NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4541 8.1633 120.6024 55.4921 34.0087 173.4922 2 K 4.7942 8.4480 126.3432 54.3447 34.3987 173.8038 3 I 5.0325 9.5909 129.1751 59.4344 40.2280 174.4196 4 A 5.0702 8.8824 128.8098 50.0116 22.0748 175.1787 5 I 4.9927 8.9276 121.8961 59.5480 40.4538 174.4084 6 F 5.2410 10.0864 130.0914 55.6883 42.2928 174.3799 7 G 3.9940 7.6547 113.0125 46.1131 0.0000 171.7361 8 T 3.3861 6.8402 114.9089 60.5925 68.2259 173.1663 9 V 3.6621 8.1222 123.5463 64.0704 31.8197 175.7589 10 G 3.7119 8.9418 114.3032 45.9999 0.0000 174.8186 11 A 3.8853 7.4844 124.2208 53.0921 18.9297 179.3816 12 G 4.0623 8.1362 104.4384 45.8756 0.0000 176.0803 13 K 4.0545 8.2855 121.8578 58.9769 32.1382 179.0107 14 S 4.1310 7.9756 114.2439 61.7478 63.0742 176.5457 15 T 3.8755 7.8035 118.9853 66.3101 68.2045 176.6583 16 I 3.7952 7.7460 121.7594 64.3463 37.2627 178.6745 17 S 4.1542 8.4754 115.2005 61.3131 62.7419 176.4292 18 A 4.0119 7.9303 124.0591 54.9416 18.0112 179.4841 19 E 3.9489 8.0746 116.9501 59.4565 29.6168 179.5711 20 I 3.6936 7.9855 120.0910 64.4107 37.1884 178.4312 21 S 4.0486 8.0562 113.9403 61.0268 61.9109 176.1700 22 K 3.8287 7.7290 120.5496 59.7191 31.9847 179.2496 23 K 4.0946 7.6976 116.6265 58.3698 32.0229 178.4470 24 L 4.4045 7.4636 116.6025 53.0404 43.3056 177.3550 25 G 3.8408 8.0148 106.4878 46.2234 0.0000 173.0215 26 Y 4.8391 7.4437 115.9310 56.7142 39.3652 175.4425 27 E 3.9981 8.9154 121.7998 56.9984 30.8007 175.7956 28 I 4.6773 8.0546 124.2241 60.0513 38.9546 175.7487 29 F 4.3606 8.6626 126.1354 55.8731 39.3550 174.1209 30 K 4.6585 8.1635 122.7738 54.3316 33.4425 176.7111 31 E 4.1172 8.7913 122.5665 55.2863 30.2852 174.9444 32 P 4.2615 0.0000 0.0000 63.5186 31.8239 175.8311 33 V 3.8961 8.2381 121.1858 64.1478 33.6627 176.4579 34 E 4.0185 8.0613 117.6529 58.8796 29.5136 177.2383 35 E 4.2752 8.0057 115.3565 56.0989 29.8906 175.2767 36 N 3.9674 7.6776 119.7724 51.5018 38.7964 173.6559 37 P 4.2232 0.0000 0.0000 64.5084 32.0182 176.5059 38 Y 4.5312 7.4632 115.8144 58.3149 38.8466 177.0471 39 F 4.2258 8.0310 123.1833 61.6886 39.0931 176.7068 40 E 3.9430 8.2965 117.9214 59.2995 29.5035 178.4869 41 Q 4.0339 8.1238 117.6044 59.2555 28.4602 177.7966 42 Y 3.9497 8.4156 120.8161 61.2612 38.4581 178.0056 43 Y 3.8901 7.2441 115.3730 60.3294 38.0613 177.8183 44 K 4.3856 7.5076 119.0499 58.2318 32.8063 176.8511 45 D 4.4233 8.0090 119.0250 52.8574 42.4211 174.3971 46 L 3.7229 8.0811 125.5687 56.7631 42.4073 179.8356 47 K 3.8530 8.1655 117.5825 59.6682 31.9253 178.7997 48 K 4.2794 7.6030 113.7635 57.7455 32.3681 177.7349 49 T 4.5119 7.3069 114.1254 63.5511 71.1881 176.4654 50 V 3.7704 8.0691 115.3863 64.8918 31.5972 178.4966 51 F 3.9094 8.2886 116.4122 60.3936 38.9565 177.6296 52 K 3.6997 8.0422 117.6214 59.5704 31.7807 178.6682 53 M 3.9297 7.9038 118.2207 58.7505 32.1440 178.1751 54 Q 4.0092 8.1117 118.0398 59.2258 29.0427 178.9487 55 I 3.9264 7.7656 120.5237 64.5248 37.1180 177.8370 56 Y 4.0759 8.0805 120.0321 61.1409 38.6779 178.1745 57 M 4.1790 8.2489 119.5565 58.4256 32.0526 178.7693 58 L 4.1072 8.6586 119.5299 58.1771 41.7939 179.7299 59 T 3.8621 7.9425 115.2947 66.3660 68.2577 176.6724 60 A 3.8653 7.7749 122.6768 55.2049 18.4625 179.8172 61 R 3.9571 8.1494 116.7049 59.5513 30.1689 179.2644 62 S 4.0785 8.2288 112.8084 61.1932 62.4161 176.2212 63 K 3.8983 8.0154 121.1370 59.6157 31.7155 179.0301 64 Q 3.8945 8.2097 118.2345 59.1321 28.4938 178.8400 65 L 3.8480 8.1014 119.9622 58.1074 42.4160 178.7553 66 K 4.0627 8.0526 119.6536 59.4402 32.0612 178.5625 67 Q 4.2623 7.9217 115.0964 57.8080 28.9792 176.8429 68 A 4.5527 7.5498 122.0495 52.6664 19.4127 178.9805 69 K 3.8441 7.3659 115.7219 59.6359 32.2334 178.2874 70 N 4.4906 8.0362 114.6770 55.5856 38.9328 175.8291 71 L 4.1125 7.2199 118.2798 54.5389 41.6196 176.3182 72 E 3.9855 8.2178 124.1845 57.1628 30.3170 175.4011 73 N 4.9568 7.8631 116.1120 50.5339 40.4408 173.8595 74 I 4.9310 8.1175 116.1801 59.1592 42.0166 173.9915 75 I 5.2832 8.8345 124.0608 59.7790 40.4509 174.3817 76 F 4.9003 9.5871 126.3860 55.8191 41.1628 174.7017 77 D 4.7303 8.5090 125.2793 53.9603 40.3181 172.9482 78 R 4.4394 9.0529 128.9084 56.2248 31.8732 176.3345 79 T 4.5242 9.3656 115.4236 60.5814 70.1453 174.7872 80 L 4.3257 8.4655 120.2757 56.4523 41.7985 177.9787 81 L 5.3983 7.6175 116.1913 53.8846 41.8991 176.7609 82 E 4.3756 8.0786 117.7926 56.3352 31.0934 177.7250 83 D 4.6546 8.3467 119.6011 56.9538 41.3581 176.5848 84 P 4.4117 0.0000 0.0000 65.7605 31.0885 178.2912 85 I 3.6343 7.5722 118.3130 64.7004 37.0573 178.3945 86 F 4.0851 8.1432 117.8123 60.5534 38.6388 177.5433 87 M 3.9302 8.0306 117.4733 58.5346 32.1924 177.7647 88 K 3.9149 8.5129 121.5782 58.8634 32.2195 178.8515 89 V 3.4788 7.5202 117.8946 66.1157 31.4462 177.8828 90 N 4.3813 8.1068 116.0854 56.1628 38.2203 176.7832 91 Y 4.0722 8.2300 121.4434 60.9607 38.6312 178.0733 92 D 4.1407 7.9168 118.0076 56.5211 40.8495 177.7865 93 L 4.3961 7.3225 116.8315 53.1716 42.1599 175.9494 94 N 4.0848 7.7660 115.0385 54.4144 36.6018 175.0016 95 N 4.5896 8.6575 115.1681 54.0718 39.4339 176.0528 96 V 4.4609 7.3632 117.4405 60.1123 34.6257 175.2653 97 D 4.7735 8.6269 126.9588 52.4789 41.8292 177.1571 98 Q 4.3318 8.7594 117.9318 59.8089 28.6310 179.4472 99 T 3.9418 8.0778 115.6506 67.0570 68.5576 176.0939 100 D 4.6173 9.0767 120.9677 57.6400 40.9709 178.4352 101 Y 4.3282 8.2828 119.6131 60.9650 38.8621 177.6012 102 N 4.3438 8.5115 117.5378 56.9111 38.6792 177.4624 103 T 3.9573 8.4724 117.2075 66.7029 68.5503 176.0629 104 Y 4.2659 8.5581 121.7581 60.9624 38.8725 178.1863 105 I 3.3815 7.8051 120.8476 64.2905 36.8136 177.8072 106 D 4.2934 7.8562 118.4472 57.3341 40.8693 178.2542 107 F 4.2004 8.1827 120.9780 61.5996 39.5341 176.5209 108 Y 3.4567 8.3235 119.3781 60.5814 38.2219 177.9779 109 N 4.3463 8.1560 116.7962 55.9439 38.7777 176.4912 110 N 4.5171 7.5170 115.8464 54.3778 39.2206 176.7465 111 V 3.6770 7.4040 119.5464 65.0286 32.1916 177.2584 112 V 3.4598 6.9478 117.1401 65.4078 32.0775 177.1049 113 L 4.1745 7.0279 118.7255 54.3967 39.8313 177.0390 114 E 4.3287 7.4600 114.1563 56.1092 30.0941 176.9496 115 N 4.3740 7.8803 117.4414 53.9626 37.6358 174.8798 116 L 4.6854 7.7103 125.4732 53.1100 42.3827 177.0130 *125 F 4.5367 7.5875 115.8254 57.5584 40.5612 175.7434 126 D 4.6764 8.6650 123.8947 56.7538 41.8002 177.0365 127 I 4.5612 7.6185 117.7534 59.7354 41.9376 173.5520 128 V 4.5336 8.9003 130.1573 61.1131 33.4640 174.3304 129 I 4.8509 9.1349 130.9083 61.0893 38.5899 174.5888 130 Y 5.5937 9.4184 130.0384 56.5338 40.0852 174.7060 131 L 4.6206 9.1114 129.0638 53.7140 41.7470 175.6364 132 R 3.7121 7.8063 124.6763 54.9673 31.1131 175.5044 133 V 4.9066 7.9712 118.5982 59.2305 36.1554 175.6784 134 S 4.3755 9.3615 117.8130 58.2443 64.0155 175.6256 135 T 3.8509 8.6266 118.7758 66.9799 68.2801 176.6752 136 K 3.8241 8.1658 120.7763 59.8007 32.0023 178.6678 137 T 3.9291 7.6361 114.9083 66.2143 68.5505 176.7180 138 A 4.1855 7.6478 123.6147 54.5600 18.2710 179.6123 139 I 3.3352 7.8823 118.6683 64.6244 37.2798 178.9198 140 S 4.1001 7.5873 114.0098 61.2185 62.8325 176.6615 141 R 3.9051 7.8784 122.0433 58.8942 29.7134 178.9672 142 I 3.5189 7.6710 119.7602 64.3595 36.8810 178.6261 143 K 3.9459 8.0133 118.1484 58.8754 31.8268 179.1275 144 K 4.2691 7.7572 117.7164 58.1910 32.6631 177.9435 145 R 4.6800 8.1228 113.2497 55.4364 32.6923 177.5981 146 G 4.1763 7.5913 114.0297 45.0960 0.0000 175.8001 147 R 4.6250 10.0375 124.8143 53.9845 33.3588 176.0644 148 S 3.8447 9.0132 118.1848 61.5926 62.6584 176.7146 149 E 3.9868 8.2278 119.7856 58.9499 29.3678 178.4759 150 E 3.1298 8.3710 117.8444 58.1102 29.5523 177.5235 151 L 4.4054 7.3517 117.0862 55.1911 41.8153 177.4897 152 L 4.2433 7.3908 119.7222 56.5097 42.2171 177.4501 153 I 4.0202 7.3226 110.3555 59.4833 38.8215 175.1974 154 G 3.9358 8.0933 109.9643 44.6946 0.0000 174.6010 155 E 4.2199 8.8246 118.4916 59.3620 29.4166 178.9910 156 E 3.9229 8.3985 118.9195 59.7023 29.4940 178.3340 157 Y 3.8097 7.6774 118.9614 60.5917 38.8730 178.2606 158 W 4.5657 7.8061 119.3047 59.5833 29.1910 178.0542 159 E 4.0377 8.4025 118.7871 60.1442 28.9488 179.7731 160 T 3.9066 7.7707 115.0812 66.3602 68.3408 176.7429 161 L 3.8190 7.7889 122.3487 57.8045 41.9890 178.5937 162 N 4.3642 8.3498 117.1320 56.5750 39.0187 176.4539 163 K 3.8570 7.9922 121.1518 60.1108 32.2214 178.2646 164 N 4.5161 8.4941 116.0464 55.8971 38.4364 177.2508 165 Y 3.6589 8.2617 119.0137 60.7883 37.9055 177.7729 166 E 4.1572 8.6727 120.5505 59.4005 29.7958 178.1910 167 E 3.9435 8.2724 119.2616 59.4801 29.5832 178.5501 168 F 3.9604 8.3013 120.3366 61.4552 39.2293 176.3778 169 Y 3.8483 8.0730 117.6851 60.6758 38.6478 177.8944 170 K 3.6826 8.1382 118.3441 59.5062 32.2387 179.1765 171 Q 3.8283 8.0831 116.9952 56.6943 29.6100 175.9538 172 N 3.9402 8.1216 118.8894 53.6251 37.9582 175.2499 173 V 3.0833 7.0121 120.0811 66.0915 31.7108 175.7520 174 Y 4.2545 7.0695 113.3784 56.8495 37.9854 174.5100 175 D 4.3207 7.7989 118.4285 54.7803 40.2023 173.9761 176 F 4.5504 8.0165 115.2704 57.0400 39.6944 174.7991 177 P 4.6539 0.0000 0.0000 62.9458 30.3424 174.2867 178 F 5.2900 8.5858 125.7985 57.7318 40.4406 174.5033 179 F 5.0078 9.5106 124.9568 56.5198 42.3197 173.4938 180 V 4.3221 7.9791 126.4681 61.6634 32.5853 174.8726 181 V 4.0804 8.0658 128.0107 60.9969 34.2718 174.4973 182 D 4.3311 8.5479 127.3424 53.4043 40.3306 175.6907 183 A 4.4924 8.2514 121.7215 52.5610 18.0407 178.0649 184 E 4.0792 8.2593 117.8658 58.8854 30.0148 177.6772 185 L 4.1587 7.6327 118.3522 54.1880 42.2613 176.4626 186 D 4.6143 8.2822 120.4075 52.6347 40.8323 177.4505 187 V 3.5483 8.4668 118.6400 66.1899 31.1393 177.7671 188 K 3.8628 8.1245 117.5158 60.0593 31.9519 179.1887 189 T 3.8871 7.8664 115.2957 66.6449 68.3846 176.5390 190 Q 4.0006 8.1307 119.4519 59.3929 28.7399 178.9246 191 I 3.7197 7.6258 120.0767 64.8314 37.1454 178.0363 192 E 3.9569 7.9780 119.0336 59.6143 29.5048 179.3646 193 L 4.1986 7.9248 118.2850 57.9125 41.6191 179.9621 194 I 3.7493 7.9261 119.7312 64.8637 36.9502 178.4559 195 M 4.1213 8.4589 119.7560 58.3891 31.4770 178.6945 196 N 4.4592 8.4270 116.6640 55.9063 38.7555 177.0930 197 K 3.9536 7.5759 120.1459 59.3345 32.5896 178.7496 198 L 4.1253 8.1791 119.5059 57.4441 41.1320 178.6822 199 N 4.5893 7.4219 112.7584 53.1546 38.3498 175.2030 200 S 4.1812 7.8725 121.5865 58.9667 63.1233 174.2364 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 M 8.16 4.45 0.00 2.30 2.11 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.84 0.00 2 K 8.45 4.79 0.00 1.85 1.76 0.00 1.50 0.00 0.00 1.54 0.00 0.00 2.78 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.38 1.47 7.81 3 I 9.59 5.03 2.05 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.87 1.00 0.00 0.00 4 A 8.88 5.07 -0.02 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 5 I 8.93 4.99 1.97 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.96 1.00 0.00 0.00 6 F 10.09 5.24 0.00 3.18 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 7 G 7.65 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 8 T 6.84 3.39 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 1.14 0.00 0.00 9 V 8.12 3.66 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 1.53 0.00 0.00 10 G 8.94 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 A 7.48 3.89 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 12 G 8.14 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 13 K 8.29 4.05 0.00 1.85 2.03 0.00 1.92 0.00 0.00 1.93 0.00 0.00 3.28 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.55 1.47 7.81 14 S 7.98 4.13 0.00 4.04 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 15 T 7.80 3.88 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 1.20 0.00 0.00 16 I 7.75 3.80 2.04 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 1.60 0.58 0.96 0.00 0.00 17 S 8.48 4.15 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 18 A 7.93 4.01 1.40 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 0.00 0.00 19 E 8.07 3.95 0.00 2.12 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 2.42 2.50 0.00 20 I 7.99 3.69 1.90 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 1.42 1.09 0.93 0.00 0.00 21 S 8.06 4.05 0.00 4.01 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 22 K 7.73 3.83 0.00 1.99 1.83 0.00 1.91 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.63 7.81 23 K 7.70 4.09 0.00 1.62 1.81 0.00 1.62 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.62 7.81 24 L 7.46 4.40 0.00 0.62 0.48 0.77 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.01 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Y 7.44 4.84 0.00 2.88 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 27 E 8.92 4.00 0.00 1.90 1.50 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 2.22 2.28 0.00 28 I 8.05 4.68 1.77 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.50 0.88 0.00 0.00 29 F 8.66 4.36 0.00 1.91 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 30 K 8.16 4.66 0.00 1.60 1.72 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.13 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.52 1.42 7.81 31 E 8.79 4.12 0.00 2.14 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 32 P 0.00 4.26 0.00 2.36 2.21 0.00 3.67 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 33 V 8.24 3.90 1.88 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 0.10 0.00 0.00 0.91 0.00 0.00 34 E 8.06 4.02 0.00 1.96 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.23 0.00 35 E 8.01 4.28 0.00 2.02 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 2.28 2.29 0.00 36 N 7.68 3.97 0.00 2.82 2.67 0.00 0.00 6.90 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 37 P 0.00 4.22 0.00 1.66 1.87 0.00 2.71 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 1.59 0.00 38 Y 7.46 4.53 0.00 3.08 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 39 F 8.03 4.23 0.00 3.13 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 40 E 8.30 3.94 0.00 2.17 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 0.00 2.41 2.44 0.00 41 Q 8.12 4.03 0.00 2.39 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.60 0.00 0.00 0.00 0.00 0.00 2.50 2.49 0.00 42 Y 8.42 3.95 0.00 2.96 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Y 7.24 3.89 0.00 2.98 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 K 7.51 4.39 0.00 1.86 1.85 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.61 7.81 45 D 8.01 4.42 0.00 2.52 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 46 L 8.08 3.72 0.00 1.51 1.45 0.68 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 47 K 8.17 3.85 0.00 1.93 1.86 0.00 1.63 0.00 0.00 1.80 0.00 0.00 2.86 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.70 1.44 7.81 48 K 7.60 4.28 0.00 1.87 1.86 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.48 7.81 49 T 7.31 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 1.32 0.00 0.00 50 V 8.07 3.77 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 1.08 0.00 0.00 51 F 8.29 3.91 0.00 3.10 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 52 K 8.04 3.70 0.00 1.36 0.74 0.00 1.57 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.40 7.81 53 M 7.90 3.93 0.00 2.11 1.96 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.51 0.00 54 Q 8.11 4.01 0.00 2.25 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.56 0.00 0.00 0.00 0.00 0.00 2.37 2.06 0.00 55 I 7.77 3.93 2.09 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 1.51 1.24 1.03 0.00 0.00 56 Y 8.08 4.08 0.00 3.39 3.29 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 57 M 8.25 4.18 0.00 2.15 2.29 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 3.01 0.00 58 L 8.66 4.11 0.00 1.78 1.82 1.35 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 59 T 7.94 3.86 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 1.17 0.00 0.00 60 A 7.77 3.87 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 61 R 8.15 3.96 0.00 1.90 2.10 0.00 3.47 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.02 0.00 62 S 8.23 4.08 0.00 3.87 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 K 8.02 3.90 0.00 2.05 1.86 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.63 7.81 64 Q 8.21 3.89 0.00 2.38 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.75 0.00 0.00 0.00 0.00 0.00 2.57 2.57 0.00 65 L 8.10 3.85 0.00 1.49 1.91 0.72 0.58 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 66 K 8.05 4.06 0.00 1.96 1.90 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.42 7.81 67 Q 7.92 4.26 0.00 2.40 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.54 0.00 0.00 0.00 0.00 0.00 2.59 2.74 0.00 68 A 7.55 4.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 K 7.37 3.84 0.00 1.90 1.84 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.65 7.81 70 N 8.04 4.49 0.00 2.70 2.88 0.00 0.00 6.92 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 L 7.22 4.11 0.00 1.87 1.66 1.19 0.93 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 72 E 8.22 3.99 0.00 1.90 1.80 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 2.24 2.29 0.00 73 N 7.86 4.96 0.00 1.81 1.42 0.00 0.00 7.04 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 74 I 8.12 4.93 2.30 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.39 1.17 0.00 0.00 75 I 8.83 5.28 2.00 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 1.48 1.33 1.04 0.00 0.00 76 F 9.59 4.90 0.00 3.11 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 D 8.51 4.73 0.00 2.71 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 78 R 9.05 4.44 0.00 2.17 2.15 0.00 3.52 0.00 0.00 3.54 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.75 0.00 79 T 9.37 4.52 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 0.82 0.00 0.00 80 L 8.47 4.33 0.00 1.69 1.80 0.75 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 81 L 7.62 5.40 0.00 1.83 1.47 0.42 0.68 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 82 E 8.08 4.38 0.00 2.17 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.44 0.00 83 D 8.35 4.65 0.00 2.95 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 84 P 0.00 4.41 0.00 2.18 2.04 0.00 3.62 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.83 0.00 85 I 7.57 3.63 1.54 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.01 0.35 0.00 0.00 86 F 8.14 4.09 0.00 3.36 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 87 M 8.03 3.93 0.00 2.13 1.52 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 1.51 0.00 88 K 8.51 3.91 0.00 2.05 2.12 0.00 1.69 0.00 0.00 1.81 0.00 0.00 3.43 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.60 1.42 7.81 89 V 7.52 3.48 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 0.52 0.00 0.00 0.76 0.00 0.00 90 N 8.11 4.38 0.00 2.95 2.86 0.00 0.00 6.71 7.37 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 91 Y 8.23 4.07 0.00 2.15 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 92 D 7.92 4.14 0.00 2.76 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 93 L 7.32 4.40 0.00 1.56 1.62 0.89 1.18 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 94 N 7.77 4.08 0.00 2.74 2.77 0.00 0.00 6.88 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 95 N 8.66 4.59 0.00 2.79 2.83 0.00 0.00 6.51 8.34 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 96 V 7.36 4.46 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 1.13 0.00 0.00 0.99 0.00 0.00 97 D 8.63 4.77 0.00 3.05 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 Q 8.76 4.33 0.00 2.21 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 6.92 0.00 0.00 0.00 0.00 0.00 2.70 2.55 0.00 99 T 8.08 3.94 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 100 D 9.08 4.62 0.00 2.99 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 0.00 101 Y 8.28 4.33 0.00 3.29 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 0.00 102 N 8.51 4.34 0.00 3.14 2.92 0.00 0.00 7.11 7.14 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 0.00 103 T 8.47 3.96 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 104 Y 8.56 4.27 0.00 3.07 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 0.00 105 I 7.81 3.38 1.52 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 1.21 0.18 0.78 0.00 0.00 106 D 7.86 4.29 0.00 2.88 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 0.00 107 F 8.18 4.20 0.00 3.24 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 0.00 108 Y 8.32 3.46 0.00 2.46 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 0.00 109 N 8.16 4.35 0.00 2.84 2.83 0.00 0.00 7.01 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 0.00 110 N 7.52 4.52 0.00 2.62 2.80 0.00 0.00 6.97 7.34 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 0.00 111 V 7.40 3.68 1.17 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 0.55 0.00 0.00 0.86 0.00 0.00 112 V 6.95 3.46 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 0.39 0.00 0.00 0.45 0.00 0.00 113 L 7.03 4.17 0.00 1.81 1.60 1.22 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 114 E 7.46 4.33 0.00 1.83 1.88 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 2.26 2.22 0.00 115 N 7.88 4.37 0.00 2.66 2.76 0.00 0.00 6.83 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 L 7.71 4.69 0.00 1.54 1.54 0.89 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 *125 F 7.59 4.54 0.00 2.86 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 0.00 126 D 8.66 4.68 0.00 2.79 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 I 7.62 4.56 1.88 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.29 0.94 0.00 0.00 128 V 8.90 4.53 1.50 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 0.58 0.00 0.00 -0.05 0.00 0.00 129 I 9.13 4.85 2.03 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.52 1.11 0.00 0.00 130 Y 9.42 5.59 0.00 3.08 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 0.00 131 L 9.11 4.62 0.00 1.54 1.56 0.94 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 132 R 7.81 3.71 0.00 0.67 1.23 0.00 2.61 0.00 0.00 2.92 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.29 0.00 133 V 7.97 4.91 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 0.71 0.00 0.00 0.83 0.00 0.00 134 S 9.36 4.38 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 0.00 135 T 8.63 3.85 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 1.36 0.00 0.00 136 K 8.17 3.82 0.00 1.82 1.81 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.56 7.81 137 T 7.64 3.93 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 1.16 0.00 0.00 138 A 7.65 4.19 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 I 7.88 3.34 1.84 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 1.58 0.80 0.90 0.00 0.00 140 S 7.59 4.10 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 0.00 141 R 7.88 3.91 0.00 2.04 1.93 0.00 3.29 0.00 0.00 3.11 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.79 0.00 142 I 7.67 3.52 1.70 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 1.08 0.27 0.71 0.00 0.00 143 K 8.01 3.95 0.00 1.82 1.84 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.62 7.81 144 K 7.76 4.27 0.00 1.79 1.82 0.00 1.61 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.55 7.81 145 R 8.12 4.68 0.00 1.65 1.86 0.00 3.13 0.00 0.00 3.20 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.51 0.00 146 G 7.59 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 0.00 0.00 0.00 147 R 10.04 4.63 0.00 2.13 2.05 0.00 3.39 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.81 0.00 148 S 9.01 3.84 0.00 4.00 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 0.00 149 E 8.23 3.99 0.00 1.93 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.42 0.00 150 E 8.37 3.13 0.00 1.88 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 2.34 2.08 0.00 151 L 7.35 4.41 0.00 1.73 1.69 0.91 1.20 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 0.00 152 L 7.39 4.24 0.00 1.69 1.69 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 153 I 7.32 4.02 1.61 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 -0.16 0.73 0.00 0.00 154 G 8.09 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 0.00 155 E 8.82 4.22 0.00 2.07 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 2.48 2.38 0.00 156 E 8.40 3.92 0.00 2.03 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 2.38 2.41 0.00 157 Y 7.68 3.81 0.00 2.76 2.36 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 0.00 158 W 7.81 4.57 0.00 3.51 3.21 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 0.00 159 E 8.40 4.04 0.00 2.24 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.56 0.00 160 T 7.77 3.91 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 1.13 0.00 0.00 161 L 7.79 3.82 0.00 1.62 1.87 0.26 0.75 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 0.00 162 N 8.35 4.36 0.00 3.13 2.86 0.00 0.00 6.79 6.97 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 0.00 163 K 7.99 3.86 0.00 2.03 2.03 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.54 7.81 164 N 8.49 4.52 0.00 2.81 2.78 0.00 0.00 7.09 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 0.00 165 Y 8.26 3.66 0.00 3.28 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 0.00 166 E 8.67 4.16 0.00 2.24 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 0.00 2.44 2.55 0.00 167 E 8.27 3.94 0.00 2.38 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 0.00 2.34 2.61 0.00 168 F 8.30 3.96 0.00 3.31 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 0.00 169 Y 8.07 3.85 0.00 2.41 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 0.00 170 K 8.14 3.68 0.00 1.71 1.77 0.00 1.84 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.72 7.81 171 Q 8.08 3.83 0.00 1.98 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.61 0.00 0.00 0.00 0.00 0.00 2.27 2.25 0.00 172 N 8.12 3.94 0.00 3.02 2.75 0.00 0.00 6.65 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 0.00 173 V 7.01 3.08 1.17 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 -0.34 0.00 0.00 0.53 0.00 0.00 174 Y 7.07 4.25 0.00 2.10 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 0.00 175 D 7.80 4.32 0.00 2.69 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 0.00 176 F 8.02 4.55 0.00 2.19 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 0.00 0.00 0.00 177 P 0.00 4.65 0.00 2.24 2.27 0.00 3.69 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.18 0.00 178 F 8.59 5.29 0.00 3.23 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 0.00 179 F 9.51 5.01 0.00 3.20 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 V 7.98 4.32 1.88 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 0.51 0.00 0.00 0.79 0.00 0.00 181 V 8.07 4.08 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 0.87 0.00 0.00 0.99 0.00 0.00 182 D 8.55 4.33 0.00 2.67 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 0.00 183 A 8.25 4.49 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 0.00 184 E 8.26 4.08 0.00 2.07 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 185 L 7.63 4.16 0.00 1.66 1.58 0.90 0.89 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 0.00 186 D 8.28 4.61 0.00 2.88 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 V 8.47 3.55 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 1.05 0.00 0.00 0.91 0.00 0.00 188 K 8.12 3.86 0.00 1.83 1.86 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.53 1.55 7.81 189 T 7.87 3.89 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 0.00 190 Q 8.13 4.00 0.00 2.24 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 191 I 7.63 3.72 2.03 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 1.74 0.92 0.91 0.00 0.00 192 E 7.98 3.96 0.00 2.18 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 2.34 2.51 0.00 193 L 7.92 4.20 0.00 1.85 1.94 0.94 1.01 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 0.00 194 I 7.93 3.75 2.16 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.93 0.94 0.00 0.00 195 M 8.46 4.12 0.00 1.98 2.15 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.90 0.00 196 N 8.43 4.46 0.00 2.87 2.89 0.00 0.00 6.97 7.39 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 0.00 197 K 7.58 3.95 0.00 1.33 1.47 0.00 1.50 0.00 0.00 1.45 0.00 0.00 3.02 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.30 0.97 7.81 198 L 8.18 4.13 0.00 1.67 1.71 0.94 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 199 N 7.42 4.59 0.00 2.91 2.83 0.00 0.00 6.80 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 0.00 200 S 7.87 4.18 0.00 3.96 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 * Residues marked with a * may have inaccurate shift predictions.