NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.5224 8.1927 115.4187 58.1662 64.7051 173.2834 3 L 3.2474 8.5589 120.3974 57.6991 41.9021 177.5009 4 R 3.3294 7.9961 118.5098 59.6339 30.3149 178.0312 5 S 4.0014 7.6921 113.5945 61.1345 62.8941 176.1791 6 D 4.2465 7.7879 122.5679 56.9894 40.5977 178.1695 7 L 3.8031 8.3103 121.3989 58.1983 42.1006 179.1139 8 I 3.2762 7.4724 112.8800 63.9467 37.2344 177.9402 9 N 4.2697 7.7901 117.4963 55.7221 38.2866 177.3238 10 A 3.9224 8.1235 122.6088 55.0106 18.3749 179.5254 11 L 3.8061 8.1074 117.7253 58.1323 41.6701 179.1091 12 Y 4.4162 7.9745 116.7164 61.6955 37.9427 178.2980 13 D 4.3970 8.3496 119.4732 57.7397 40.9753 178.4572 14 E 4.0565 8.7179 119.5983 59.8504 29.3983 178.8105 15 N 4.8414 8.6490 118.4135 57.4108 39.0741 177.2307 *16 Q 4.2304 8.4801 124.5569 60.3118 28.3551 181.5592 *17 K 4.4691 7.9605 123.6889 57.1419 32.4301 179.1678 18 Y 5.2318 7.6039 114.1658 56.5901 41.2282 174.5885 19 D 5.0060 8.7422 122.9366 52.2625 43.2308 176.3432 20 V 3.7959 8.0770 118.7448 61.4861 31.7583 176.0177 21 C 4.6124 8.3809 117.3043 57.3033 31.2343 173.1771 22 G 4.0511 7.2303 105.5726 46.3628 0.0000 171.8487 23 I 4.6057 8.4188 113.8672 59.1710 39.5273 174.7360 24 I 5.0407 8.4500 126.7598 59.4966 39.8759 174.6220 25 S 4.8620 8.8667 122.6920 56.5917 64.9178 174.9814 26 A 4.1430 8.8260 124.3549 55.6544 18.1568 178.6500 27 E 4.1372 8.1030 112.1591 57.2453 29.5183 177.7355 28 G 3.9779 8.5187 108.8841 44.6230 0.0000 173.9756 29 K 4.3070 7.8180 121.7324 56.2880 33.7885 175.5326 30 I 4.9523 8.5983 127.2889 59.7906 40.3083 173.9334 31 Y 4.9057 9.0621 125.9214 55.4536 39.5384 174.0881 32 P 4.9596 0.0000 0.0000 62.4438 32.6354 175.3792 33 L 4.4705 8.2925 120.3225 53.4042 43.4925 176.0332 34 G 4.0917 8.2760 110.6421 45.1383 0.0000 173.9061 35 S 4.8500 8.3671 114.0343 57.8641 63.2034 174.9583 36 D 5.1660 7.5790 120.5329 52.5035 43.1095 176.2565 37 T 3.9225 8.4320 117.4584 66.6547 67.3825 176.5819 38 K 3.8870 8.1217 121.2498 59.5634 31.9577 178.6939 39 V 3.4261 7.5278 117.7544 65.9689 31.7533 177.9600 40 L 3.2508 7.7268 118.8505 57.2665 41.1890 179.8297 41 S 4.4778 8.3064 116.2000 61.2166 62.9779 176.7286 42 T 3.8163 7.2283 116.5286 66.2296 68.1822 176.5463 43 I 3.5581 7.6736 121.8686 64.5995 37.1310 178.5513 44 F 4.2570 7.9852 118.6215 60.3772 38.6262 177.4651 45 E 4.0466 8.5099 119.4748 59.4471 29.3116 178.9764 46 L 4.1836 7.9526 117.6093 57.4772 41.6918 178.9248 47 F 4.5601 8.2243 120.4525 61.2231 39.5462 177.2388 48 S 4.2067 8.5800 115.0162 61.9072 62.7980 176.8739 49 R 3.8954 7.8789 120.3070 59.0614 29.8572 177.1321 50 P 4.3313 0.0000 0.0000 65.1469 31.3704 179.0211 51 I 3.5877 7.7602 119.1142 64.4764 37.0133 178.3072 52 I 3.5323 7.4440 120.0809 64.3964 36.8172 177.9219 53 N 4.3635 8.0604 119.7793 57.1696 38.8267 177.4510 54 K 4.0219 8.0244 125.1192 59.9500 31.5576 180.7570 55 I 3.8912 7.6821 120.0524 64.3036 37.4347 178.0116 56 A 4.0794 8.1806 121.4835 55.3529 18.2059 178.7516 57 E 3.8814 8.7139 117.6006 59.6577 29.5378 179.2134 58 K 4.1802 8.0794 116.3018 58.8133 31.1616 176.6495 59 H 4.7114 8.5574 117.5730 55.5200 29.2919 175.0011 60 G 3.8618 8.6703 106.6971 46.4285 0.0000 173.3100 61 Y 4.8026 7.3378 115.1811 56.1722 39.9789 175.5275 62 I 4.1275 8.3814 124.1984 60.7147 38.8618 174.8778 63 V 4.9000 8.4411 126.4591 61.3795 33.1095 174.5283 64 E 4.8481 9.4338 127.3268 54.7622 32.8888 175.4276 65 E 4.9242 8.6298 123.1877 53.2352 31.7752 174.2678 66 P 4.2918 0.0000 0.0000 63.4041 32.0657 177.6403 67 K 4.1451 8.4605 122.7404 56.4260 32.4285 177.0993 68 Q 4.3643 7.5434 118.5179 54.8061 30.1878 174.7975 69 Q 4.2781 8.1622 120.2035 56.1087 29.8461 175.0887 70 N 4.2832 8.6488 114.2804 55.1549 35.9205 174.1056 71 H 5.1223 8.1643 113.9358 53.9647 31.5934 173.5353 72 Y 4.4148 9.0145 126.6699 56.9559 39.8990 172.7068 73 P 4.5611 0.0000 0.0000 60.6058 33.6405 174.6220 74 D 4.3215 8.8583 119.4829 56.9126 41.9488 177.1591 75 F 4.9981 8.4693 116.9444 55.9262 42.8573 174.1686 76 T 5.0570 9.0926 121.2946 62.0657 70.3864 173.5460 77 L 5.6789 9.2094 127.3150 52.4564 44.7190 175.3564 78 Y 5.2607 8.4531 118.4720 56.0664 41.2619 173.9491 79 K 4.1006 8.5357 122.8979 55.1981 32.9171 176.1548 80 P 4.1188 0.0000 0.0000 65.8749 30.9711 177.6340 81 S 4.2374 7.8575 111.2441 59.7068 64.0690 173.7444 82 E 4.7372 8.1899 121.3538 54.0097 29.2920 174.8553 83 P 4.2608 0.0000 0.0000 65.5102 31.8038 177.5966 84 N 4.6882 7.9464 113.9725 52.8711 38.8714 175.0247 85 K 4.6960 7.6277 115.9975 55.7234 31.7318 176.8911 86 K 4.3986 8.2072 119.8494 56.4347 34.0794 177.6546 87 I 4.7010 9.0848 123.7221 59.4446 40.2405 174.3526 88 A 4.8103 9.0092 129.8367 50.6841 20.7276 175.7297 89 I 4.9484 9.0153 123.8620 59.5425 40.1841 174.1407 90 D 5.4481 9.3499 127.3439 52.4823 44.1078 174.4181 91 I 4.9687 9.1882 127.1740 60.0503 38.5713 175.3667 92 K 4.9779 9.2890 126.0486 55.0143 36.3958 175.4573 93 T 5.9375 8.5878 117.8221 61.5743 73.2414 172.5878 94 T 5.1227 8.4761 117.4481 61.3362 71.4795 171.0221 95 Y 4.7190 8.0680 121.1387 54.9774 41.5917 174.4694 96 T 4.1289 8.2173 113.0027 60.2703 70.1428 174.6052 97 N 4.4892 9.1331 128.4568 55.9952 39.0680 176.2625 98 K 4.6742 7.7101 119.6866 52.5721 35.4844 178.7222 99 E 4.1226 8.4833 117.9928 56.5384 30.0787 175.7733 100 N 4.4762 9.1305 122.5968 54.4472 35.0944 174.4615 101 E 4.8530 7.2317 112.1179 53.1766 33.5439 178.1005 102 K 4.2495 8.4054 117.1811 58.1787 32.7482 176.1966 103 I 4.5108 8.4673 116.3512 59.2241 41.4949 173.7312 104 K 4.6537 7.4476 119.3741 55.7899 34.6978 173.9013 105 F 5.0755 9.2317 124.5599 55.8336 43.3041 173.8460 106 T 4.7814 8.6651 110.6371 60.2052 70.3969 174.5143 107 L 4.6642 9.3006 125.2126 54.5461 42.7429 177.2889 108 G 3.9106 8.6062 106.0040 44.4065 0.0000 173.8291 109 G 3.6074 7.9454 107.4474 45.5677 0.0000 173.2431 110 Y 4.4510 7.9845 118.9813 56.5967 38.6523 176.7428 111 T 4.6878 7.3075 108.7362 61.3069 71.5193 173.7066 112 S 4.3084 7.6046 117.7110 58.5344 61.6439 176.7147 113 F 4.3918 8.4535 118.6973 59.2786 38.1493 177.4230 114 I 3.0056 6.6989 112.9255 62.0252 37.6668 176.4119 115 R 4.3090 6.9348 118.9557 56.0556 31.8157 175.3838 116 N 4.8187 8.1087 116.0638 51.2880 40.7490 173.8389 117 N 4.3981 9.0068 125.9645 56.3631 38.9797 175.6974 118 T 4.5051 7.6575 104.1499 60.8324 69.6615 173.8846 119 K 4.0827 8.1998 125.0850 57.0387 32.5881 176.1692 120 N 4.1609 8.8713 124.8984 53.7978 36.0030 173.6291 121 I 5.0698 7.2117 114.9522 59.2746 41.5150 174.4488 122 V 3.6425 8.5709 127.0717 65.4215 31.5694 175.9745 123 Y 4.8315 7.6924 114.2884 54.9262 41.6674 173.2494 124 P 4.5911 0.0000 0.0000 63.1001 32.2776 176.8952 125 F 4.5680 9.8328 126.0319 61.7061 39.2771 177.1006 126 D 4.3810 8.6271 118.0549 55.7293 39.1311 177.0781 127 Q 4.0386 8.2502 118.5291 56.6572 29.1188 174.6469 128 Y 4.6611 7.7710 117.0628 56.2074 39.4671 175.4285 129 I 4.3509 8.8716 117.7594 61.2657 39.5546 175.6295 130 A 4.7065 7.5944 123.2602 50.5771 22.9764 174.8454 131 H 5.2053 8.7607 116.5145 53.9149 31.1675 172.2008 132 W 5.4227 9.5467 123.4887 55.7510 31.4362 175.1751 133 I 4.9371 9.1833 124.0315 59.7484 39.6289 174.7207 134 I 4.3762 8.8173 129.0073 59.8261 38.6403 174.7131 135 G 3.3691 7.1816 115.7000 44.3615 0.0000 170.8497 136 Y 5.0712 9.2098 123.7967 56.2579 40.9995 175.0892 137 V 5.4021 9.0033 122.2786 60.2073 35.1192 173.7613 138 Y 5.2204 8.3784 124.5651 55.5009 41.4380 174.1337 139 T 4.8917 9.0958 118.6427 62.3832 70.1502 174.7999 140 R 4.3888 8.8615 126.2599 56.6748 31.0714 176.5518 141 V 4.4603 8.3062 121.1096 60.7661 34.1382 174.9714 142 A 4.0172 9.1097 133.1775 53.4590 18.7637 177.6129 143 T 4.0738 8.4962 116.4394 61.2881 69.5383 173.7578 144 R 4.7459 8.2634 125.2766 53.9214 32.5399 176.7209 145 K 4.0492 8.6752 120.8267 59.2760 31.7577 180.7967 146 S 4.3541 8.2189 116.1139 61.4621 62.3592 179.4111 147 S 4.4600 8.2332 115.1160 61.4326 62.1877 180.8015 148 L 4.4841 8.0475 119.7062 55.8291 41.0019 177.0481 149 K 4.6935 7.6145 124.0818 54.1919 35.2250 180.3649 150 T 4.4187 8.0534 114.1759 61.3810 70.1750 174.2087 151 Y 4.7970 8.7250 118.5472 57.1427 42.9773 174.2530 152 N 5.1570 9.0868 117.4134 51.5496 41.1209 176.5918 153 I 3.6909 8.5538 121.3435 64.6064 37.2327 176.7946 154 N 4.9318 7.9764 115.2528 53.6359 38.8684 175.0485 155 E 4.7261 8.1244 115.0601 56.0176 31.2352 177.7686 156 L 3.8318 8.2063 121.0255 58.3339 41.5420 179.2027 157 N 4.4739 8.1068 114.5632 55.4176 38.6842 176.6474 158 E 4.1566 8.1019 114.7702 57.8031 30.2190 182.8448 159 I 3.1420 7.2404 121.6627 61.1030 37.3088 174.8240 160 P 4.3472 0.0000 0.0000 61.6388 31.4769 172.3470 161 K 4.1789 8.3134 124.6111 54.6716 33.1887 175.8530 162 P 4.7380 0.0000 0.0000 61.9505 30.5490 172.5934 163 Y 5.2356 6.9616 119.2290 57.9781 41.2661 174.3755 164 K 4.7611 9.1609 119.4112 54.2179 36.0730 173.4880 165 G 4.0552 8.9470 109.4106 47.4183 0.0000 175.4799 166 V 4.1486 7.7841 116.7800 61.0354 32.7083 178.6110 167 K 4.6336 8.8893 125.8518 53.3780 34.9833 175.8259 168 V 4.9333 8.3044 122.5396 60.0354 34.6203 174.5427 169 F 5.1873 8.1179 115.3709 55.5691 41.6236 172.6131 170 L 5.2016 8.4283 121.8545 53.5464 44.4184 175.0414 171 Q 4.5159 8.8153 125.4173 54.9008 33.4709 173.0462 172 D 4.9761 8.5532 123.3864 53.7065 41.6802 177.7050 173 K 3.9092 9.3123 126.0122 59.2853 32.6867 179.0265 174 W 3.3440 8.0041 115.4078 58.8586 28.5809 178.2201 175 V 3.0189 6.9051 118.6136 64.2206 31.1551 176.8686 176 I 4.0755 7.2399 111.4435 60.1420 37.9678 175.3517 177 A 4.5982 7.5566 123.1722 52.3749 19.0475 177.6978 178 G 4.5181 8.9473 110.4216 44.0820 0.0000 173.4745 179 D 4.6930 8.7158 121.5182 52.7485 40.5258 175.6362 180 L 5.1997 8.0831 118.4455 52.8598 45.2276 175.7185 181 A 4.5565 9.3384 124.7415 53.0168 18.3576 177.7522 182 G 4.0103 9.2832 109.3758 48.1809 0.0000 174.0046 183 S 4.4213 8.0110 112.5693 57.5086 66.2396 173.3806 184 G 3.7557 9.0230 109.4507 46.9991 0.0000 175.4700 185 N 4.3195 8.4812 120.9669 55.1352 38.0424 176.3874 186 T 4.1220 7.8442 107.1356 61.7947 69.6929 175.9528 187 T 3.2917 7.3589 110.3036 62.7176 67.7145 170.8245 188 N 5.2716 8.1680 125.1515 52.2108 42.0944 175.9672 189 I 2.8325 8.3483 122.9473 60.7807 38.4122 175.4633 190 G 5.0224 8.3674 113.1471 44.4277 0.0000 173.9768 191 S 5.3252 8.5021 118.1646 57.1619 65.4177 173.6150 192 I 4.0576 8.2873 113.2744 61.5398 38.4555 175.9310 193 H 5.1672 8.6439 121.2313 55.1734 29.2406 173.7187 194 A 4.6038 8.6404 124.6201 51.1500 23.4453 174.9056 195 H 4.8436 8.8171 115.4953 55.3231 30.1812 176.2547 196 Y 4.4324 9.0723 122.3575 61.3323 38.4581 179.0276 197 K 3.8398 8.2365 118.7844 59.9854 32.6687 178.6512 198 D 4.3954 8.1880 119.9772 56.7682 40.0804 178.6516 199 F 3.4744 7.4500 118.2359 59.7723 38.4943 178.0002 200 V 3.2684 6.7671 116.8135 66.0234 31.3927 176.8064 201 E 3.9086 8.2865 116.4136 56.4209 29.7624 176.7208 202 G 3.5927 6.9152 106.1680 46.5240 0.0000 176.0074 203 K 4.0721 7.9707 119.3166 55.0553 31.0472 177.1020 204 G 4.3660 7.4547 108.6380 44.1786 0.0000 171.1653 205 I 4.4140 7.9642 109.1813 59.9092 38.8590 175.2307 206 F 5.0311 7.9614 119.6460 56.3201 40.4174 175.7537 207 D 4.7314 9.9191 124.4872 57.1016 41.1623 176.9468 208 S 3.7935 7.7499 112.3579 55.8595 66.9309 174.7645 209 E 3.5740 6.8585 121.6282 59.1302 29.1467 178.3381 210 D 4.4171 7.7327 118.7272 56.9047 40.8440 178.1583 211 E 4.0227 7.9651 119.9545 59.4481 29.7560 177.9246 212 F 2.4917 7.9357 120.2568 61.3869 39.3031 176.8440 213 L 3.4810 8.2185 117.7926 58.0125 41.4537 179.3943 214 D 4.3749 8.0636 117.7075 57.2114 41.1696 177.6318 215 Y 2.8658 7.7628 120.3825 60.2176 38.3374 178.2463 216 W 4.2115 7.7984 119.4854 59.4046 28.8385 178.6925 217 R 4.1288 7.8336 117.3095 57.9129 29.5309 177.0250 218 N 4.8447 7.3201 114.0138 52.7545 39.1898 173.6858 219 Y 3.2925 7.2861 120.4879 56.8096 38.4413 175.2621 220 E 4.1316 7.4598 126.6636 55.7963 30.3741 178.1793 221 R 4.6621 8.8335 120.7616 58.0460 30.7358 177.4154 222 T 4.7734 7.1787 108.5130 58.9619 73.0331 174.9938 223 S 4.0157 8.5196 117.2378 61.5055 62.7403 176.3918 224 Q 3.8871 7.9109 121.9918 59.2207 28.9372 177.9779 225 L 4.0604 7.4291 118.7139 57.6577 41.6252 179.6453 226 R 3.6232 7.8160 118.0482 58.6781 29.7439 178.0898 227 N 4.5922 8.2639 114.7226 54.3777 38.5609 175.0001 228 D 4.9006 7.2285 117.6840 53.3622 41.8648 175.7524 229 K 4.5366 7.6951 116.7177 56.0484 35.2485 175.6251 230 Y 4.9892 7.1035 113.1717 56.2401 41.0284 174.5749 231 N 4.8342 8.8848 117.0457 52.3579 40.8250 173.7308 232 N 5.3101 7.9380 115.4504 51.0196 41.7984 174.5706 233 I 3.7627 9.1673 120.4112 64.3954 37.8779 178.0605 234 S 4.1645 8.1039 115.6344 61.6532 62.9623 176.2172 235 E 4.1913 8.8848 121.1510 58.9267 29.1572 178.8114 236 Y 3.5874 8.1114 120.0152 60.7088 38.9340 177.8600 237 R 3.7095 8.0198 119.0236 59.5015 30.1815 178.5948 238 N 4.6070 8.1988 116.0380 56.0017 38.9225 176.7778 239 W 4.5086 7.9438 131.1417 59.4751 30.7679 178.1915 240 I 3.1028 7.9950 120.2704 64.2534 36.3224 177.4894 241 Y 3.8148 8.0207 119.5609 60.9445 38.5689 177.9353 242 R 3.9696 8.1894 113.9969 57.2623 29.6494 177.4328 243 G 3.5980 7.6023 106.2961 44.8524 0.0000 174.0930 244 R 2.0000 7.3170 118.0182 56.7740 27.2399 177.2746 *245 K 4.1215 7.7302 123.4855 54.9087 32.4568 177.6929 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 S 8.19 4.52 0.00 4.09 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 0.00 3 L 8.56 3.25 0.00 1.91 1.81 0.75 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 4 R 8.00 3.33 0.00 1.07 1.74 0.00 2.62 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.88 0.00 5 S 7.69 4.00 0.00 3.96 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 6 D 7.79 4.25 0.00 3.01 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 7 L 8.31 3.80 0.00 1.75 1.62 0.80 1.15 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 8 I 7.47 3.28 1.13 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.50 0.57 0.00 0.00 9 N 7.79 4.27 0.00 2.82 2.87 0.00 0.00 6.88 7.60 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 10 A 8.12 3.92 1.30 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 0.00 0.00 11 L 8.11 3.81 0.00 1.49 1.55 0.70 0.73 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 12 Y 7.97 4.42 0.00 2.90 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 13 D 8.35 4.40 0.00 3.00 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 14 E 8.72 4.06 0.00 2.13 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.20 0.00 15 N 8.65 4.84 0.00 3.02 3.17 0.00 0.00 7.17 7.45 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 *16 Q 8.48 4.23 0.00 2.17 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 6.73 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 *17 K 7.96 4.47 0.00 1.86 1.75 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.36 1.34 7.81 18 Y 7.60 5.23 0.00 3.41 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 19 D 8.74 5.01 0.00 2.70 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 20 V 8.08 3.80 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 0.90 0.00 0.00 21 C 8.38 4.61 0.00 2.91 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 22 G 7.23 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 0.00 0.00 0.00 0.00 23 I 8.42 4.61 1.89 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 1.43 1.23 0.90 0.00 0.00 24 I 8.45 5.04 1.91 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 1.45 1.08 0.94 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 T 7.23 3.82 4.34 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 1.17 0.00 0.00 43 I 7.67 3.56 1.32 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 1.48 0.61 0.65 0.00 0.00 44 F 7.99 4.26 0.00 2.71 1.89 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 45 E 8.51 4.05 0.00 2.26 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 0.00 2.45 2.58 0.00 46 L 7.95 4.18 0.00 1.87 1.78 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 47 F 8.22 4.56 0.00 3.01 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 S 8.58 4.21 0.00 4.19 3.89 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 49 R 7.88 3.90 0.00 2.01 2.18 0.00 3.22 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 2.36 2.32 0.00 50 P 0.00 4.33 0.00 2.08 2.07 0.00 3.67 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.18 0.00 51 I 7.76 3.59 1.84 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.69 0.79 0.00 0.00 52 I 7.44 3.53 1.16 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.46 0.53 0.00 0.00 53 N 8.06 4.36 0.00 3.01 2.80 0.00 0.00 7.32 6.50 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 54 K 8.02 4.02 0.00 1.82 1.79 0.00 1.88 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.38 1.36 7.81 55 I 7.68 3.89 1.80 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 1.64 1.13 0.85 0.00 0.00 56 A 8.18 4.08 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 57 E 8.71 3.88 0.00 2.02 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 58 K 8.08 4.18 0.00 1.98 1.96 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0.00 0.00 75 F 8.47 5.00 0.00 2.93 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 76 T 9.09 5.06 4.60 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 1.37 0.00 0.00 77 L 9.21 5.68 0.00 1.54 1.30 0.97 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 78 Y 8.45 5.26 0.00 2.92 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 79 K 8.54 4.10 0.00 1.70 1.53 0.00 0.63 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.17 0.76 7.81 80 P 0.00 4.12 0.00 2.06 2.02 0.00 3.61 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.83 0.00 81 S 7.86 4.24 0.00 3.95 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 82 E 8.19 4.74 0.00 1.93 1.86 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 2.17 2.13 0.00 83 P 0.00 4.26 0.00 2.08 2.20 0.00 3.83 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.99 0.00 84 N 7.95 4.69 0.00 2.63 2.78 0.00 0.00 6.69 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 K 7.63 4.70 0.00 1.71 1.74 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.34 7.81 86 K 8.21 4.40 0.00 0.95 1.17 0.00 0.71 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.74 0.84 7.81 87 I 9.08 4.70 1.40 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.47 -0.56 0.00 0.00 88 A 9.01 4.81 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 I 9.02 4.95 2.02 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.80 1.03 0.00 0.00 90 D 9.35 5.45 0.00 2.96 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 I 9.19 4.97 2.05 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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1.87 0.00 100 N 9.13 4.48 0.00 2.88 3.11 0.00 0.00 6.71 7.66 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 0.00 101 E 7.23 4.85 0.00 2.03 1.68 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 2.13 2.10 0.00 102 K 8.41 4.25 0.00 1.55 1.74 0.00 1.62 0.00 0.00 1.87 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.14 1.25 7.81 103 I 8.47 4.51 1.51 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.15 0.80 0.00 0.00 104 K 7.45 4.65 0.00 1.69 1.53 0.00 1.58 0.00 0.00 1.06 0.00 0.00 2.70 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.29 1.47 7.81 105 F 9.23 5.08 0.00 3.07 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 0.00 106 T 8.67 4.78 4.54 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 1.28 0.00 0.00 107 L 9.30 4.66 0.00 1.45 1.73 1.01 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 108 G 8.61 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 0.00 109 G 7.95 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 Y 7.98 4.45 0.00 3.11 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 0.00 111 T 7.31 4.69 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 0.89 0.00 0.00 112 S 7.60 4.31 0.00 4.06 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 F 8.45 4.39 0.00 3.12 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 0.00 114 I 6.70 3.01 1.59 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 0.39 0.51 0.00 0.00 115 R 6.93 4.31 0.00 1.84 1.96 0.00 3.10 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 116 N 8.11 4.82 0.00 2.64 2.65 0.00 0.00 6.62 6.82 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 0.00 117 N 9.01 4.40 0.00 2.95 2.93 0.00 0.00 6.70 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 0.00 118 T 7.66 4.51 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 1.27 0.00 0.00 119 K 8.20 4.08 0.00 1.91 1.79 0.00 1.92 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.41 7.81 120 N 8.87 4.16 0.00 3.22 3.01 0.00 0.00 6.49 7.29 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 0.00 121 I 7.21 5.07 1.81 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.89 1.17 0.00 0.00 122 V 8.57 3.64 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 0.40 0.00 0.00 0.90 0.00 0.00 123 Y 7.69 4.83 0.00 2.87 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 P 0.00 4.59 0.00 2.37 2.10 0.00 3.78 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.18 0.00 125 F 9.83 4.57 0.00 3.17 3.52 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 0.00 126 D 8.63 4.38 0.00 2.81 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 0.00 127 Q 8.25 4.04 0.00 1.86 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.83 0.00 0.00 0.00 0.00 0.00 2.25 2.41 0.00 128 Y 7.77 4.66 0.00 2.80 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 0.00 129 I 8.87 4.35 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 1.31 0.53 0.86 0.00 0.00 130 A 7.59 4.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 H 8.76 5.21 0.00 3.26 3.44 0.00 5.61 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 W 9.55 5.42 0.00 3.27 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 0.00 133 I 9.18 4.94 1.95 0.00 0.00 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 1.34 1.37 0.71 0.00 0.00 134 I 8.82 4.38 1.89 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 1.05 0.81 0.73 0.00 0.00 135 G 7.18 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 0.00 0.00 0.00 136 Y 9.21 5.07 0.00 2.90 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 V 9.00 5.40 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 1.17 0.00 0.00 1.24 0.00 0.00 138 Y 8.38 5.22 0.00 3.16 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 0.00 139 T 9.10 4.89 4.47 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 1.32 0.00 0.00 140 R 8.86 4.39 0.00 1.78 1.94 0.00 2.46 0.00 0.00 3.01 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.59 0.00 141 V 8.31 4.46 2.24 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 0.84 0.00 0.00 1.00 0.00 0.00 142 A 9.11 4.02 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 T 8.50 4.07 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 0.00 144 R 8.26 4.75 0.00 1.71 1.80 0.00 3.23 0.00 0.00 3.37 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.16 0.00 145 K 8.68 4.05 0.00 1.67 1.86 0.00 1.77 0.00 0.00 1.85 0.00 0.00 2.87 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.45 1.02 7.81 146 S 8.22 4.35 0.00 3.62 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 0.00 147 S 8.23 4.46 0.00 3.67 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 0.00 148 L 8.05 4.48 0.00 1.99 1.71 0.92 0.73 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 0.00 149 K 7.61 4.69 0.00 1.47 1.53 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.27 1.22 7.81 150 T 8.05 4.42 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 0.00 151 Y 8.73 4.80 0.00 2.76 2.78 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 0.00 152 N 9.09 5.16 0.00 2.74 2.71 0.00 0.00 7.43 6.95 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 0.00 153 I 8.55 3.69 1.88 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 0.63 0.92 0.00 0.00 154 N 7.98 4.93 0.00 2.70 2.83 0.00 0.00 6.67 7.66 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 0.00 155 E 8.12 4.73 0.00 2.29 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 156 L 8.21 3.83 0.00 1.68 1.71 0.95 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 157 N 8.11 4.47 0.00 2.67 2.84 0.00 0.00 6.79 7.66 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 0.00 158 E 8.10 4.16 0.00 1.97 1.86 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 2.25 2.15 0.00 159 I 7.24 3.14 1.62 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.64 0.55 0.00 0.00 160 P 0.00 4.35 0.00 2.09 1.83 0.00 3.73 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.61 0.00 161 K 8.31 4.18 0.00 1.48 0.78 0.00 1.74 0.00 0.00 1.85 0.00 0.00 2.85 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.47 0.99 7.81 162 P 0.00 4.74 0.00 2.09 1.91 0.00 3.75 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.57 0.00 163 Y 6.96 5.24 0.00 3.25 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 K 9.16 4.76 0.00 1.69 1.64 0.00 1.96 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.27 1.26 7.81 165 G 8.95 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 0.00 166 V 7.78 4.15 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 0.76 0.00 0.00 0.93 0.00 0.00 167 K 8.89 4.63 0.00 1.28 0.74 0.00 1.14 0.00 0.00 0.61 0.00 0.00 2.57 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.86 1.23 7.81 168 V 8.30 4.93 1.30 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 0.83 0.00 0.00 -0.04 0.00 0.00 169 F 8.12 5.19 0.00 3.04 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 L 8.43 5.20 0.00 1.41 1.28 0.58 -0.26 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 0.00 171 Q 8.82 4.52 0.00 2.21 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.79 0.00 0.00 0.00 0.00 0.00 2.17 2.21 0.00 172 D 8.55 4.98 0.00 2.43 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 K 9.31 3.91 0.00 1.96 1.96 0.00 1.78 0.00 0.00 1.86 0.00 0.00 3.15 0.00 0.00 3.45 0.00 0.00 0.00 0.00 1.14 1.39 7.81 174 W 8.00 3.34 0.00 3.42 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 V 6.91 3.02 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 0.55 0.00 0.00 -0.83 0.00 0.00 176 I 7.24 4.08 2.10 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.66 0.78 0.00 0.00 177 A 7.56 4.60 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 G 8.95 4.52 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 0.00 179 D 8.72 4.69 0.00 2.31 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 0.00 0.00 0.00 0.00 180 L 8.08 5.20 0.00 1.77 1.76 0.99 0.96 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 0.00 181 A 9.34 4.56 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 G 9.28 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 0.00 183 S 8.01 4.42 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 0.00 184 G 9.02 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 0.00 0.00 0.00 185 N 8.48 4.32 0.00 2.82 2.98 0.00 0.00 5.96 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 T 7.84 4.12 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 1.20 0.00 0.00 187 T 7.36 3.29 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 1.10 0.00 0.00 188 N 8.17 5.27 0.00 2.71 2.73 0.00 0.00 7.09 7.28 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 0.00 189 I 8.35 2.83 1.49 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.44 0.16 0.00 0.00 190 G 8.37 5.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 S 8.50 5.33 0.00 4.54 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 0.00 192 I 8.29 4.06 1.71 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 1.15 0.24 0.88 0.00 0.00 193 H 8.64 5.17 0.00 3.04 3.35 0.00 5.72 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 A 8.64 4.60 1.01 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 0.00 195 H 8.82 4.84 0.00 3.30 3.33 0.00 5.86 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 Y 9.07 4.43 0.00 3.18 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 0.00 197 K 8.24 3.84 0.00 1.97 2.11 0.00 1.50 0.00 0.00 1.79 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.52 1.51 7.81 198 D 8.19 4.40 0.00 2.54 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 0.00 199 F 7.45 3.47 0.00 2.48 1.45 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 0.00 200 V 6.77 3.27 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 0.73 0.00 0.00 0.39 0.00 0.00 201 E 8.29 3.91 0.00 1.88 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 0.00 2.25 2.22 0.00 202 G 6.92 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 0.00 0.00 0.00 203 K 7.97 4.07 0.00 1.56 1.60 0.00 1.42 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.32 1.30 7.81 204 G 7.45 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 205 I 7.96 4.41 1.60 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.28 0.76 0.00 0.00 206 F 7.96 5.03 0.00 3.47 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 207 D 9.92 4.73 0.00 2.88 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 0.00 208 S 7.75 3.79 0.00 3.68 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 0.00 209 E 6.86 3.57 0.00 1.16 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 2.33 2.55 0.00 210 D 7.73 4.42 0.00 2.70 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 0.00 211 E 7.97 4.02 0.00 2.19 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 0.00 2.82 2.64 0.00 212 F 7.94 2.49 0.00 3.15 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 0.00 213 L 8.22 3.48 0.00 1.78 1.75 1.21 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 214 D 8.06 4.37 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 0.00 215 Y 7.76 2.87 0.00 2.27 2.37 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 0.00 216 W 7.80 4.21 0.00 3.02 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 0.00 217 R 7.83 4.13 0.00 1.99 2.02 0.00 3.20 0.00 0.00 3.26 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.83 0.00 218 N 7.32 4.84 0.00 2.70 2.73 0.00 0.00 6.95 7.35 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 0.00 219 Y 7.29 3.29 0.00 2.35 2.49 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 0.00 220 E 7.46 4.13 0.00 1.60 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.12 0.00 221 R 8.83 4.66 0.00 1.84 2.08 0.00 3.21 0.00 0.00 3.72 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.74 0.00 222 T 7.18 4.77 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 1.21 0.00 0.00 223 S 8.52 4.02 0.00 4.03 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 224 Q 7.91 3.89 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.14 0.00 0.00 0.00 0.00 0.00 2.30 2.43 0.00 225 L 7.43 4.06 0.00 1.82 1.54 0.86 0.86 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 0.00 226 R 7.82 3.62 0.00 1.55 1.68 0.00 2.21 0.00 0.00 2.25 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 1.32 0.00 227 N 8.26 4.59 0.00 2.70 2.83 0.00 0.00 6.77 7.64 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 0.00 228 D 7.23 4.90 0.00 2.57 2.56 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 0.00 0.00 0.00 0.00 229 K 7.70 4.54 0.00 1.56 0.94 0.00 1.36 0.00 0.00 0.72 0.00 0.00 2.63 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.53 1.19 7.81 230 Y 7.10 4.99 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 0.00 231 N 8.88 4.83 0.00 2.60 2.82 0.00 0.00 6.92 8.82 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 0.00 232 N 7.94 5.31 0.00 3.12 2.94 0.00 0.00 6.36 7.73 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 0.00 233 I 9.17 3.76 1.43 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.18 0.82 0.00 0.00 234 S 8.10 4.16 0.00 4.03 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 0.00 235 E 8.88 4.19 0.00 2.20 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.63 0.00 236 Y 8.11 3.59 0.00 2.56 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 0.00 237 R 8.02 3.71 0.00 2.08 1.97 0.00 3.35 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 1.67 1.82 0.00 238 N 8.20 4.61 0.00 2.89 3.02 0.00 0.00 6.88 7.29 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 0.00 239 W 7.94 4.51 0.00 3.62 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 0.00 240 I 8.00 3.10 1.80 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 0.64 -0.01 0.74 0.00 0.00 241 Y 8.02 3.81 0.00 2.91 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 0.00 242 R 8.19 3.97 0.00 2.08 1.97 0.00 3.29 0.00 0.00 3.44 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.94 0.00 243 G 7.60 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 0.00 244 R 7.32 2.00 0.00 1.44 1.29 0.00 2.96 0.00 0.00 3.00 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.89 0.00 *245 K 7.73 4.12 0.00 1.66 1.71 0.00 1.59 0.00 0.00 1.85 0.00 0.00 3.07 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.