NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 I 4.2838 7.8827 121.4530 61.2120 38.7397 173.7649 17 V 4.3695 8.7510 125.8944 61.7776 32.7634 174.4727 18 G 4.0300 8.4719 114.0353 46.5719 0.0000 173.3622 19 G 4.2363 7.7474 109.9273 44.4158 0.0000 172.7401 20 Y 4.9525 8.0683 116.6281 55.2797 42.1266 174.8385 21 T 4.1130 8.6067 117.4146 64.3151 68.4479 174.8437 22 C 4.1845 8.6367 125.4539 61.1530 36.4121 174.2019 23 G 4.0617 8.7386 106.2726 43.5120 0.0000 172.8911 24 A 4.2444 8.7402 125.9347 53.9662 18.4658 176.8008 25 N 4.2673 8.9150 119.0744 54.5400 36.2030 175.5069 26 T 4.1594 7.7457 108.5329 63.0195 69.8179 175.1031 27 V 4.1058 7.0686 121.9904 59.7492 31.2993 173.6447 28 P 4.5059 0.0000 0.0000 64.1118 31.7515 178.1341 29 Y 5.2253 6.8169 115.2476 56.4098 38.8170 174.6974 30 Q 4.5185 7.3515 123.6220 56.2399 29.7443 175.2732 31 V 4.7703 9.0256 125.8427 61.1435 35.3831 173.7926 32 S 4.9505 8.6016 120.7870 56.4298 64.7960 172.6378 33 L 4.3809 8.4843 128.2969 53.6747 42.7625 175.2295 34 N 5.7993 9.1789 123.1633 50.0084 42.0667 174.8559 *37 S 4.2462 8.3415 119.1303 58.3241 64.1183 174.5367 38 G 3.9800 9.8103 108.4737 45.8266 0.0000 172.6238 39 Y 4.4552 6.6019 115.4115 56.4593 39.8088 172.2087 40 H 4.5995 8.8758 121.5790 55.8672 30.3786 174.6759 41 F 5.0401 7.5279 120.3420 57.0128 39.7914 173.9716 42 C 4.7016 6.8031 115.0622 56.4376 44.7742 172.9048 43 G 4.2387 8.6426 108.9985 45.5308 0.0000 172.1341 44 G 4.3084 8.1022 105.1206 46.3735 0.0000 172.7195 45 S 5.3967 8.7934 115.4595 56.4171 66.8969 173.6736 46 L 4.7565 9.2454 127.9519 54.9863 42.2909 177.1373 47 I 4.3956 8.5622 120.1676 61.0892 38.8714 174.6714 48 N 4.5765 7.7155 117.3584 52.0191 39.2627 175.2078 49 S 4.2486 8.5576 113.0233 61.0246 62.9546 175.0334 50 Q 4.6674 9.4946 120.1655 55.1087 31.2824 174.0222 51 W 5.5276 8.6263 117.3788 55.3422 33.3612 174.2589 52 V 5.0659 9.2641 124.3904 61.0382 34.2125 174.3090 53 V 4.9000 8.8665 127.2758 60.5490 33.4748 174.9973 54 S 5.0850 9.2192 117.4834 57.6355 66.2320 171.9400 55 A 4.6242 8.5076 120.9093 50.7786 20.1570 178.5903 56 A 3.8500 8.2541 124.5285 55.1720 18.5226 179.0297 57 H 4.5337 8.2733 109.4754 57.1232 28.7026 175.3250 58 C 4.6847 7.8210 117.1426 57.1145 40.6732 173.3447 59 Y 4.1868 7.4283 121.7271 58.1158 38.7252 175.3709 60 K 3.8507 6.8922 124.9437 55.2157 34.9242 174.7979 61 S 4.1975 8.0909 119.1704 58.0892 64.7369 173.3988 62 G 3.7261 8.2423 106.5958 46.7150 0.0000 173.8617 63 I 4.5296 7.2350 118.7381 59.6020 40.0723 176.0341 64 Q 4.7888 8.9951 128.5334 54.2266 31.4222 174.1625 65 V 4.3676 8.9220 127.1854 61.8997 33.4317 174.5950 66 R 5.0155 8.9068 127.6526 54.7224 32.2846 175.4082 67 L 4.6699 8.9571 124.8368 52.6952 44.6079 177.3199 *69 G 3.9430 8.1567 106.4200 45.6303 0.0000 172.8549 70 E 4.6301 8.2827 117.9033 54.8845 30.9647 174.2889 71 D 4.7105 7.8425 117.3137 54.8836 44.1938 174.1630 72 N 4.8935 8.4935 121.7414 52.5348 39.1815 176.2875 73 I 3.9495 8.5522 120.7960 62.7927 37.8546 176.6289 74 N 4.6471 8.5955 117.8191 53.3338 39.2291 175.0369 75 V 4.3175 7.3068 116.4120 60.6244 33.8814 175.0285 76 V 4.1277 8.3511 126.4839 62.4396 31.1629 175.1835 77 E 4.4227 9.3668 127.2728 55.4125 30.9102 176.8831 78 G 3.9279 8.4475 105.6061 46.0968 0.0000 174.0677 79 N 4.5691 8.9057 115.7307 52.9119 36.7251 174.5570 80 E 4.9437 7.5223 116.6593 55.8461 30.8786 176.5874 81 Q 4.2903 8.4852 120.1008 54.6766 32.9334 173.8628 82 F 5.4357 8.7898 123.8495 56.2224 40.4334 175.5856 83 I 4.6853 8.7388 124.9023 59.4060 40.8311 175.6133 84 S 4.6362 8.6581 121.9376 58.1691 64.3541 173.1658 85 A 4.5963 8.3559 125.2998 51.9503 18.4561 177.8096 86 S 4.5432 8.9716 117.2251 60.0244 64.6557 174.8801 87 K 4.5668 7.5278 116.9226 55.7742 35.5080 174.7211 88 S 5.1832 8.9147 118.9988 57.1151 65.3588 173.7907 89 I 4.3759 9.3805 127.6652 59.6734 37.9183 175.1681 90 V 4.1320 8.2016 127.3297 62.1986 32.6189 175.1554 91 H 3.8961 8.6755 127.3201 56.0413 29.9148 174.2007 92 P 4.2135 0.0000 0.0000 65.5100 31.3349 177.1220 93 S 4.6891 7.8063 111.3122 58.1291 62.9807 173.2939 94 Y 4.3295 8.2596 123.6367 57.6235 39.0856 174.3480 95 N 4.6298 8.2576 125.8221 51.3141 40.0626 175.2601 96 S 4.0301 7.7696 120.2335 59.8305 63.5894 175.2639 97 N 4.3985 8.3672 119.1835 55.8680 38.6527 176.5672 98 T 3.8071 7.7497 105.5999 61.8079 69.5061 175.2318 99 L 3.7841 7.9777 120.6299 55.3012 39.7989 173.9393 100 N 4.5002 7.6996 117.5454 54.6044 39.4807 174.5400 101 N 4.8433 8.6586 119.1990 54.1660 35.9986 175.4312 102 D 4.6951 7.9801 117.4023 53.0223 39.6417 174.4851 103 I 4.7702 7.1094 120.7652 59.2122 42.4098 173.0303 104 M 5.3756 9.3348 127.8992 54.0037 36.1710 173.3407 105 L 5.3974 9.2611 125.1822 53.2102 44.7426 175.3572 106 I 4.9455 9.3947 123.9820 59.4147 40.5596 174.2610 107 K 3.7701 8.6888 128.7718 54.4631 33.6829 175.4493 108 L 4.3526 8.1036 127.9841 54.0757 41.9116 177.1595 109 K 4.0415 8.8891 124.9748 59.0011 32.6145 177.0099 110 S 4.6979 7.7371 112.7357 56.0614 66.7812 173.0217 111 A 4.4683 8.3420 123.7673 51.6553 18.8577 177.5540 112 A 4.0988 9.1235 124.8045 51.9376 19.5334 177.9962 113 S 4.4180 9.3170 116.7196 57.0427 62.1088 173.7542 114 L 4.4792 8.3608 127.5365 54.6627 42.8801 177.0089 115 N 4.7227 8.9039 119.5386 52.6788 39.6750 174.7772 116 S 4.1863 8.8882 111.0520 61.4964 62.8914 176.1039 117 R 4.3289 8.8870 117.7091 56.0377 30.7266 175.8608 118 V 4.5020 7.7980 116.5999 61.0136 33.0725 173.5169 119 A 5.2007 8.5905 128.4594 50.1874 23.0687 174.7719 120 S 5.1600 8.6880 113.5414 57.4481 65.1350 173.2043 121 I 4.4353 8.2524 121.0971 59.2684 39.9337 175.2562 122 S 4.5250 8.3118 123.3764 57.9481 64.2901 173.7838 123 L 4.2423 8.3695 123.5275 53.4535 42.3603 175.4005 124 P 4.4512 0.0000 0.0000 63.1569 31.9801 176.3279 125 T 4.2127 8.2320 108.6459 62.1169 69.9057 174.3696 *127 S 4.4752 7.5431 115.2793 58.1979 64.0693 174.0315 128 C 4.4193 8.3797 117.9867 56.5337 40.7651 173.6329 129 A 4.3309 8.0562 125.4424 51.5931 19.4649 177.4767 130 S 4.3683 8.1103 114.8523 56.8301 65.0913 173.1214 *132 A 4.2679 8.1496 123.0031 53.3804 19.2722 175.8954 133 G 4.0852 9.2997 109.1784 45.5995 0.0000 174.7766 134 T 3.8721 7.5144 116.3971 64.0656 69.4145 173.3733 135 Q 4.7009 8.6127 127.6677 55.6809 30.1416 175.2612 136 C 5.2886 9.3347 122.9128 55.0858 46.5806 172.3079 137 L 5.1538 8.9791 122.6520 53.5843 43.8982 175.0397 138 I 5.2125 9.2939 127.3120 58.9595 39.9345 174.8535 139 S 4.8956 8.4450 118.9494 56.4757 66.5390 173.1126 140 G 3.8037 7.1407 108.4529 46.1589 0.0000 172.7933 141 W 4.8782 8.5373 116.9172 56.2670 29.3563 177.0136 142 G 4.1867 8.3954 109.2264 44.4195 0.0000 173.4098 143 N 3.7601 8.9461 118.3342 54.4092 38.8988 174.6218 144 T 5.0751 8.3795 113.6311 60.6012 69.6760 174.3994 145 K 4.6206 7.7222 121.5510 54.8163 34.6998 176.3818 146 S 4.2053 8.7909 119.4114 60.8589 63.0383 174.4409 147 S 4.4748 7.9357 117.0928 59.2641 63.0618 171.8527 148 G 3.7703 7.8691 111.4646 44.0161 0.0000 170.5675 149 T 4.6399 8.1481 115.5396 61.9466 72.2506 174.1055 150 S 4.3654 9.3473 122.1421 57.4989 65.6384 171.9987 151 Y 5.0843 8.5960 125.5952 55.7165 39.3258 174.3300 152 P 4.6830 0.0000 0.0000 62.4651 32.9496 175.9969 153 D 4.5750 8.7904 119.0302 56.7374 41.3461 177.2033 154 V 5.4447 7.3863 109.7325 58.5978 34.2584 175.8153 155 L 3.1665 8.1665 124.6524 55.0657 43.0210 175.8539 156 K 4.8650 8.0551 124.7800 54.8638 34.9436 174.6620 157 C 5.2147 8.7354 120.5756 55.1893 39.7107 172.9407 158 L 4.9869 8.5710 122.4432 54.0360 45.5790 174.2543 159 K 5.1291 9.0160 125.6499 55.1938 33.6436 175.7966 160 A 4.8769 9.2946 125.8880 49.6034 23.1239 173.6050 161 P 5.0076 0.0000 0.0000 62.0424 33.8813 175.0982 162 I 4.4456 8.5053 122.8999 61.2585 38.1261 176.0101 163 L 4.7714 8.7429 127.8143 53.4898 43.1437 176.9626 164 S 4.3906 8.4338 114.7163 58.1136 64.0780 175.2016 165 D 4.4121 8.6974 122.1199 57.3770 40.5314 179.2339 166 S 4.1514 8.0268 114.5468 61.6739 63.0696 176.6943 167 S 4.1204 7.9926 118.6471 61.0818 62.5689 175.6938 168 C 4.2904 8.4200 121.3070 59.9588 41.7193 176.0245 169 K 3.9789 8.6698 120.0646 59.3702 31.3303 179.6469 170 S 4.2604 7.9334 114.9527 61.3216 62.7788 176.1136 171 A 4.0490 7.8311 122.9133 53.7271 19.7143 177.3409 172 Y 4.8033 7.8781 114.2984 54.9826 38.3110 172.3007 173 P 4.5440 0.0000 0.0000 63.2119 32.2034 177.1740 174 G 3.9883 8.9890 110.0567 46.1930 0.0000 173.6894 175 Q 4.5132 8.1288 117.3256 55.6340 30.5024 175.6947 176 I 4.3116 7.8806 119.4369 60.2931 38.2075 175.4122 177 T 4.5870 8.2345 115.4164 59.5728 70.9368 175.2883 178 S 4.3648 8.5422 115.1348 60.2904 63.2113 174.3937 179 N 5.0193 7.9696 118.1654 53.3086 38.5678 173.8363 180 M 5.6029 7.9108 116.5069 53.8978 36.3874 174.6210 181 F 5.1136 8.6780 115.1752 55.8204 42.0628 172.6331 182 C 5.3855 9.0313 117.2432 56.1095 39.4247 172.5004 183 A 5.0382 9.1602 122.9236 50.6884 22.4016 176.1120 184 G 3.8491 6.8509 108.8091 44.8954 0.0000 172.0859 184A Y 4.6413 8.2949 119.3293 56.0004 41.0290 176.5243 185 L 4.2055 8.6510 125.1768 57.3224 42.0200 178.6923 186 E 3.9194 8.2389 115.0949 56.8271 29.9218 177.4940 187 G 3.8095 7.8943 107.9538 45.5227 0.0000 173.5170 188 G 3.9660 9.6098 106.5520 44.9503 0.0000 173.3431 188A K 5.0140 7.3622 117.7250 55.4564 35.5530 174.9713 189 D 4.6739 8.8444 123.5441 53.5871 45.5471 175.0412 190 S 4.8567 8.8379 117.0176 58.3985 64.9447 173.1665 191 C 4.8007 9.3612 118.9937 55.3894 43.3744 172.5432 192 Q 4.4239 8.6547 118.4572 58.0568 28.5799 177.9266 193 G 4.5033 9.2519 110.0503 45.7044 0.0000 174.1534 194 D 4.6741 8.3392 118.7506 55.8038 41.6820 176.7906 195 S 4.4022 8.0999 115.0678 60.5338 63.0274 174.9847 196 G 4.2758 8.9038 112.5563 46.5069 0.0000 173.9066 197 G 3.9573 8.0478 107.0028 45.5601 0.0000 171.3892 198 P 5.0953 0.0000 0.0000 62.4970 33.5392 175.7137 199 V 4.6275 8.5116 120.5335 61.3561 33.9367 173.5456 200 V 4.7668 8.6707 128.2515 61.3118 33.5920 173.7089 201 C 5.1103 9.0379 125.2326 55.4355 43.5051 174.6400 202 S 3.6045 9.6711 121.2512 59.7340 59.9864 173.3284 203 G 3.9084 8.3285 104.2151 45.6751 0.0000 173.5717 204 K 4.7006 7.6688 118.3280 53.1645 34.9242 175.4538 *209 L 4.4258 8.2444 123.1253 55.3785 42.0418 175.7642 210 Q 4.3848 8.8498 126.2126 57.1924 30.6623 175.9027 211 G 5.3354 8.0267 104.3680 45.7361 0.0000 171.4257 212 I 5.2461 8.2054 119.4578 58.8547 41.0392 175.2825 213 V 3.8147 9.1025 127.6947 64.2565 31.7926 174.2363 214 S 4.8460 8.4963 121.0195 58.5711 64.3003 174.4538 215 W 4.9963 7.4168 114.3068 56.1592 31.8266 172.5239 216 G 3.8709 8.4411 106.2723 46.3938 0.0000 173.8399 217 S 4.6210 8.4174 116.1271 56.9337 61.8457 173.1926 *219 G 4.2460 7.9152 118.2259 45.4583 0.0000 170.6188 220 C 4.9389 8.2046 116.5070 56.5706 43.5170 173.7623 221 A 4.2578 8.9892 125.8292 53.1368 16.7405 176.9536 221A Q 4.5189 7.3654 116.9654 56.2837 29.7348 175.9516 222 K 4.2254 8.4670 122.2660 57.9604 32.5902 176.3210 223 N 4.2761 9.4592 122.2301 53.9730 36.9678 175.2037 224 K 4.2758 7.5228 117.1984 53.5734 32.0877 173.4969 225 P 4.6033 0.0000 0.0000 62.1629 33.1588 177.0620 226 G 3.6326 8.5045 107.2044 45.8653 0.0000 172.8635 227 V 4.4233 7.5616 123.2409 60.7540 33.7872 174.1583 228 Y 4.8741 8.2553 124.4751 55.9342 42.2485 174.9265 229 T 4.4725 8.4663 119.2617 63.4952 69.8407 174.6955 230 K 4.9508 9.3450 128.8021 55.5293 30.7337 176.8867 231 V 3.9197 8.7694 125.0023 65.9662 31.4352 174.7677 232 C 4.6435 8.3324 112.2593 58.1342 41.4766 174.7535 233 N 4.2495 8.2127 117.3358 54.4000 38.6149 175.5266 234 Y 4.7610 8.2011 117.6148 57.2859 38.8384 177.1927 235 V 3.6577 7.9268 120.9549 66.5268 31.4669 177.9691 236 S 4.1447 8.1057 114.0687 61.1896 62.6400 176.3476 237 W 4.1263 8.2773 130.5528 60.5096 30.5290 177.6995 238 I 3.2129 8.4032 120.0926 64.3126 36.5387 178.4147 239 K 3.7226 7.9931 118.9314 59.6512 32.0367 179.4581 240 Q 3.8558 8.1822 118.4197 59.1595 28.3765 179.0474 241 T 3.5448 7.3420 115.8777 66.4878 68.7094 176.4964 242 I 2.7255 7.2957 121.7198 63.9836 36.7628 178.4069 243 A 4.0068 7.7835 120.6942 54.3063 18.2120 178.7463 244 S 4.5852 7.3769 109.6780 58.4158 63.6119 174.1247 245 N 4.6840 7.8941 125.5135 53.8002 39.1671 174.0063 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 16 I 7.88 4.28 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 1.38 0.61 0.88 0.00 0.00 17 V 8.75 4.37 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 0.97 0.00 0.00 0.93 0.00 0.00 18 G 8.47 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 19 G 7.75 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 Y 8.07 4.95 0.00 2.93 2.96 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 21 T 8.61 4.11 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 1.24 0.00 0.00 22 C 8.64 4.18 0.00 2.72 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 23 G 8.74 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 24 A 8.74 4.24 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 25 N 8.91 4.27 0.00 2.89 2.91 0.00 0.00 7.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 T 7.75 4.16 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 1.23 0.00 0.00 27 V 7.07 4.11 1.74 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 0.20 0.00 0.00 0.75 0.00 0.00 28 P 0.00 4.51 0.00 2.39 2.31 0.00 3.85 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 1.98 0.00 29 Y 6.82 5.23 0.00 3.29 3.42 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 30 Q 7.35 4.52 0.00 1.76 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.67 0.00 0.00 0.00 0.00 0.00 1.88 2.50 0.00 31 V 9.03 4.77 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 1.00 0.00 0.00 32 S 8.60 4.95 0.00 3.01 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 33 L 8.48 4.38 0.00 0.42 0.68 0.78 0.08 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 34 N 9.18 5.80 0.00 2.33 2.39 0.00 0.00 6.77 7.58 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 *37 S 8.34 4.25 0.00 3.81 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 G 9.81 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 Y 6.60 4.46 0.00 3.04 2.96 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 40 H 8.88 4.60 0.00 2.81 3.12 0.00 5.86 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 F 7.53 5.04 0.00 3.04 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 42 C 6.80 4.70 0.00 2.30 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 43 G 8.64 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 G 8.10 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 0.00 0.00 0.00 0.00 45 S 8.79 5.40 0.00 3.83 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 46 L 9.25 4.76 0.00 1.87 1.69 1.06 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 47 I 8.56 4.40 1.91 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 1.66 0.89 0.97 0.00 0.00 48 N 7.72 4.58 0.00 2.99 2.98 0.00 0.00 5.99 7.27 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 49 S 8.56 4.25 0.00 4.18 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 Q 9.49 4.67 0.00 2.05 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.80 0.00 0.00 0.00 0.00 0.00 1.89 2.16 0.00 51 W 8.63 5.53 0.00 3.37 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 52 V 9.26 5.07 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 1.06 0.00 0.00 0.98 0.00 0.00 53 V 8.87 4.90 2.18 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 0.78 0.00 0.00 1.07 0.00 0.00 54 S 9.22 5.08 0.00 3.85 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.51 4.62 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 A 8.25 3.85 0.55 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 57 H 8.27 4.53 0.00 3.36 3.53 0.00 5.55 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 C 7.82 4.68 0.00 3.24 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 59 Y 7.43 4.19 0.00 3.00 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 60 K 6.89 3.85 0.00 1.20 1.12 0.00 0.92 0.00 0.00 1.27 0.00 0.00 2.46 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.93 1.02 7.81 61 S 8.09 4.20 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 62 G 8.24 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 I 7.24 4.53 1.85 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.79 0.91 0.00 0.00 64 Q 9.00 4.79 0.00 1.95 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.88 0.00 0.00 0.00 0.00 0.00 2.04 2.18 0.00 65 V 8.92 4.37 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 0.96 0.00 0.00 0.88 0.00 0.00 66 R 8.91 5.02 0.00 1.60 1.88 0.00 2.66 0.00 0.00 2.62 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 1.15 0.00 67 L 8.96 4.67 0.00 1.60 1.68 0.97 1.13 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 *69 G 8.16 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 70 E 8.28 4.63 0.00 2.10 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 2.47 2.05 0.00 71 D 7.84 4.71 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 72 N 8.49 4.89 0.00 2.85 2.86 0.00 0.00 7.19 7.83 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 73 I 8.55 3.95 1.46 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.56 -0.43 0.00 0.00 74 N 8.60 4.65 0.00 2.83 2.91 0.00 0.00 6.67 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 V 7.31 4.32 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 0.78 0.00 0.00 0.95 0.00 0.00 76 V 8.35 4.13 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 0.85 0.00 0.00 0.95 0.00 0.00 77 E 9.37 4.42 0.00 1.95 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 2.27 2.42 0.00 78 G 8.45 3.93 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 0.00 0.00 0.00 79 N 8.91 4.57 0.00 2.95 3.08 0.00 0.00 6.89 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 80 E 7.52 4.94 0.00 1.54 1.72 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 2.59 2.29 0.00 81 Q 8.49 4.29 0.00 1.97 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.89 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 82 F 8.79 5.44 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 83 I 8.74 4.69 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 1.24 0.81 0.91 0.00 0.00 84 S 8.66 4.64 0.00 3.75 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 A 8.36 4.60 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 S 8.97 4.54 0.00 3.76 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 87 K 7.53 4.57 0.00 1.84 1.89 0.00 1.42 0.00 0.00 1.85 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.23 1.46 7.81 88 S 8.91 5.18 0.00 4.15 4.08 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 89 I 9.38 4.38 2.07 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 1.24 0.98 1.07 0.00 0.00 90 V 8.20 4.13 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 0.66 0.00 0.00 0.71 0.00 0.00 91 H 8.68 3.90 0.00 2.94 3.10 0.00 5.66 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 P 0.00 4.21 0.00 2.04 2.15 0.00 3.21 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 2.17 2.24 0.00 93 S 7.81 4.69 0.00 4.02 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 94 Y 8.26 4.33 0.00 3.09 2.96 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 95 N 8.26 4.63 0.00 2.57 2.43 0.00 0.00 6.64 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 96 S 7.77 4.03 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 97 N 8.37 4.40 0.00 2.73 2.77 0.00 0.00 6.96 8.36 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 98 T 7.75 3.81 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 1.10 0.00 0.00 99 L 7.98 3.78 0.00 1.40 1.85 0.58 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 100 N 7.70 4.50 0.00 2.76 2.64 0.00 0.00 7.24 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 0.00 101 N 8.66 4.84 0.00 2.96 2.68 0.00 0.00 7.23 8.06 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 0.00 102 D 7.98 4.70 0.00 3.11 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 0.00 103 I 7.11 4.77 1.39 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 1.29 1.17 0.02 0.00 0.00 104 M 9.33 5.38 0.00 2.19 1.81 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.64 0.00 105 L 9.26 5.40 0.00 1.83 1.93 1.08 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 106 I 9.39 4.95 1.92 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 1.20 0.92 0.88 0.00 0.00 107 K 8.69 3.77 0.00 0.79 1.11 0.00 1.28 0.00 0.00 1.35 0.00 0.00 2.63 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.62 0.21 7.81 108 L 8.10 4.35 0.00 1.44 1.61 0.96 0.72 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 0.00 109 K 8.89 4.04 0.00 1.82 1.80 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.39 7.81 110 S 7.74 4.70 0.00 3.82 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 0.00 111 A 8.34 4.47 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 0.00 112 A 9.12 4.10 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 0.00 113 S 9.32 4.42 0.00 3.84 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 0.00 114 L 8.36 4.48 0.00 1.70 1.62 0.96 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 115 N 8.90 4.72 0.00 2.87 2.92 0.00 0.00 6.38 7.47 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 0.00 116 S 8.89 4.19 0.00 3.86 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 0.00 117 R 8.89 4.33 0.00 1.87 2.13 0.00 3.26 0.00 0.00 3.10 7.28 0.00 0.00 0.00 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1.20 0.00 0.00 *127 S 7.54 4.48 0.00 4.00 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 0.00 128 C 8.38 4.42 0.00 2.93 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 A 8.06 4.33 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 S 8.11 4.37 0.00 3.99 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 *132 A 8.15 4.27 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 0.00 133 G 9.30 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 T 7.51 3.87 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 1.15 0.00 0.00 135 Q 8.61 4.70 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.47 0.00 136 C 9.33 5.29 0.00 2.79 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 0.00 137 L 8.98 5.15 0.00 1.76 1.57 0.96 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 138 I 9.29 5.21 1.88 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 0.74 1.33 0.97 0.00 0.00 139 S 8.44 4.90 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 0.00 140 G 7.14 3.80 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 0.00 141 W 8.54 4.88 0.00 3.03 2.96 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 0.00 142 G 8.40 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 0.00 0.00 0.00 143 N 8.95 3.76 0.00 2.38 2.67 0.00 0.00 7.13 7.74 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 0.00 144 T 8.38 5.08 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 145 K 7.72 4.62 0.00 1.66 1.69 0.00 1.70 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.30 1.36 7.81 146 S 8.79 4.21 0.00 3.86 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 0.00 147 S 7.94 4.47 0.00 3.81 3.80 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 0.00 148 G 7.87 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 T 8.15 4.64 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 1.18 0.00 0.00 150 S 9.35 4.37 0.00 3.76 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 0.00 151 Y 8.60 5.08 0.00 2.98 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 0.00 152 P 0.00 4.68 0.00 2.48 2.10 0.00 4.21 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.06 0.00 153 D 8.79 4.58 0.00 2.80 2.96 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 0.00 154 V 7.39 5.44 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 0.94 0.00 0.00 0.96 0.00 0.00 155 L 8.17 3.17 0.00 1.16 1.26 -0.73 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 156 K 8.06 4.87 0.00 1.68 1.51 0.00 1.61 0.00 0.00 1.54 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.48 7.81 157 C 8.74 5.21 0.00 1.55 2.21 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 0.00 158 L 8.57 4.99 0.00 1.72 1.47 1.03 0.73 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 0.00 159 K 9.02 5.13 0.00 1.82 1.82 0.00 1.89 0.00 0.00 1.76 0.00 0.00 2.79 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.61 7.81 160 A 9.29 4.88 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 P 0.00 5.01 0.00 2.03 2.09 0.00 3.00 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.74 0.00 162 I 8.51 4.45 1.91 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 1.14 0.76 0.80 0.00 0.00 163 L 8.74 4.77 0.00 1.54 1.61 0.93 0.75 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 0.00 164 S 8.43 4.39 0.00 4.01 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 0.00 165 D 8.70 4.41 0.00 2.77 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 S 8.03 4.15 0.00 4.06 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 S 7.99 4.12 0.00 4.07 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 0.00 168 C 8.42 4.29 0.00 3.20 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 0.00 169 K 8.67 3.98 0.00 1.90 1.90 0.00 1.76 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.64 7.81 170 S 7.93 4.26 0.00 4.05 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 0.00 171 A 7.83 4.05 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 Y 7.88 4.80 0.00 3.10 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 P 0.00 4.54 0.00 2.08 2.05 0.00 3.91 0.00 0.00 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.28 0.00 174 G 8.99 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 0.00 0.00 0.00 175 Q 8.13 4.51 0.00 2.50 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.70 6.67 0.00 0.00 0.00 0.00 0.00 2.31 2.55 0.00 176 I 7.88 4.31 1.98 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 1.87 0.92 1.00 0.00 0.00 177 T 8.23 4.59 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 178 S 8.54 4.36 0.00 4.01 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 0.00 179 N 7.97 5.02 0.00 3.08 3.09 0.00 0.00 6.61 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 M 7.91 5.60 0.00 1.85 2.09 0.00 0.00 0.00 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.61 0.00 181 F 8.68 5.11 0.00 3.09 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 0.00 182 C 9.03 5.39 0.00 2.99 3.10 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 0.00 183 A 9.16 5.04 1.19 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 0.00 0.00 184 G 6.85 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 184A Y 8.29 4.64 0.00 3.07 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 0.00 185 L 8.65 4.21 0.00 1.74 1.73 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 186 E 8.24 3.92 0.00 2.10 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 2.33 2.26 0.00 187 G 7.89 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 G 9.61 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188A K 7.36 5.01 0.00 1.42 1.66 0.00 1.49 0.00 0.00 0.83 0.00 0.00 2.18 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.25 7.81 189 D 8.84 4.67 0.00 2.84 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 0.00 190 S 8.84 4.86 0.00 4.02 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 0.00 191 C 9.36 4.80 0.00 2.94 3.12 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 0.00 192 Q 8.65 4.42 0.00 2.36 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.17 0.00 0.00 0.00 0.00 0.00 2.55 2.46 0.00 193 G 9.25 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 0.00 0.00 0.00 0.00 194 D 8.34 4.67 0.00 3.05 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 0.00 195 S 8.10 4.40 0.00 3.99 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 G 8.90 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 G 8.05 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 0.00 0.00 0.00 198 P 0.00 5.10 0.00 2.36 2.39 0.00 3.70 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.20 0.00 199 V 8.51 4.63 2.25 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 0.81 0.00 0.00 0.60 0.00 0.00 200 V 8.67 4.77 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 0.77 0.00 0.00 0.65 0.00 0.00 201 C 9.04 5.11 0.00 2.75 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 0.00 202 S 9.67 3.60 0.00 3.95 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 0.00 203 G 8.33 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 0.00 204 K 7.67 4.70 0.00 1.81 1.64 0.00 1.86 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.39 7.81 *209 L 8.24 4.43 0.00 1.51 1.65 1.01 0.78 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 0.00 210 Q 8.85 4.38 0.00 1.97 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.38 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 211 G 8.03 5.34 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 0.00 212 I 8.21 5.25 1.92 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 1.30 1.09 1.01 0.00 0.00 213 V 9.10 3.81 2.39 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 1.01 0.00 0.00 1.23 0.00 0.00 214 S 8.50 4.85 0.00 3.91 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 0.00 215 W 7.42 5.00 0.00 3.40 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 0.00 216 G 8.44 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 0.00 0.00 0.00 217 S 8.42 4.62 0.00 4.36 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 *219 G 7.92 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 0.00 0.00 0.00 0.00 220 C 8.20 4.94 0.00 2.95 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 0.00 221 A 8.99 4.26 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 221A Q 7.37 4.52 0.00 1.98 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.93 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 222 K 8.47 4.23 0.00 1.70 1.72 0.00 1.93 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.63 7.81 223 N 9.46 4.28 0.00 2.82 2.83 0.00 0.00 6.83 8.13 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 0.00 224 K 7.52 4.28 0.00 1.71 1.78 0.00 1.59 0.00 0.00 1.28 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.47 7.81 225 P 0.00 4.60 0.00 2.13 2.12 0.00 3.70 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.01 0.00 226 G 8.50 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 0.00 0.00 0.00 227 V 7.56 4.42 0.67 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 0.49 0.00 0.00 -0.86 0.00 0.00 228 Y 8.26 4.87 0.00 1.43 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 229 T 8.47 4.47 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 1.19 0.00 0.00 230 K 9.35 4.95 0.00 2.07 1.92 0.00 1.87 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.65 7.81 231 V 8.77 3.92 2.43 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 0.96 0.00 0.00 1.13 0.00 0.00 232 C 8.33 4.64 0.00 3.16 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 233 N 8.21 4.25 0.00 2.41 2.40 0.00 0.00 6.82 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 234 Y 8.20 4.76 0.00 3.17 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 235 V 7.93 3.66 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 1.09 0.00 0.00 1.07 0.00 0.00 236 S 8.11 4.14 0.00 3.97 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 0.00 237 W 8.28 4.13 0.00 3.52 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 0.00 238 I 8.40 3.21 2.04 0.00 0.00 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 1.71 1.11 0.77 0.00 0.00 239 K 7.99 3.72 0.00 1.92 1.77 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.56 7.81 240 Q 8.18 3.86 0.00 1.97 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.53 0.00 241 T 7.34 3.54 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 242 I 7.30 2.73 1.45 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.15 0.34 0.00 0.00 243 A 7.78 4.01 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 0.00 244 S 7.38 4.59 0.00 4.04 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 0.00 245 N 7.89 4.68 0.00 3.06 3.06 0.00 0.00 6.75 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.