NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3962 0.0000 0.0000 62.9026 31.4567 175.4148 *3 H 4.1664 8.3041 122.0820 54.2662 29.6333 173.3254 4 L 4.6848 8.7174 125.7398 53.4487 44.8021 175.7258 5 F 5.0680 8.9048 125.4531 56.7635 41.5668 174.0275 6 Y 5.2838 9.2883 120.9001 56.4518 41.6022 174.6651 7 G 3.3897 7.7570 111.8265 45.8420 0.0000 170.8688 8 T 4.6996 7.7977 116.1502 61.4766 70.7387 173.8759 9 A 4.6547 8.0889 128.7187 50.8313 20.1476 176.4897 10 Q 4.2921 9.1778 117.0540 56.6632 31.6807 174.0108 11 N 4.1266 9.8534 117.3289 54.5026 36.3676 175.4141 12 G 3.9427 8.3267 104.1205 45.3633 0.0000 173.0410 13 E 5.1167 8.1875 117.3666 54.2701 33.7021 174.6922 14 V 4.4551 8.5139 120.7657 60.9432 33.9352 174.3289 15 I 4.8474 7.9781 121.2076 59.1867 40.5205 174.4980 16 F 5.2690 8.9478 122.5260 55.4120 42.9729 175.2848 17 D 5.1371 8.6715 122.5154 52.5696 42.4162 176.7333 18 E 4.0344 8.6223 119.8183 58.8841 29.3045 178.5160 19 R 3.9474 8.0406 117.4725 59.6882 30.5468 177.9185 20 E 4.3101 8.5808 117.6518 59.4268 29.2886 179.1137 21 A 3.9113 7.8667 119.8775 55.4266 18.6942 178.8483 22 H 4.3223 8.3188 116.7845 59.3935 30.0037 176.9099 23 H 4.3127 7.9684 118.6355 56.6565 29.1366 176.9314 *25 R 4.2457 8.0486 118.9745 55.7220 32.0461 178.3380 26 V 3.5457 7.7445 116.8931 66.0147 31.4654 177.4754 27 V 3.6709 7.7083 118.9294 64.1329 31.5482 176.0652 28 R 3.9193 7.3966 116.0821 57.8128 26.8052 181.7920 29 L 4.5191 7.7240 118.5599 54.9653 42.9972 176.2769 30 K 4.5003 8.6258 120.3591 55.6970 35.6621 176.0065 31 E 4.2353 8.5379 115.8925 57.0175 29.7037 175.5567 32 G 3.9497 8.4159 115.6223 45.0044 0.0000 174.2758 33 D 4.5115 8.0806 120.9187 54.2301 41.9327 176.1184 34 V 4.5597 8.3659 123.4562 62.5219 32.5893 174.8983 35 I 4.9595 9.2962 120.4239 59.3140 42.0284 173.2224 36 E 5.4444 9.0427 122.4915 54.5028 32.2765 174.3682 37 A 5.7033 9.4634 127.7615 50.5590 23.3054 174.4226 38 T 5.6922 9.3173 113.1793 59.5395 70.8255 174.3121 39 D 4.9667 8.7848 123.6114 52.3702 40.3585 177.4752 40 G 2.7128 8.3489 108.8666 45.7254 0.0000 174.2400 41 N 5.0574 8.8003 115.9797 53.0109 39.1635 175.7521 42 G 4.0268 8.7203 107.2491 45.9376 0.0000 173.6995 43 F 4.8257 8.2104 118.2020 55.7848 41.8331 174.4297 44 S 5.2224 8.8551 116.8004 56.7698 65.0423 172.2613 45 Y 5.2297 9.3873 124.1953 56.6039 41.1880 174.5170 46 T 5.0043 9.0913 121.7952 62.6709 70.4173 173.8564 47 C 5.4201 9.5154 123.4495 58.3104 33.5004 172.8919 48 I 4.8141 8.5898 122.1486 59.3181 39.0111 175.1714 49 L 4.1736 8.8143 130.4977 55.7332 42.5185 176.3346 50 K 4.2529 9.0195 125.1877 57.7053 33.7638 176.2567 51 S 4.7677 7.8849 113.9997 56.2366 65.3581 172.0068 52 L 4.6668 8.4367 127.5564 53.5653 44.3871 175.0473 53 K 4.6601 8.9153 127.9334 54.6004 35.6586 177.0303 54 K 3.9196 8.7475 122.7636 58.5721 31.1004 175.0908 55 K 4.7683 7.8073 120.0741 54.9486 33.2283 176.9692 56 T 4.7710 7.5795 108.9340 62.4526 72.2255 171.7823 57 A 5.1400 8.7329 122.0571 51.4730 23.5169 174.9186 58 A 5.3413 8.7008 118.9667 51.0653 23.0955 175.5852 59 A 5.0569 9.1572 122.3978 49.9630 23.2953 175.0943 60 K 4.4472 9.0596 122.9041 55.7583 33.6931 176.1860 61 I 4.3287 8.5190 129.1288 61.8546 37.1913 175.4660 62 V 4.2119 9.2605 127.0056 64.0116 32.8277 175.8336 63 K 4.7494 7.9302 120.2016 54.5088 35.8860 174.5533 64 V 4.8414 8.4723 125.2796 61.1064 34.4514 174.3296 65 E 4.6560 8.7468 126.0821 54.1336 33.2493 174.5990 66 E 3.4900 8.8930 125.8474 56.2785 29.4692 175.7862 67 K 4.1456 8.9214 129.7809 57.1998 33.9625 176.4910 68 E 4.5489 7.6830 120.5328 55.2073 33.5030 174.9530 69 K 4.5052 8.3071 126.1873 52.7374 34.5160 174.7585 70 E 4.1627 8.4928 114.9598 56.1927 30.1033 176.2856 71 P 4.6237 0.0000 0.0000 61.8433 32.5027 176.7392 72 T 4.0309 8.5465 117.4419 65.6076 68.4198 174.8770 73 E 4.6354 8.0171 119.5285 54.2104 31.7681 174.7150 74 K 4.6422 8.1156 122.5487 55.1066 34.5575 175.2876 75 L 4.7489 8.9035 125.9426 53.7731 43.7840 175.2381 76 S 5.3634 8.9364 122.4298 56.7668 66.3691 173.3481 77 V 4.8667 8.6926 122.4834 61.1525 34.9916 174.4263 78 V 4.6397 9.0632 128.4368 61.9592 32.8366 174.5614 79 V 4.7260 8.8021 130.0675 60.7674 32.9432 173.3660 80 P 5.3895 0.0000 0.0000 63.0897 32.2213 176.3500 81 I 4.1357 9.1922 125.3536 61.4695 36.8656 175.0788 82 G 3.9061 8.2892 119.1256 43.4584 0.0000 171.4633 83 R 3.8279 8.4083 118.4345 56.2855 31.7713 177.1675 84 W 4.4092 8.9312 132.0860 60.8722 30.6486 178.1649 85 E 3.9411 8.1676 117.9879 59.1801 28.9172 179.4840 86 R 4.0377 7.7051 117.6962 59.5430 30.2888 178.9312 87 T 3.8957 7.7673 115.4902 66.5653 68.4201 176.7010 88 R 3.2064 7.4097 120.8176 58.9597 29.9712 178.1028 89 F 3.9945 7.7134 120.5510 61.4027 39.2806 177.1764 90 L 3.7768 8.1089 118.2893 57.7951 41.5474 179.3708 91 I 3.6405 7.6584 119.7388 64.5716 37.0641 178.3082 92 E 3.8330 8.0795 119.1612 59.3363 29.2066 179.6327 93 K 3.7658 7.6745 118.4539 59.4034 32.1154 179.1456 94 C 3.9971 8.1023 117.2730 62.6639 27.8828 176.3091 95 V 3.4666 7.5253 119.4920 66.0247 30.9234 177.5702 96 E 3.9015 7.8546 117.4561 58.9034 29.4328 177.8165 97 L 4.5430 7.7325 116.3891 54.0978 41.9445 177.2141 98 G 3.8563 7.5959 106.0831 45.9281 0.0000 174.6120 99 V 3.6672 7.3705 118.8441 63.0625 32.2949 175.7173 100 D 4.7005 9.0089 126.4251 56.0542 42.5792 176.4676 101 E 4.9330 7.9359 116.9761 54.5432 33.9492 174.6116 102 I 4.6412 8.3539 125.2462 59.4849 39.8746 174.5819 103 F 5.0195 8.8212 125.1034 55.6489 42.1997 174.1552 104 F 5.4577 9.3375 123.8000 56.7036 40.4268 174.3583 105 H 5.1739 9.3648 124.1848 54.1087 32.8594 172.5539 106 K 4.7611 8.4241 127.0480 55.0494 32.3924 176.2132 107 F 4.5143 8.9130 126.6170 56.8728 39.8328 176.7087 108 E 4.0620 9.9777 122.7630 59.7660 29.2271 178.8410 109 R 4.2684 8.0979 114.5473 56.6325 30.5529 175.8216 110 S 4.8325 7.9576 113.3932 56.8947 63.9005 173.5145 111 Q 4.5856 8.5136 124.1947 56.0439 29.0207 175.4546 112 H 4.6404 8.0305 116.0290 55.3411 29.6462 174.1832 113 E 4.8709 8.3885 118.8705 54.7021 33.3099 175.1151 114 I 4.4955 8.0900 119.4085 58.7194 41.0927 175.3279 115 S 4.4578 8.3454 121.1398 57.3546 63.1531 174.7137 116 L 3.8889 8.6285 131.5179 58.2736 41.9922 178.4571 117 D 4.4078 8.0637 118.6068 56.9667 40.8987 178.4324 118 K 3.9168 7.7466 120.0921 59.3126 32.0948 178.7673 119 A 4.2129 8.1100 121.1241 55.2268 18.2440 179.6972 120 K 3.9013 8.1775 116.9791 59.7422 32.0112 179.5984 121 I 3.6993 7.7684 119.8812 64.2190 36.9567 178.7309 122 V 3.5754 7.7157 118.8619 65.8323 31.3541 178.1123 123 V 3.3728 7.9537 118.3117 65.9386 31.2671 177.7144 124 R 3.0362 7.9277 118.5164 59.4540 29.9976 178.3301 125 E 3.8561 8.2758 118.1387 59.1160 29.3505 179.2064 126 A 3.8428 7.9634 120.5888 55.1163 18.5006 179.4522 127 A 3.7194 7.8494 119.5983 55.2567 18.4454 179.9939 128 K 3.8875 8.0094 117.0181 59.5952 31.8543 179.4065 129 Q 3.9904 7.6835 118.6491 58.9649 29.1236 177.1316 130 C 4.2752 7.9884 114.7962 58.6070 29.4842 173.3312 131 K 3.4231 7.1970 118.4818 57.3617 29.4747 176.3688 132 R 4.6149 7.7773 117.8887 54.9866 30.9020 174.9680 133 Y 4.2452 9.4465 125.0696 59.6668 39.3722 174.9925 134 L 5.0962 8.0718 120.8793 53.2430 43.0792 176.3886 135 F 4.9614 8.8616 126.1656 56.2840 39.8168 174.2659 136 P 4.6198 0.0000 0.0000 63.0713 31.8905 176.1921 137 K 4.3865 8.5047 120.6689 56.3620 33.6476 176.2740 138 V 4.6960 8.0746 114.6835 59.8948 34.9277 175.1626 139 S 4.6116 8.3417 118.9546 57.0591 67.8023 173.3056 140 F 5.3332 8.6861 119.8136 57.0197 40.3886 175.1960 141 L 4.7896 8.7120 122.8129 53.6798 43.7494 176.0705 142 E 4.2034 9.2170 127.5697 58.1383 30.1208 176.6736 143 K 4.5874 7.4753 115.3896 54.3936 36.0226 176.8758 144 L 3.8438 7.9853 122.8630 53.7941 39.9580 176.2657 145 E 4.2676 6.5703 117.3118 54.2617 33.1191 175.7457 146 F 4.9578 8.1619 120.2718 56.1733 43.3866 173.4606 147 S 4.7547 8.5074 115.6469 57.5696 65.6965 175.6418 148 G 3.7063 8.5337 109.0460 44.4296 0.0000 171.5789 149 N 4.4803 7.8396 118.8058 53.6211 39.9599 175.3412 150 V 4.8129 8.4202 125.7810 61.0318 35.0056 173.8533 151 I 4.9574 8.6460 127.9579 59.8265 40.2990 174.3918 152 T 4.8320 9.0107 124.0936 61.8207 70.8678 173.7054 153 L 4.6809 8.8605 129.9917 54.1268 42.3946 174.5950 154 D 4.7675 8.9394 127.2713 53.4632 41.4218 177.0430 155 L 4.0620 8.5359 127.0191 57.4388 41.9647 177.8608 156 D 4.5820 8.1404 115.6879 54.7870 41.3062 176.0759 157 A 4.5958 7.5305 122.1239 50.5979 22.2988 175.8992 158 S 4.3706 8.7105 120.1849 58.3890 63.3187 173.5195 *159 Q 4.5899 8.0207 123.6211 52.7556 31.8582 173.3408 160 N 4.5648 8.4098 113.3156 54.4066 38.5311 175.2787 161 L 3.8704 8.4257 128.9235 58.0875 42.4236 178.9652 162 L 4.0484 7.7507 118.5460 57.3696 41.8069 178.2957 163 D 4.5123 7.4955 116.4821 54.7660 40.2051 182.5149 164 A 4.1493 7.4253 120.0691 52.6081 18.8530 176.6044 165 N 4.5748 8.6059 120.4991 53.5184 39.6423 174.7294 166 L 4.7307 8.3028 123.3265 54.2341 42.8491 176.2850 167 E 3.7977 8.3463 118.7218 57.8882 29.7690 178.4389 168 G 3.8488 8.5060 112.2313 44.5531 0.0000 172.4256 169 S 4.2427 8.4505 113.4993 59.4217 63.8255 174.0279 170 I 4.8826 8.1820 116.6780 59.3725 40.5690 174.3563 171 T 4.8779 8.4193 122.2915 62.0749 70.5410 173.5733 172 V 4.5572 8.7318 127.2328 61.3037 33.9051 174.6627 173 V 4.6226 8.6097 128.7444 61.1158 32.6413 174.3972 174 V 4.1316 8.5107 129.2502 62.4585 31.8050 176.2671 175 G 3.3177 8.5284 115.8797 44.9028 0.0000 171.6223 176 P 4.3827 0.0000 0.0000 61.5730 32.3701 177.0363 177 E 3.6909 8.6655 120.5473 59.3017 29.4974 177.9890 178 G 3.7248 7.8936 104.2320 45.4009 0.0000 174.3945 179 G 3.8618 7.4557 104.9364 44.9925 0.0000 173.8140 180 F 4.6053 7.7963 118.7353 57.1239 39.6397 176.4162 181 S 4.5525 9.3933 120.6822 58.1138 65.1664 175.3458 182 E 4.0791 8.6433 120.5140 59.0178 29.1616 179.4035 183 K 3.9440 8.0413 119.4021 59.6438 32.3936 178.4815 184 E 4.0277 8.1041 118.3469 59.4551 29.3318 179.4637 185 R 3.7346 8.1925 121.1563 59.8988 30.2904 178.9641 186 E 3.9633 8.2394 118.1520 61.1255 29.4330 180.6262 187 L 4.1460 7.9506 121.6026 57.9055 42.2190 178.8650 188 L 4.2698 8.0098 118.3431 56.7840 41.4985 179.5541 189 R 3.8859 8.0727 118.3916 59.2548 30.1996 178.9908 190 S 4.3101 7.8408 111.8934 60.3245 63.0291 174.7861 191 S 4.6720 7.4489 114.8548 57.8195 64.3436 172.9670 192 T 4.8327 7.7694 109.6954 60.6351 72.5920 172.8768 193 T 4.5846 8.6291 117.7181 61.9812 70.6061 173.9319 194 I 4.9351 8.3614 127.2579 59.9689 39.2646 175.7052 195 V 4.5123 8.8283 119.4190 59.6113 36.0010 174.6811 *201 I 4.1279 8.3181 117.3671 60.6356 38.5761 175.3711 202 L 4.3170 8.2716 122.2439 53.6913 42.7990 176.9809 203 R 3.7310 8.4230 119.0044 56.6266 31.1267 176.3015 204 F 4.0694 9.0372 128.3246 62.0015 39.4781 177.4294 205 E 3.1792 7.8978 117.1666 59.1728 29.0801 179.5349 206 T 3.8125 7.6347 115.1425 66.5506 68.6961 176.3784 207 A 3.9395 8.1022 122.6387 55.2833 18.3374 179.6062 208 A 3.8986 7.8243 119.0999 55.1950 18.3746 180.0247 209 I 3.6005 7.5877 117.8732 64.4273 37.2019 178.4473 210 L 3.9648 8.2088 121.5519 58.3896 41.9436 179.1573 211 T 3.9036 8.0469 115.6654 66.8497 68.4433 177.1274 212 V 3.7545 7.9237 120.2867 65.8250 31.5258 178.3816 213 G 3.5505 8.3448 105.8491 47.6824 0.0000 175.1347 214 Y 4.1212 8.2511 121.9551 60.5492 38.7726 178.1613 215 I 3.3875 7.6680 119.9449 64.3322 37.2196 178.2010 216 A 3.9108 8.1472 121.6895 55.0300 18.1560 179.5111 217 L 3.8206 7.9019 117.3957 57.9704 41.5460 179.7093 218 K 3.7836 7.5372 117.9200 59.2373 32.1813 178.1212 219 K 4.1860 7.9604 115.5580 55.7056 32.2158 176.6568 220 Q 3.6208 7.7276 117.1341 56.8131 26.8819 175.3255 221 K 4.1692 8.3885 119.1806 58.1640 32.5668 177.6105 222 I 4.1498 7.4555 116.2909 60.8649 37.6704 174.9853 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 2 P 0.00 4.40 0.00 2.20 2.20 0.00 3.72 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.00 0.00 *3 H 8.30 4.17 0.00 2.92 2.53 0.00 7.20 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 L 8.72 4.68 0.00 1.53 1.42 1.11 0.37 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 5 F 8.90 5.07 0.00 3.28 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 6 Y 9.29 5.28 0.00 3.23 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 7 G 7.76 3.39 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 0.00 8 T 7.80 4.70 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 1.09 0.00 0.00 9 A 8.09 4.65 0.52 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 0.00 0.00 10 Q 9.18 4.29 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.19 0.00 0.00 0.00 0.00 0.00 2.05 2.18 0.00 11 N 9.85 4.13 0.00 2.80 2.87 0.00 0.00 7.06 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 12 G 8.33 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 13 E 8.19 5.12 0.00 2.07 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 2.32 2.10 0.00 14 V 8.51 4.46 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.47 0.00 0.00 15 I 7.98 4.85 1.81 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 1.23 0.75 0.83 0.00 0.00 16 F 8.95 5.27 0.00 2.93 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 17 D 8.67 5.14 0.00 3.02 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 E 8.62 4.03 0.00 2.19 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 2.41 2.26 0.00 19 R 8.04 3.95 0.00 1.92 2.24 0.00 3.37 0.00 0.00 3.49 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.82 0.00 20 E 8.58 4.31 0.00 2.40 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 2.84 3.15 0.00 21 A 7.87 3.91 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 22 H 8.32 4.32 0.00 3.25 3.54 0.00 5.59 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 H 7.97 4.31 0.00 3.32 3.55 0.00 5.69 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *25 R 8.05 4.25 0.00 2.12 1.97 0.00 3.18 0.00 0.00 3.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 26 V 7.74 3.55 2.28 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 0.76 0.00 0.00 0.85 0.00 0.00 27 V 7.71 3.67 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 0.86 0.00 0.00 1.03 0.00 0.00 28 R 7.40 3.92 0.00 2.02 1.87 0.00 3.32 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.45 0.00 29 L 7.72 4.52 0.00 1.48 1.53 0.61 0.92 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 30 K 8.63 4.50 0.00 1.89 1.83 0.00 1.30 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.64 7.81 31 E 8.54 4.24 0.00 2.01 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 2.23 1.88 0.00 32 G 8.42 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 33 D 8.08 4.51 0.00 2.70 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 34 V 8.37 4.56 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 0.89 0.00 0.00 0.96 0.00 0.00 35 I 9.30 4.96 2.13 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.19 0.91 0.00 0.00 36 E 9.04 5.44 0.00 2.16 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 2.48 2.43 0.00 37 A 9.46 5.70 1.55 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 0.00 0.00 38 T 9.32 5.69 4.49 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 0.00 0.00 0.00 1.46 0.00 0.00 39 D 8.78 4.97 0.00 2.78 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 40 G 8.35 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 0.00 0.00 0.00 41 N 8.80 5.06 0.00 2.89 2.91 0.00 0.00 7.19 7.22 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 42 G 8.72 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 0.00 0.00 0.00 43 F 8.21 4.83 0.00 3.26 2.44 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 44 S 8.86 5.22 0.00 3.49 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 45 Y 9.39 5.23 0.00 3.00 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 46 T 9.09 5.00 4.31 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 1.27 0.00 0.00 47 C 9.52 5.42 0.00 2.90 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 48 I 8.59 4.81 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.76 0.96 0.00 0.00 49 L 8.81 4.17 0.00 1.67 1.48 0.80 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.02 4.25 0.00 1.75 1.81 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.51 7.81 51 S 7.88 4.77 0.00 3.86 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 52 L 8.44 4.67 0.00 1.50 1.42 0.78 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 53 K 8.92 4.66 0.00 2.10 1.69 0.00 1.89 0.00 0.00 1.74 0.00 0.00 2.80 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.35 1.21 7.81 54 K 8.75 3.92 0.00 1.77 1.72 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.37 1.02 7.81 55 K 7.81 4.77 0.00 1.43 1.80 0.00 1.80 0.00 0.00 1.87 0.00 0.00 2.83 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.36 0.98 7.81 56 T 7.58 4.77 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 57 A 8.73 5.14 1.12 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 58 A 8.70 5.34 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 0.00 0.00 0.00 0.00 0.00 0.00 59 A 9.16 5.06 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 60 K 9.06 4.45 0.00 1.83 1.70 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.42 7.81 61 I 8.52 4.33 1.91 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 1.11 0.66 1.09 0.00 0.00 62 V 9.26 4.21 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 0.75 0.00 0.00 0.97 0.00 0.00 63 K 7.93 4.75 0.00 1.84 1.59 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.77 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.42 7.81 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0.00 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 73 E 8.02 4.64 0.00 2.11 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 2.23 2.27 0.00 74 K 8.12 4.64 0.00 1.87 1.78 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.83 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.55 7.81 75 L 8.90 4.75 0.00 1.74 1.51 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 76 S 8.94 5.36 0.00 3.85 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 77 V 8.69 4.87 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 1.08 0.00 0.00 0.92 0.00 0.00 78 V 9.06 4.64 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 1.05 0.00 0.00 79 V 8.80 4.73 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 1.23 0.00 0.00 0.92 0.00 0.00 80 P 0.00 5.39 0.00 2.28 2.23 0.00 4.01 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.23 0.00 81 I 9.19 4.14 2.04 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.85 1.06 0.00 0.00 82 G 8.29 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 83 R 8.41 3.83 0.00 1.75 2.00 0.00 3.13 0.00 0.00 3.27 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.62 0.00 84 W 8.93 4.41 0.00 3.42 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 85 E 8.17 3.94 0.00 2.05 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 0.00 2.44 2.55 0.00 86 R 7.71 4.04 0.00 1.86 1.79 0.00 2.72 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 1.39 0.00 87 T 7.77 3.90 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 1.28 0.00 0.00 88 R 7.41 3.21 0.00 0.67 1.34 0.00 3.17 0.00 0.00 2.94 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.47 0.00 89 F 7.71 3.99 0.00 3.21 3.39 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 90 L 8.11 3.78 0.00 1.83 1.74 1.17 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 91 I 7.66 3.64 1.96 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 1.81 1.33 0.92 0.00 0.00 92 E 8.08 3.83 0.00 2.00 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 0.00 2.22 2.33 0.00 93 K 7.67 3.77 0.00 1.58 1.56 0.00 1.06 0.00 0.00 0.61 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.50 1.17 7.81 94 C 8.10 4.00 0.00 3.05 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 95 V 7.53 3.47 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 0.84 0.00 0.00 96 E 7.85 3.90 0.00 2.09 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 2.26 2.28 0.00 97 L 7.73 4.54 0.00 1.64 1.61 0.84 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 98 G 7.60 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 99 V 7.37 3.67 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 0.82 0.00 0.00 0.89 0.00 0.00 100 D 9.01 4.70 0.00 2.75 2.69 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 0.00 101 E 7.94 4.93 0.00 1.93 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 2.25 2.37 0.00 102 I 8.35 4.64 1.47 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 1.07 0.57 0.23 0.00 0.00 103 F 8.82 5.02 0.00 2.94 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 0.00 104 F 9.34 5.46 0.00 3.10 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 0.00 105 H 9.36 5.17 0.00 3.19 2.98 0.00 5.57 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 K 8.42 4.76 0.00 1.83 1.68 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.42 1.69 7.81 107 F 8.91 4.51 0.00 3.25 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 0.00 108 E 9.98 4.06 0.00 2.05 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 2.40 2.38 0.00 109 R 8.10 4.27 0.00 1.85 1.99 0.00 3.49 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 110 S 7.96 4.83 0.00 3.96 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 0.00 111 Q 8.51 4.59 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.82 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 112 H 8.03 4.64 0.00 3.39 3.33 0.00 5.79 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 E 8.39 4.87 0.00 1.91 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 2.20 2.20 0.00 114 I 8.09 4.50 1.85 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.93 0.84 0.00 0.00 115 S 8.35 4.46 0.00 3.85 3.59 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 0.00 116 L 8.63 3.89 0.00 1.79 1.64 0.31 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 117 D 8.06 4.41 0.00 2.72 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 0.00 118 K 7.75 3.92 0.00 1.62 1.75 0.00 0.61 0.00 0.00 0.68 0.00 0.00 2.52 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.22 1.27 7.81 119 A 8.11 4.21 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 0.00 120 K 8.18 3.90 0.00 2.02 1.89 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.72 7.81 121 I 7.77 3.70 2.06 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.82 0.94 0.00 0.00 122 V 7.72 3.58 2.30 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 0.95 0.00 0.00 1.23 0.00 0.00 123 V 7.95 3.37 2.13 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 0.75 0.00 0.00 0.96 0.00 0.00 124 R 7.93 3.04 0.00 1.66 1.90 0.00 3.13 0.00 0.00 3.42 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.00 0.00 125 E 8.28 3.86 0.00 1.95 1.93 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 2.51 2.47 0.00 126 A 7.96 3.84 1.22 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 0.00 127 A 7.85 3.72 0.71 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 0.00 128 K 8.01 3.89 0.00 1.90 1.91 0.00 1.91 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.76 1.61 7.81 129 Q 7.68 3.99 0.00 2.42 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.89 0.00 0.00 0.00 0.00 0.00 2.37 2.27 0.00 130 C 7.99 4.28 0.00 2.89 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 0.00 131 K 7.20 3.42 0.00 1.98 1.78 0.00 1.62 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.49 7.81 132 R 7.78 4.61 0.00 1.75 1.81 0.00 3.25 0.00 0.00 3.20 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.79 0.00 133 Y 9.45 4.25 0.00 3.02 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 0.00 134 L 8.07 5.10 0.00 1.66 1.80 1.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 135 F 8.86 4.96 0.00 2.84 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 0.00 136 P 0.00 4.62 0.00 2.00 2.23 0.00 3.74 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.94 0.00 137 K 8.50 4.39 0.00 1.60 1.68 0.00 1.63 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.54 7.81 138 V 8.07 4.70 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 0.74 0.00 0.00 0.93 0.00 0.00 139 S 8.34 4.61 0.00 3.43 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 F 8.69 5.33 0.00 3.06 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 0.00 141 L 8.71 4.79 0.00 1.87 1.70 0.81 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 142 E 9.22 4.20 0.00 1.98 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 2.28 2.38 0.00 143 K 7.48 4.59 0.00 1.60 1.49 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.27 1.37 7.81 144 L 7.99 3.84 0.00 1.50 1.57 1.04 0.80 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 0.00 145 E 6.57 4.27 0.00 1.61 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 2.03 2.07 0.00 146 F 8.16 4.96 0.00 2.95 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 0.00 147 S 8.51 4.75 0.00 3.94 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 0.00 148 G 8.53 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 0.00 149 N 7.84 4.48 0.00 2.81 2.82 0.00 0.00 7.04 7.59 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 0.00 150 V 8.42 4.81 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 0.52 0.00 0.00 0.74 0.00 0.00 151 I 8.65 4.96 1.86 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.95 0.98 0.00 0.00 152 T 9.01 4.83 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 153 L 8.86 4.68 0.00 1.82 1.77 1.00 0.88 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 0.00 154 D 8.94 4.77 0.00 3.11 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 0.00 155 L 8.54 4.06 0.00 1.60 1.73 1.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 156 D 8.14 4.58 0.00 2.65 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 A 7.53 4.60 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 0.00 158 S 8.71 4.37 0.00 3.84 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *159 Q 8.02 4.59 0.00 2.05 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.93 0.00 0.00 0.00 0.00 0.00 2.16 1.87 0.00 160 N 8.41 4.56 0.00 2.73 2.75 0.00 0.00 6.54 6.66 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 0.00 161 L 8.43 3.87 0.00 1.70 1.48 1.01 0.52 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 0.00 162 L 7.75 4.05 0.00 1.58 1.63 0.79 0.20 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 0.00 163 D 7.50 4.51 0.00 2.74 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 0.00 164 A 7.43 4.15 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 165 N 8.61 4.57 0.00 2.68 2.73 0.00 0.00 6.85 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 L 8.30 4.73 0.00 1.60 1.56 0.83 0.97 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 0.00 167 E 8.35 3.80 0.00 1.95 1.90 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 2.48 2.27 0.00 168 G 8.51 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 0.00 169 S 8.45 4.24 0.00 3.79 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 0.00 170 I 8.18 4.88 1.83 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 1.23 0.92 0.92 0.00 0.00 171 T 8.42 4.88 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 0.74 0.00 0.00 172 V 8.73 4.56 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 0.91 0.00 0.00 0.91 0.00 0.00 173 V 8.61 4.62 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 1.26 0.00 0.00 0.76 0.00 0.00 174 V 8.51 4.13 2.32 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 0.88 0.00 0.00 0.99 0.00 0.00 175 G 8.53 3.32 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 0.00 176 P 0.00 4.38 0.00 2.06 1.84 0.00 2.24 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 1.64 1.47 0.00 177 E 8.67 3.69 0.00 1.75 1.91 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 2.18 2.13 0.00 178 G 7.89 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 G 7.46 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 0.00 180 F 7.80 4.61 0.00 3.10 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 0.00 181 S 9.39 4.55 0.00 4.11 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 0.00 182 E 8.64 4.08 0.00 2.16 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 2.40 1.93 0.00 183 K 8.04 3.94 0.00 1.86 1.85 0.00 1.75 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.55 7.81 184 E 8.10 4.03 0.00 2.46 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 0.00 2.53 2.48 0.00 185 R 8.19 3.73 0.00 2.15 1.94 0.00 3.15 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 186 E 8.24 3.96 0.00 2.03 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 2.19 0.00 187 L 7.95 4.15 0.00 1.93 1.76 0.87 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 188 L 8.01 4.27 0.00 1.50 1.51 0.31 0.93 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 0.00 189 R 8.07 3.89 0.00 1.99 1.97 0.00 3.28 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.51 0.00 190 S 7.84 4.31 0.00 4.05 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 S 7.45 4.67 0.00 4.07 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 0.00 192 T 7.77 4.83 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 1.26 0.00 0.00 193 T 8.63 4.58 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 1.22 0.00 0.00 194 I 8.36 4.94 1.89 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.53 1.00 0.00 0.00 195 V 8.83 4.51 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 0.74 0.00 0.00 0.96 0.00 0.00 *201 I 8.32 4.13 1.87 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 1.41 0.55 0.91 0.00 0.00 202 L 8.27 4.32 0.00 1.64 1.61 0.89 0.87 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 0.00 203 R 8.42 3.73 0.00 1.85 1.80 0.00 3.22 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 204 F 9.04 4.07 0.00 3.09 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 0.00 205 E 7.90 3.18 0.00 1.72 1.46 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 1.47 2.05 0.00 206 T 7.63 3.81 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 1.18 0.00 0.00 207 A 8.10 3.94 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 0.00 208 A 7.82 3.90 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 0.00 209 I 7.59 3.60 2.07 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.72 0.91 0.00 0.00 210 L 8.21 3.96 0.00 1.85 1.64 0.92 0.75 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 0.00 211 T 8.05 3.90 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 1.25 0.00 0.00 212 V 7.92 3.75 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 1.06 0.00 0.00 0.94 0.00 0.00 213 G 8.34 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 0.00 0.00 0.00 214 Y 8.25 4.12 0.00 3.09 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 0.00 215 I 7.67 3.39 1.99 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 1.47 0.61 0.86 0.00 0.00 216 A 8.15 3.91 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 0.00 217 L 7.90 3.82 0.00 1.91 1.61 0.96 0.50 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 0.00 218 K 7.54 3.78 0.00 1.30 1.55 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.19 1.37 7.81 219 K 7.96 4.19 0.00 1.78 1.78 0.00 1.88 0.00 0.00 1.64 0.00 0.00 3.10 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.56 7.81 220 Q 7.73 3.62 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 7.02 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 221 K 8.39 4.17 0.00 1.77 1.96 0.00 1.83 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.48 7.81 222 I 7.46 4.15 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 1.24 0.63 0.88 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.