 R 8.39 5.03 0.00 2.10 1.97 0.00 2.85 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.68 0.00 72 D 9.06 4.79 0.00 2.97 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 73 N 9.00 4.65 0.00 2.85 2.97 0.00 0.00 6.91 7.54 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 74 A 8.22 3.99 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 75 K 9.05 4.32 0.00 1.71 1.78 0.00 1.94 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.59 7.81 76 N 7.31 3.14 0.00 2.46 2.26 0.00 0.00 6.78 7.25 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 77 S 7.11 5.41 0.00 3.34 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 7.91 5.17 0.00 1.82 1.35 1.01 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 79 Y 9.31 5.69 0.00 3.00 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 L 8.75 4.70 0.00 0.27 0.18 0.71 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 9.21 4.77 0.00 2.18 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.60 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 82 L 9.26 5.06 0.00 1.55 1.48 0.41 0.82 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 82A S 8.10 4.83 0.00 3.68 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 82B R 8.52 3.72 0.00 1.84 1.94 0.00 3.15 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.00 82C L 7.83 4.17 0.00 1.70 1.63 0.93 0.55 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 83 R 8.92 4.92 0.00 2.16 1.99 0.00 2.79 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.60 0.00 84 S 8.72 4.39 0.00 4.08 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 E 8.20 4.02 0.00 2.02 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 2.35 2.44 0.00 86 D 8.36 4.77 0.00 2.85 2.90 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 87 S 8.31 4.62 0.00 3.91 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 88 A 8.77 4.27 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 89 L 8.03 4.60 0.00 1.74 0.96 0.96 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 90 Y 8.91 4.75 0.00 2.98 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 91 Y 9.74 5.43 0.00 3.02 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 92 C 9.66 4.27 0.00 2.52 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 93 V 8.44 4.55 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 -0.31 0.00 0.00 94 R 8.63 4.48 0.00 1.61 1.58 0.00 2.21 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.34 0.00 95 L 8.50 4.90 0.00 1.77 1.94 0.98 1.09 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 96 D 9.48 4.78 0.00 3.18 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 97 F 9.08 5.00 0.00 3.01 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 98 D 8.58 4.72 0.00 2.78 2.59 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 99 V 8.09 3.68 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 1.23 0.00 0.00 0.21 0.00 0.00 100 Y 7.81 4.03 0.00 3.11 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 100A N 8.56 4.67 0.00 2.71 2.75 0.00 0.00 7.23 9.02 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 100B H 7.43 3.87 0.00 3.25 3.36 0.00 5.64 0.00 0.00 0.00 0.00 8.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100C Y 7.39 4.49 0.00 2.78 2.46 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 100D Y 7.72 5.32 0.00 2.58 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100E V 7.87 4.17 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.13 0.00 0.00 100F L 8.52 4.34 0.00 1.82 1.43 1.02 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 101 D 8.60 3.95 0.00 2.58 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 Y 8.40 4.78 0.00 2.78 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 0.00 103 W 9.03 5.11 0.00 2.99 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 G 8.91 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 Q 8.95 4.52 0.00 2.16 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.69 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 106 G 8.67 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 T 8.33 4.63 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 1.34 0.00 0.00 108 S 8.70 4.60 0.00 3.93 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 0.00 109 V 8.84 4.80 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 0.93 0.00 0.00 0.74 0.00 0.00 110 T 8.66 4.80 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 1.20 0.00 0.00 111 V 9.13 4.46 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 0.70 0.00 0.00 1.04 0.00 0.00 112 S 9.20 4.78 0.00 4.08 3.96 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 0.00 113 S 8.91 4.42 0.00 4.03 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 0.00 114 A 7.75 4.11 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 S 8.12 4.96 0.00 4.04 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 0.00 116 T 8.34 4.52 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 117 K 9.73 4.56 0.00 1.87 1.79 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.40 1.45 7.81 118 G 9.00 4.51 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 0.00 119 P 0.00 5.16 0.00 1.98 1.89 0.00 3.65 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.74 0.00 120 S 8.84 4.50 0.00 3.46 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 V 7.93 4.39 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 0.69 0.00 0.00 0.78 0.00 0.00 122 F 8.96 5.40 0.00 3.03 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 0.00 123 P 0.00 4.95 0.00 2.18 2.15 0.00 3.97 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 2.06 2.09 0.00 124 L 9.04 4.68 0.00 1.82 1.72 1.11 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 125 A 8.35 4.36 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 0.00 126 P 0.00 4.74 0.00 1.97 1.98 0.00 3.85 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 2.08 1.91 0.00 127 S 8.66 4.28 0.00 3.83 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 0.00 128 S 8.76 4.25 0.00 4.03 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 0.00 129 K 7.91 4.29 0.00 1.96 2.06 0.00 1.50 0.00 0.00 1.75 0.00 0.00 2.84 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.42 7.81 130 S 7.80 4.26 0.00 3.87 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 0.00 124 T 9.03 4.69 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 125 S 8.42 4.51 0.00 3.63 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 G 8.53 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 0.00 127 G 8.68 3.77 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 0.00 0.00 0.00 128 T 8.60 4.13 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 129 A 7.86 4.29 1.53 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 0.00 0.00 130 A 7.73 4.11 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 0.00 140 L 7.99 4.67 0.00 1.81 1.62 0.84 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 141 G 7.50 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 0.00 142 C 9.14 5.34 0.00 2.74 2.90 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 0.00 143 L 9.48 4.81 0.00 1.87 1.87 1.08 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 144 V 9.17 4.74 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 0.65 0.00 0.00 0.94 0.00 0.00 145 K 8.74 4.90 0.00 1.93 2.00 0.00 2.12 0.00 0.00 1.91 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.65 1.37 7.81 146 D 8.74 4.27 0.00 2.89 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 0.00 147 Y 7.90 5.32 0.00 3.02 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 0.00 148 F 9.30 5.20 0.00 3.14 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 0.00 149 P 0.00 4.18 0.00 1.66 0.67 0.00 3.75 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 150 E 8.48 4.27 0.00 1.78 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 1.47 1.47 0.00 151 P 0.00 5.03 0.00 2.10 1.96 0.00 3.62 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.87 0.00 152 V 7.98 4.64 1.24 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 0.51 0.00 0.00 0.69 0.00 0.00 153 T 8.68 4.66 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 1.18 0.00 0.00 154 V 8.30 5.38 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 0.59 0.00 0.00 0.84 0.00 0.00 *156 S 8.44 5.16 0.00 3.98 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 W 8.33 5.69 0.00 3.52 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 *162 N 8.24 4.58 0.00 3.01 2.92 0.00 0.00 7.27 7.57 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 0.00 163 S 9.84 3.82 0.00 4.00 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 0.00 164 G 8.19 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 0.00 165 A 8.07 4.03 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 0.00 166 L 7.92 4.69 0.00 1.71 1.94 0.95 0.95 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 0.00 167 T 8.29 4.63 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 1.28 0.00 0.00 168 S 8.07 4.18 0.00 3.85 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 0.00 169 G 8.57 3.64 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 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 S 8.16 4.85 0.00 4.02 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 L 8.01 4.68 0.00 1.71 1.81 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 199 G 8.76 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 0.00 200 T 7.65 4.34 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 1.22 0.00 0.00 *203 Q 7.60 4.19 0.00 2.12 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 6.71 0.00 0.00 0.00 0.00 0.00 2.40 2.26 0.00 *205 T 8.00 4.60 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 1.19 0.00 0.00 206 Y 8.33 5.14 0.00 3.05 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 0.00 207 I 9.22 5.28 1.94 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 1.33 1.36 0.88 0.00 0.00 208 C 8.72 4.16 0.00 1.53 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 0.00 209 N 9.30 4.97 0.00 2.45 2.77 0.00 0.00 6.44 7.56 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 0.00 210 V 8.81 4.50 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 0.82 0.00 0.00 0.75 0.00 0.00 211 N 8.95 5.27 0.00 2.75 2.50 0.00 0.00 6.37 7.49 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 0.00 212 H 9.32 4.73 0.00 2.98 3.03 0.00 5.67 0.00 0.00 0.00 0.00 6.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 213 K 8.69 3.76 0.00 1.75 1.74 0.00 1.78 0.00 0.00 1.80 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.48 1.46 7.81 214 P 0.00 3.97 0.00 1.93 2.07 0.00 3.16 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.99 0.00 215 S 8.12 4.62 0.00 4.03 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 216 N 8.43 4.47 0.00 2.73 2.83 0.00 0.00 7.00 5.29 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 0.00 217 T 7.86 4.63 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 218 K 8.41 4.83 0.00 1.67 1.61 0.00 1.83 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.28 1.38 7.81 219 V 9.04 4.43 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.86 0.00 0.00 220 D 8.64 5.16 0.00 2.56 2.52 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 0.00 0.00 0.00 221 K 8.46 4.46 0.00 1.85 1.59 0.00 1.55 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.38 1.45 7.81 222 K 8.62 4.85 0.00 1.84 1.75 0.00 1.84 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.43 1.62 7.81 223 V 8.69 4.04 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 1.23 0.00 0.00 *226 E 8.55 4.86 0.00 2.08 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 2.28 2.37 0.00 227 P 0.00 4.38 0.00 2.08 2.03 0.00 3.74 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.14 0.00 228 K 8.37 3.97 0.00 1.74 1.78 0.00 1.82 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.45 7.81 *232 S 8.05 4.21 0.00 3.91 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 0.00 233 C 8.64 4.35 0.00 3.00 2.81 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 * Residues marked with a * may have inaccurate shift predictions.