NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3160 8.2649 123.5822 52.0571 19.2229 174.7407 2 T 4.3937 7.5936 117.2414 60.5312 71.6568 172.8893 3 L 4.1747 9.4587 127.2402 57.8322 41.9099 179.6856 4 K 4.1112 7.9767 118.0938 59.4347 32.2523 178.6723 5 D 4.3617 8.0431 118.3386 57.6217 40.8171 178.5454 6 I 3.7591 8.3743 120.4748 65.2065 37.1791 178.5584 7 T 3.8141 7.8434 116.1810 66.4250 68.1110 176.7488 8 R 3.8832 8.2543 121.0171 59.4756 30.1352 178.8730 9 R 3.9017 8.4219 118.1675 59.2756 30.0601 178.8486 10 L 3.9552 8.1115 119.0200 57.6684 41.7547 179.3215 11 K 3.8162 8.1409 119.6884 59.8310 32.2780 178.9053 12 S 4.3183 7.9188 113.5480 60.9153 63.0109 176.0876 13 I 3.9367 7.7378 123.5622 63.6535 37.1183 178.2326 14 K 4.0368 8.2661 119.7348 59.2335 31.7941 179.2369 15 N 4.3240 7.8013 115.6739 56.2415 38.4778 177.2236 16 I 3.6387 7.5082 120.8102 64.6847 37.1987 177.9460 17 Q 3.9231 8.3837 120.3685 59.2701 28.8711 178.8627 18 K 3.9453 7.8552 118.8436 59.7503 32.2196 179.5355 19 I 3.7634 8.3258 120.2508 64.6660 36.8755 178.7238 20 T 3.9900 8.6943 117.2090 66.2289 68.4075 176.9065 21 K 3.9987 8.3708 122.0286 59.1519 32.1895 178.8937 22 S 4.0581 7.9739 113.3312 61.8368 62.4123 176.0629 23 M 4.0707 8.0652 121.2523 58.1392 31.5072 178.8413 24 K 3.9038 7.7900 119.4929 59.8594 32.4638 178.8685 25 M 4.0557 7.9037 118.5752 58.2022 31.8087 178.8004 26 V 3.5509 7.9289 118.1878 65.9619 31.6124 177.7439 27 A 3.9705 7.9467 120.0423 55.4093 18.3360 179.4754 28 A 3.5389 8.3813 118.9352 55.0121 18.3761 179.8399 29 A 3.9392 7.7839 119.1000 55.2649 18.6686 179.8786 30 K 3.8865 8.1772 117.1282 59.6525 32.0148 178.9186 31 Y 4.0409 8.9159 120.6144 60.6202 38.3341 177.7639 32 A 3.4936 7.7455 121.5505 55.2370 18.4341 179.6419 33 R 3.7270 7.7702 116.5051 59.4031 30.1447 178.5912 34 A 3.8423 7.8992 120.7143 55.0071 18.1335 179.0764 35 E 3.5038 8.0457 117.2967 59.3230 29.8086 179.2124 36 R 3.9850 7.4394 117.3359 59.3848 29.9336 178.8284 37 E 4.1583 8.0676 118.0468 59.0378 29.4280 179.1430 38 L 4.0782 7.7191 119.9987 57.3569 41.5168 178.2851 39 K 3.9203 8.3741 120.7900 59.0653 32.1105 176.7056 40 P 4.3030 0.0000 0.0000 65.8889 31.1038 177.7526 41 A 4.2606 7.6995 119.7190 55.2008 17.8160 179.4898 42 R 4.6297 8.2382 116.1341 59.6990 30.2283 179.0745 43 V 3.7726 7.6300 116.6772 66.4877 31.4330 177.5683 44 Y 4.0889 8.7327 119.2840 60.8029 38.8826 178.2179 45 G 3.3550 9.3252 107.8825 47.7234 0.0000 175.8448 46 V 3.5473 8.6461 120.5530 65.2799 31.6994 178.1658 47 G 3.6536 8.0043 105.7337 47.9146 0.0000 175.4530 48 S 3.9862 7.6257 114.7833 60.9704 62.4727 175.6916 49 L 4.6727 7.7709 119.2434 55.0776 41.7733 176.4918 50 A 4.5590 8.3060 121.9905 51.5176 18.0725 176.4289 51 L 5.1123 7.6419 134.5877 57.3899 42.6552 174.9245 52 Y 4.4425 7.8760 114.6420 60.8389 38.4480 176.7670 53 E 4.2720 8.2079 118.0168 59.2118 29.7342 178.8548 54 K 4.1412 8.1650 115.2700 57.5931 32.2029 176.6367 55 A 4.2440 7.8293 118.0306 51.6572 22.2889 175.6606 56 D 4.4621 8.4019 123.3912 54.4374 42.0257 177.1662 57 I 4.0467 7.5590 119.3689 60.8237 41.7424 173.5599 58 K 4.6316 7.8504 125.2687 55.6287 32.3631 178.9651 59 T 4.2518 8.1439 125.7410 63.6246 71.2572 170.8347 60 P 4.6545 0.0000 0.0000 62.0367 33.1930 175.0759 61 E 4.7377 8.1858 113.3707 56.7861 34.4075 176.3447 *67 L 4.2512 7.7693 124.0065 56.2308 43.6188 176.9631 68 I 4.6545 8.6304 128.7587 59.9044 39.1307 174.9428 69 I 4.7082 8.9439 129.3206 59.5587 39.2740 174.8435 70 G 4.4393 8.9517 115.3127 44.3528 0.0000 172.1253 71 V 4.9816 8.4797 125.4349 62.2234 34.0609 171.8752 72 S 4.6707 8.6906 126.0412 58.1757 70.0800 176.6676 73 S 4.6370 8.8923 117.1071 58.5227 65.9848 175.8357 74 D 4.6727 8.3875 117.2307 55.3118 42.3217 177.3696 75 R 4.3628 7.5562 118.1427 54.9570 31.4553 176.5144 76 G 4.0583 8.3202 115.3359 45.8549 0.0000 172.7217 77 L 3.7295 8.6748 114.7135 56.1231 38.8608 174.0625 78 C 4.8826 7.3834 108.5680 57.7397 31.2237 176.1420 79 G 3.9183 8.0878 115.9472 48.3153 0.0000 174.8777 80 A 4.8038 7.9937 126.2346 51.4269 19.5923 179.5689 81 I 3.3916 7.5639 122.1501 66.4923 37.0884 177.9203 82 H 4.2372 7.8152 116.2646 58.9797 28.7925 177.6604 83 S 4.1554 8.2360 115.5588 61.8700 62.4468 176.4523 84 S 4.1256 8.1119 118.3438 61.5789 62.5828 176.9901 85 V 3.5957 7.4445 113.9197 64.3461 31.2598 178.4179 86 A 3.9910 8.1510 120.4581 55.1262 18.1305 179.2260 87 K 3.7578 8.5805 118.3474 60.1420 32.2643 178.6584 88 Q 4.0493 8.1754 119.0753 58.9718 28.8505 177.9296 89 M 4.1065 8.3184 120.8875 58.0597 32.0075 178.7111 90 K 4.0215 8.4284 119.4737 59.9277 32.7606 178.9240 91 S 4.0690 7.8605 114.2902 61.4309 62.2126 175.9802 92 E 3.8835 8.1265 120.2316 59.3343 29.0694 178.9417 93 A 3.9551 7.6974 119.6536 55.7032 18.3689 179.2228 94 A 4.0740 7.8117 118.4957 55.1002 18.7619 179.2218 95 N 4.3107 8.0807 114.6626 54.7800 38.9656 175.0086 96 L 4.7115 6.9995 118.7564 52.6722 44.7281 176.1727 *101 K 4.1452 8.3288 118.7891 56.3883 33.0302 175.8002 102 E 4.3626 8.9022 125.1063 55.8574 30.9596 175.7028 103 V 4.4765 8.2466 122.7566 60.8960 33.9903 174.9224 104 K 4.6291 8.2415 124.8404 55.0758 36.6333 175.0853 105 I 5.1752 8.1100 122.9951 59.7662 42.0772 174.3246 106 I 4.8468 8.2629 123.8722 58.4178 41.6956 174.6221 107 G 4.1963 8.3904 112.5054 44.4815 0.0000 171.7345 108 V 4.6394 8.7544 120.2941 61.9352 33.6683 176.2393 109 G 4.1147 9.3223 115.3328 45.6219 0.0000 173.1724 110 D 4.3712 10.0338 126.5327 57.5401 41.6675 178.8667 111 K 3.8450 8.1173 118.2988 59.8057 32.0454 179.2342 112 I 3.7854 7.8553 119.8222 64.2510 36.8623 178.0931 113 R 4.3933 7.8304 117.0123 58.2024 29.9976 177.3974 114 S 4.6600 7.8822 112.2989 60.2238 64.5494 174.3215 115 I 4.0998 7.8641 123.0362 62.7640 36.6770 176.6505 116 L 4.4943 7.4336 122.2856 55.1065 43.0272 178.1781 117 H 4.0521 9.6993 118.6111 57.0410 28.8136 176.6297 118 R 3.8704 8.6823 118.3334 59.7063 31.1565 177.4879 119 T 3.8111 7.8203 111.2867 65.1276 67.7476 173.4704 120 H 4.9066 9.0768 116.2451 54.5658 29.5785 173.3212 121 S 2.8137 7.4370 117.5282 60.6898 63.1338 175.6832 122 D 4.6092 7.7544 114.2436 55.2280 39.8511 176.1752 123 Q 4.7185 8.2453 118.8553 55.9526 29.3925 174.4513 124 F 5.5501 8.3903 115.4805 56.0682 42.4741 175.4574 125 L 4.5877 8.2132 120.2436 56.7115 44.4030 176.4131 126 V 4.3032 7.2524 108.9559 61.2552 36.2458 172.3400 127 T 4.7651 7.4593 116.5548 62.4628 72.5692 173.5644 128 F 4.8795 9.0843 122.1408 55.6155 42.9360 174.0482 129 K 4.7382 8.4018 121.7168 54.6916 35.8588 174.4577 130 E 3.6835 8.8524 118.8024 57.8507 26.5022 175.3570 131 V 4.2277 7.7775 117.9979 62.2880 33.6802 174.4380 132 G 4.0634 9.1843 117.8419 46.6898 0.0000 175.2063 133 R 4.0039 8.1781 117.7688 58.7341 30.2956 176.8448 134 R 4.5968 7.5108 114.9714 53.3667 31.9881 174.5832 135 P 4.2467 0.0000 0.0000 62.0466 31.8537 174.7862 136 P 4.5226 0.0000 0.0000 63.2811 32.0449 175.9997 137 T 4.9135 8.7378 115.5963 60.9125 73.7045 175.0472 138 F 4.1366 8.9502 124.1209 61.5043 39.1601 177.3512 139 G 3.7762 8.2927 104.8136 48.2039 0.0000 175.1697 140 D 4.2856 7.9377 120.4337 56.9251 40.8420 178.4779 141 A 3.8137 7.7682 121.5648 55.0609 18.2722 179.8631 142 S 3.8230 8.1025 113.1779 61.2530 63.0281 177.0171 143 V 3.5638 7.3598 121.7775 65.7593 31.3155 178.0696 144 I 3.2317 7.4880 119.3061 64.0659 36.7981 178.1873 145 A 3.9130 7.9862 121.6543 55.1525 18.1788 179.3566 146 L 3.9239 8.1688 117.7975 58.2968 41.5879 179.4359 147 E 3.9776 8.4411 117.7707 59.1869 29.7091 178.5676 148 L 4.2090 7.7770 119.7829 58.1418 42.1336 178.7048 149 L 4.2084 8.0733 117.6776 58.0068 41.7008 177.7885 150 N 4.8324 8.5535 114.6376 53.2107 38.0611 174.7986 151 S 4.8694 8.4121 114.2045 56.6383 65.1934 174.5814 152 G 3.9117 8.6497 109.6390 46.1523 0.0000 173.5581 153 Y 4.6122 7.4925 121.6861 56.0688 38.1234 176.1633 154 E 4.1600 8.1399 131.8541 54.4528 28.2016 177.6157 155 F 3.6931 7.4699 113.4609 57.5247 38.6863 175.8743 156 D 4.5062 8.6049 123.0157 56.2088 41.5954 176.4145 157 E 5.0712 7.9506 117.3810 55.1248 32.6136 174.4626 158 G 4.4143 8.7533 112.2026 44.5692 0.0000 170.9173 159 S 5.0587 8.9478 113.7850 56.2236 67.0170 172.7426 160 I 4.9081 8.9816 121.9507 59.4277 40.5734 173.9400 161 I 5.0612 9.3054 131.8930 59.6690 39.5212 174.9557 162 F 5.2145 8.2700 121.2169 56.1142 42.0023 172.4594 163 N 5.1694 8.7904 115.8846 51.6567 40.3006 174.7396 164 R 4.6344 8.7080 126.4083 55.3594 30.9370 175.6387 165 F 4.8198 8.3109 128.7014 59.2223 39.5405 175.0514 166 R 4.2092 7.4834 119.1552 56.1288 34.0343 175.3361 167 S 4.3435 6.5696 110.5260 57.5690 65.6226 178.3044 168 V 3.5493 8.7479 114.8055 63.7984 31.2797 177.3655 169 I 4.4712 6.9008 110.4571 59.7516 37.9455 175.0560 170 S 4.5402 8.1267 113.3983 58.4237 66.1496 173.6977 171 Y 5.3036 7.6217 118.8911 56.0214 41.4435 173.6872 172 K 4.5816 9.0389 120.4351 54.7897 35.6612 175.3037 173 T 4.5756 8.7130 124.4791 63.4736 69.0118 173.4348 174 E 4.6947 9.0150 125.3601 54.3648 34.0917 174.4852 175 E 5.2540 8.4870 119.0467 54.6358 33.1904 175.9061 176 K 4.7668 8.8582 121.8690 53.7792 36.0764 174.0895 177 P 4.3929 0.0000 0.0000 62.6809 32.1659 176.7428 178 I 4.1927 8.7127 124.3281 59.1972 37.0315 176.5043 179 F 4.7919 7.2871 119.5168 57.8503 38.6915 177.5497 180 S 4.1033 8.2314 118.6376 60.7257 62.4344 173.2130 181 L 3.6648 7.8931 121.8291 55.1092 41.6367 176.8182 182 D 4.4578 8.6955 126.8348 57.6111 41.5405 178.8374 183 T 3.8619 7.8915 114.9843 66.6099 68.7092 176.0341 184 I 3.8948 7.5892 120.0798 63.9695 37.8260 177.6462 185 S 4.5744 7.9504 111.3554 58.9498 63.1416 174.7988 186 S 4.6655 8.1833 116.6171 58.0384 63.1618 172.4531 187 A 4.7237 7.2959 123.2804 49.9135 22.3056 177.6995 188 E 3.9318 8.7813 117.5642 60.1178 29.5555 180.2264 189 S 4.0932 8.1930 114.0504 61.7893 62.7581 175.5468 190 M 4.4171 8.0220 118.9442 55.5107 31.6960 177.4840 191 S 4.4065 8.4966 113.3549 60.2048 63.8065 175.6830 192 I 3.6644 7.3659 121.5791 63.7952 36.8789 175.4549 193 Y 4.2849 7.5894 118.9277 56.7054 37.3306 174.4084 194 D 4.8099 8.3019 123.9526 53.3152 43.8189 174.4782 195 D 4.3944 8.6758 117.8375 55.8803 37.7843 175.5490 196 I 4.3725 7.5253 119.4183 59.1480 39.1428 175.7250 197 D 4.4284 8.5456 125.5723 54.1112 41.2229 178.0277 198 A 4.0117 8.6569 125.3689 54.6842 18.4248 178.0233 199 D 4.9256 7.9843 113.8099 54.1304 41.9671 178.3076 200 V 3.8121 7.9421 121.9209 64.3706 31.3254 178.4138 201 L 4.0254 7.8833 119.3334 57.6912 41.6682 178.8074 202 R 4.7102 8.1035 119.4758 59.1926 29.8039 178.0090 203 N 4.4337 7.8332 115.7969 56.2909 38.6010 176.7296 204 Y 4.0062 8.1757 121.0293 60.7826 38.9108 178.0833 205 Q 4.1297 9.3852 121.3490 59.3173 29.1109 177.6569 206 E 4.0190 8.0907 119.2182 59.7982 29.5647 178.8747 207 Y 4.1352 8.1378 119.2653 60.8362 39.0536 178.2886 208 S 4.1490 8.2010 114.5295 60.5948 63.0823 176.0291 209 L 3.9501 7.8999 124.6934 58.0529 41.8215 178.5450 210 A 3.8442 7.6178 120.8519 54.8755 18.1536 179.4158 211 N 4.6098 7.9978 115.2734 56.6158 38.6425 177.5043 212 I 3.7514 7.6383 119.6297 63.9585 38.0510 177.8083 213 I 3.5731 7.6140 119.2164 63.9278 37.6897 177.2118 214 Y 3.9024 8.1182 120.5303 60.7909 38.6952 177.1682 215 Y 4.0671 8.3305 120.7472 60.9286 38.7831 178.2455 216 S 2.7900 7.5676 114.7545 60.9488 62.6015 176.2180 217 L 3.6908 7.4217 123.7073 57.7716 40.9352 179.1776 218 K 3.7834 7.6703 118.4695 58.8882 31.8628 179.3790 219 E 4.0043 7.7022 119.2383 59.0805 29.3866 178.7703 220 S 4.0404 8.0163 113.6864 61.8778 62.3652 176.5405 221 T 3.9345 7.5561 112.0103 64.9538 68.2068 176.5399 222 T 3.7704 7.2728 119.1540 66.5021 68.4337 176.9285 223 S 4.2847 8.1015 117.1266 61.4771 62.7800 176.3774 224 E 3.7621 8.4458 122.3908 59.5039 29.3779 178.9776 225 Q 4.0320 8.4137 118.3203 58.4133 28.8070 178.3975 226 S 3.8654 7.9193 114.9316 60.3318 63.3101 176.1514 227 A 4.1684 7.8901 124.4678 54.5407 18.4184 179.4848 228 R 4.0404 8.1898 117.5976 59.5168 30.1297 178.3495 229 M 3.9833 7.8036 117.7912 58.9588 32.2611 178.3443 230 T 3.7882 7.7646 115.2997 66.7086 68.6708 176.4791 231 A 4.0207 8.4632 122.9465 55.5394 18.3934 179.3585 232 M 4.1203 8.4450 116.7656 57.4650 32.0290 178.5262 233 D 4.2294 7.9613 118.8966 57.5013 41.4409 177.4682 234 N 4.2393 8.1599 116.6631 56.3292 38.5314 176.8186 235 A 4.0109 8.1912 122.0657 55.6193 18.4750 179.8707 236 S 4.0774 8.0241 112.3225 61.6755 63.0858 176.8744 237 K 4.0437 8.2695 122.2531 58.9235 31.7753 179.2150 238 N 4.2820 8.9499 117.1423 56.2416 38.5085 176.7857 239 A 3.9436 8.2362 122.4508 55.7056 18.3271 179.5997 240 S 4.0552 8.0794 112.8194 61.8154 63.0073 176.8063 241 E 3.8939 8.0904 121.4923 59.5304 29.3428 178.4113 242 M 4.0233 8.5260 118.5246 58.7117 32.2296 178.1170 243 I 3.6824 8.2392 120.1084 64.6918 37.2753 178.1453 244 D 4.3801 8.3877 119.8941 57.0616 40.5789 178.9535 245 K 3.9215 8.1579 120.0950 59.5700 32.3583 178.8337 246 L 4.0759 8.2253 119.6522 58.1544 41.5159 179.7070 247 T 3.8697 7.9344 115.5086 66.8267 68.4988 176.7408 248 L 4.1093 7.8115 120.4132 58.0543 41.6029 179.7669 249 T 3.9426 8.4557 116.3523 66.3091 68.2830 176.5085 250 F 4.0396 8.7741 123.0511 61.4522 39.3595 177.0252 251 N 4.4115 8.4463 116.0750 56.2580 38.3682 177.5021 252 R 3.9002 7.9101 119.3845 59.7338 30.1594 179.2383 253 T 3.7818 7.8485 115.2175 66.5300 68.0276 176.6194 254 R 3.6396 7.9579 120.9645 59.5820 30.0230 178.6389 255 Q 3.9628 8.3444 117.8205 58.8380 28.6124 178.5409 256 A 3.9846 8.0734 121.9231 54.8521 18.2972 179.7906 257 V 3.5512 7.9023 116.9429 66.1966 31.5431 178.1759 258 I 3.7720 7.3304 118.8543 64.7601 36.9192 178.2389 259 T 3.8440 7.7963 116.3325 66.6911 68.3659 176.3711 260 K 3.8650 8.7344 122.1080 59.6642 32.1376 178.4423 261 E 3.9549 8.8664 120.2860 59.0420 29.4895 178.5560 262 L 3.9807 8.3437 121.0166 58.0744 42.1167 178.8557 263 I 3.7225 8.0354 120.0860 64.3021 36.9889 177.9812 264 E 3.9227 8.0469 119.7655 59.2610 29.4650 179.0320 265 I 3.7120 7.5223 119.9171 64.3879 37.1234 178.4409 266 I 3.7026 7.7694 120.5901 64.4601 36.9266 178.5010 267 S 4.2093 8.4256 116.4170 61.6818 62.4856 177.1028 268 G 3.6017 7.6904 106.0727 47.8514 0.0000 175.2657 269 A 4.1309 8.1700 123.2083 54.7755 18.1560 179.6192 270 A 4.0520 8.1509 118.4483 55.0030 18.5317 179.4689 271 A 4.0759 7.6897 118.2127 54.8262 18.4569 177.5152 272 L 4.1084 7.3229 120.5529 55.2435 41.6585 176.9040 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 A 8.26 4.32 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 T 7.59 4.39 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 1.21 0.00 0.00 3 L 9.46 4.17 0.00 1.68 1.82 0.75 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 4 K 7.98 4.11 0.00 1.79 1.87 0.00 1.72 0.00 0.00 1.84 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.48 7.81 5 D 8.04 4.36 0.00 2.81 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 I 8.37 3.76 2.18 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 1.73 1.04 1.13 0.00 0.00 7 T 7.84 3.81 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 8 R 8.25 3.88 0.00 1.97 2.15 0.00 3.10 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 1.63 1.68 0.00 9 R 8.42 3.90 0.00 2.02 1.97 0.00 3.21 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.88 0.00 10 L 8.11 3.96 0.00 1.76 1.67 0.77 1.16 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 11 K 8.14 3.82 0.00 1.88 2.06 0.00 1.62 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.45 7.81 12 S 7.92 4.32 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 13 I 7.74 3.94 1.86 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 1.52 0.73 0.91 0.00 0.00 14 K 8.27 4.04 0.00 1.83 1.84 0.00 1.78 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.45 7.81 15 N 7.80 4.32 0.00 2.80 2.85 0.00 0.00 6.93 7.20 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 16 I 7.51 3.64 2.01 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 0.83 0.91 0.00 0.00 17 Q 8.38 3.92 0.00 2.16 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.82 0.00 0.00 0.00 0.00 0.00 2.47 2.56 0.00 18 K 7.86 3.95 0.00 2.05 1.83 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.72 7.81 19 I 8.33 3.76 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 1.52 0.95 0.91 0.00 0.00 20 T 8.69 3.99 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 21 K 8.37 4.00 0.00 1.88 1.99 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.44 7.81 22 S 7.97 4.06 0.00 3.97 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 23 M 8.07 4.07 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.56 0.00 24 K 7.79 3.90 0.00 1.80 2.00 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.70 7.81 25 M 7.90 4.06 0.00 2.15 2.10 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 2.80 2.56 0.00 26 V 7.93 3.55 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 1.01 0.00 0.00 0.93 0.00 0.00 27 A 7.95 3.97 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 28 A 8.38 3.54 1.43 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 29 A 7.78 3.94 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 30 K 8.18 3.89 0.00 1.99 1.88 0.00 1.68 0.00 0.00 1.76 0.00 0.00 2.87 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.45 1.45 7.81 31 Y 8.92 4.04 0.00 2.97 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.75 3.49 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 R 7.77 3.73 0.00 1.86 2.01 0.00 3.06 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 34 A 7.90 3.84 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.05 3.50 0.00 1.22 1.63 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 1.84 2.24 0.00 36 R 7.44 3.99 0.00 1.96 1.90 0.00 3.14 0.00 0.00 3.12 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.74 0.00 37 E 8.07 4.16 0.00 1.96 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.44 0.00 38 L 7.72 4.08 0.00 1.76 1.83 1.02 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 39 K 8.37 3.92 0.00 1.89 1.94 0.00 1.64 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.55 7.81 40 P 0.00 4.30 0.00 2.35 2.33 0.00 3.87 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.05 0.00 41 A 7.70 4.26 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 42 R 8.24 4.63 0.00 2.19 2.19 0.00 3.31 0.00 0.00 3.28 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.03 0.00 43 V 7.63 3.77 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 1.05 0.00 0.00 1.00 0.00 0.00 44 Y 8.73 4.09 0.00 3.04 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 G 9.33 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 8.65 3.55 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 0.84 0.00 0.00 0.92 0.00 0.00 47 G 8.00 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 0.00 0.00 0.00 48 S 7.63 3.99 0.00 3.63 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 49 L 7.77 4.67 0.00 1.92 1.98 0.92 0.60 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 50 A 8.31 4.56 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 51 L 7.64 5.11 0.00 1.49 1.25 0.33 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 52 Y 7.88 4.44 0.00 3.18 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 53 E 8.21 4.27 0.00 2.17 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 0.00 2.43 2.44 0.00 54 K 8.17 4.14 0.00 1.79 1.91 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.48 7.81 55 A 7.83 4.24 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 56 D 8.40 4.46 0.00 2.65 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 57 I 7.56 4.05 0.56 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.56 0.09 0.00 0.00 58 K 7.85 4.63 0.00 1.67 1.02 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.33 1.36 7.81 59 T 8.14 4.25 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 60 P 0.00 4.65 0.00 2.18 2.10 0.00 3.95 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 1.99 1.98 0.00 61 E 8.19 4.74 0.00 2.12 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 2.10 2.04 0.00 *67 L 7.77 4.25 0.00 1.84 1.42 0.41 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 68 I 8.63 4.65 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 1.22 0.89 0.90 0.00 0.00 69 I 8.94 4.71 1.82 0.00 0.00 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 1.07 0.91 0.85 0.00 0.00 70 G 8.95 4.44 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 0.00 71 V 8.48 4.98 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.87 0.00 0.00 72 S 8.69 4.67 0.00 3.90 3.37 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 73 S 8.89 4.64 0.00 4.05 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 74 D 8.39 4.67 0.00 2.58 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 75 R 7.56 4.36 0.00 1.90 1.83 0.00 3.25 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.56 0.00 76 G 8.32 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 77 L 8.67 3.73 0.00 1.82 1.79 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 78 C 7.38 4.88 0.00 2.98 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 79 G 8.09 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 0.00 0.00 0.00 80 A 7.99 4.80 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 I 7.56 3.39 1.61 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.19 0.57 0.00 0.00 82 H 7.82 4.24 0.00 3.25 3.35 0.00 5.84 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 S 8.24 4.16 0.00 4.07 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 S 8.11 4.13 0.00 4.12 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 85 V 7.44 3.60 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 0.78 0.00 0.00 1.00 0.00 0.00 86 A 8.15 3.99 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 K 8.58 3.76 0.00 1.92 2.07 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.48 7.81 88 Q 8.18 4.05 0.00 2.16 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.59 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 89 M 8.32 4.11 0.00 2.11 2.33 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.55 0.00 90 K 8.43 4.02 0.00 2.02 2.13 0.00 1.35 0.00 0.00 1.60 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.64 1.46 7.81 91 S 7.86 4.07 0.00 3.87 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 92 E 8.13 3.88 0.00 2.02 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 2.52 2.55 0.00 93 A 7.70 3.96 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 7.81 4.07 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 95 N 8.08 4.31 0.00 2.73 2.94 0.00 0.00 7.05 8.02 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 96 L 7.00 4.71 0.00 1.54 1.59 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 *101 K 8.33 4.15 0.00 1.70 1.84 0.00 1.77 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.84 1.48 7.81 102 E 8.90 4.36 0.00 2.08 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 2.38 2.38 0.00 103 V 8.25 4.48 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 0.94 0.00 0.00 104 K 8.24 4.63 0.00 0.79 0.98 0.00 0.61 0.00 0.00 1.42 0.00 0.00 2.77 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.17 0.96 7.81 105 I 8.11 5.18 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 1.22 1.30 0.98 0.00 0.00 106 I 8.26 4.85 1.83 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 1.06 1.10 1.04 0.00 0.00 107 G 8.39 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 0.00 108 V 8.75 4.64 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 0.68 0.00 0.00 0.85 0.00 0.00 109 G 9.32 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 D 10.03 4.37 0.00 2.77 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 0.00 111 K 8.12 3.85 0.00 2.03 1.69 0.00 1.52 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.79 1.31 7.81 112 I 7.86 3.79 1.96 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.13 0.93 0.00 0.00 113 R 7.83 4.39 0.00 1.77 2.15 0.00 3.44 0.00 0.00 3.37 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.90 0.00 114 S 7.88 4.66 0.00 3.97 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 I 7.86 4.10 1.96 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 1.42 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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 0.00 0.00 0.00 166 R 7.48 4.21 0.00 1.74 1.70 0.00 3.27 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.69 0.00 167 S 6.57 4.34 0.00 3.93 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 0.00 168 V 8.75 3.55 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 0.63 0.00 0.00 0.94 0.00 0.00 169 I 6.90 4.47 1.83 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 1.33 0.50 0.89 0.00 0.00 170 S 8.13 4.54 0.00 3.69 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 0.00 171 Y 7.62 5.30 0.00 3.03 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 K 9.04 4.58 0.00 1.78 1.62 0.00 1.60 0.00 0.00 1.62 0.00 0.00 2.80 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.28 1.37 7.81 173 T 8.71 4.58 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 174 E 9.01 4.69 0.00 1.20 1.57 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 2.09 2.31 0.00 175 E 8.49 5.25 0.00 1.75 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 2.13 2.35 0.00 176 K 8.86 4.77 0.00 1.76 1.69 0.00 1.79 0.00 0.00 1.80 0.00 0.00 3.19 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.67 1.87 7.81 177 P 0.00 4.39 0.00 0.65 1.64 0.00 3.60 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.83 0.00 178 I 8.71 4.19 1.75 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.92 0.91 0.00 0.00 179 F 7.29 4.79 0.00 3.07 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 0.00 180 S 8.23 4.10 0.00 4.14 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 0.00 181 L 7.89 3.66 0.00 1.93 1.65 0.80 1.04 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 0.00 182 D 8.70 4.46 0.00 2.70 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 T 7.89 3.86 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 184 I 7.59 3.89 1.92 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.98 1.08 0.00 0.00 185 S 7.95 4.57 0.00 3.94 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 0.00 186 S 8.18 4.67 0.00 3.96 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 0.00 187 A 7.30 4.72 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 0.00 188 E 8.78 3.93 0.00 2.03 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 2.40 2.34 0.00 189 S 8.19 4.09 0.00 3.84 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 0.00 190 M 8.02 4.42 0.00 2.06 1.93 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.49 0.00 191 S 8.50 4.41 0.00 3.98 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 0.00 192 I 7.37 3.66 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 1.28 0.64 0.71 0.00 0.00 193 Y 7.59 4.28 0.00 2.90 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 0.00 194 D 8.30 4.81 0.00 2.61 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 195 D 8.68 4.39 0.00 2.89 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 0.00 196 I 7.53 4.37 1.84 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 1.36 0.76 0.85 0.00 0.00 197 D 8.55 4.43 0.00 2.77 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 0.00 198 A 8.66 4.01 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 0.00 199 D 7.98 4.93 0.00 2.70 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 0.00 200 V 7.94 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 0.86 0.00 0.00 0.96 0.00 0.00 201 L 7.88 4.03 0.00 1.73 1.88 0.98 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 202 R 8.10 4.71 0.00 2.05 2.14 0.00 3.43 0.00 0.00 3.44 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.71 0.00 203 N 7.83 4.43 0.00 2.93 2.88 0.00 0.00 6.67 7.36 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 0.00 204 Y 8.18 4.01 0.00 3.05 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 0.00 205 Q 9.39 4.13 0.00 2.16 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.50 0.00 0.00 0.00 0.00 0.00 2.50 2.80 0.00 206 E 8.09 4.02 0.00 2.36 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.55 0.00 207 Y 8.14 4.14 0.00 3.14 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 0.00 208 S 8.20 4.15 0.00 4.15 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 0.00 209 L 7.90 3.95 0.00 1.95 1.99 0.90 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 210 A 7.62 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 211 N 8.00 4.61 0.00 2.91 2.88 0.00 0.00 6.59 7.46 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 0.00 212 I 7.64 3.75 1.84 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.25 0.95 0.00 0.00 213 I 7.61 3.57 1.74 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.89 0.98 0.00 0.00 214 Y 8.12 3.90 0.00 3.02 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 215 Y 8.33 4.07 0.00 3.20 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 0.00 216 S 7.57 2.79 0.00 3.16 3.63 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 0.00 217 L 7.42 3.69 0.00 1.87 1.47 0.76 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 218 K 7.67 3.78 0.00 1.47 1.55 0.00 1.59 0.00 0.00 1.46 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.89 0.60 7.81 219 E 7.70 4.00 0.00 1.71 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 0.00 1.69 1.76 0.00 220 S 8.02 4.04 0.00 3.87 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 0.00 221 T 7.56 3.93 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 1.16 0.00 0.00 222 T 7.27 3.77 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 0.22 0.00 0.00 223 S 8.10 4.28 0.00 3.91 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 0.00 224 E 8.45 3.76 0.00 1.98 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 2.25 2.25 0.00 225 Q 8.41 4.03 0.00 2.22 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.56 0.00 0.00 0.00 0.00 0.00 2.56 2.51 0.00 226 S 7.92 3.87 0.00 3.54 3.28 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 0.00 227 A 7.89 4.17 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 0.00 228 R 8.19 4.04 0.00 1.88 1.98 0.00 3.11 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 229 M 7.80 3.98 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.57 0.00 230 T 7.76 3.79 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 1.20 0.00 0.00 231 A 8.46 4.02 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 0.00 232 M 8.44 4.12 0.00 2.24 2.17 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.89 0.00 233 D 7.96 4.23 0.00 2.98 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 0.00 234 N 8.16 4.24 0.00 2.97 2.85 0.00 0.00 6.96 7.70 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 0.00 235 A 8.19 4.01 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 0.00 236 S 8.02 4.08 0.00 4.08 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 237 K 8.27 4.04 0.00 1.92 1.89 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.42 0.00 0.00 0.00 0.00 1.46 1.74 7.81 238 N 8.95 4.28 0.00 2.84 2.86 0.00 0.00 6.81 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 239 A 8.24 3.94 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 0.00 240 S 8.08 4.06 0.00 4.03 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 0.00 241 E 8.09 3.89 0.00 2.07 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 0.00 2.31 2.32 0.00 242 M 8.53 4.02 0.00 2.22 2.05 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 2.60 2.59 0.00 243 I 8.24 3.68 2.07 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 1.71 0.64 0.89 0.00 0.00 244 D 8.39 4.38 0.00 2.82 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 0.00 245 K 8.16 3.92 0.00 1.85 2.05 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.49 7.81 246 L 8.23 4.08 0.00 1.72 1.75 0.93 0.67 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 0.00 247 T 7.93 3.87 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 248 L 7.81 4.11 0.00 1.82 1.74 0.93 1.20 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 0.00 249 T 8.46 3.94 4.46 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 1.23 0.00 0.00 250 F 8.77 4.04 0.00 3.12 3.26 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 0.00 251 N 8.45 4.41 0.00 2.86 2.90 0.00 0.00 7.07 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 0.00 252 R 7.91 3.90 0.00 2.02 1.97 0.00 3.13 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 253 T 7.85 3.78 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 254 R 7.96 3.64 0.00 1.43 1.93 0.00 3.15 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 255 Q 8.34 3.96 0.00 2.22 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.53 0.00 256 A 8.07 3.98 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 0.00 257 V 7.90 3.55 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 0.98 0.00 0.00 0.86 0.00 0.00 258 I 7.33 3.77 1.97 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 0.61 0.90 0.00 0.00 259 T 7.80 3.84 4.35 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 1.20 0.00 0.00 260 K 8.73 3.87 0.00 1.76 2.01 0.00 1.62 0.00 0.00 1.55 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.44 7.81 261 E 8.87 3.95 0.00 2.12 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 262 L 8.34 3.98 0.00 1.93 1.75 0.92 0.92 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 0.00 263 I 8.04 3.72 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 1.71 0.82 0.90 0.00 0.00 264 E 8.05 3.92 0.00 2.22 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 2.35 0.00 265 I 7.52 3.71 2.02 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 1.52 0.80 0.91 0.00 0.00 266 I 7.77 3.70 2.00 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 1.73 0.88 0.91 0.00 0.00 267 S 8.43 4.21 0.00 3.98 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 0.00 268 G 7.69 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 269 A 8.17 4.13 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 270 A 8.15 4.05 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 0.00 271 A 7.69 4.08 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 272 L 7.32 4.11 0.00 1.91 1.60 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.