NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -3 H 5.0034 8.3033 117.8465 55.9336 30.6248 174.9218 -2 H 4.3776 8.2579 118.7810 57.4294 28.4369 175.3019 -1 H 4.0983 7.7890 120.2145 58.9363 30.0681 176.4874 0 S 4.0435 8.2209 114.3119 61.7563 62.5867 175.8944 1 L 4.2434 7.9755 122.3217 57.5117 42.0296 178.6015 2 G 3.7242 7.7601 104.5050 47.5558 0.0000 175.9312 3 L 3.8699 7.5436 120.7487 54.8611 41.5995 179.4230 2 I 3.9342 7.4301 115.6050 63.5558 38.7765 177.4312 3 K 3.8499 7.6736 119.3487 55.9611 32.2995 178.4230 7 T 4.2487 8.1241 112.6617 65.7317 68.7245 175.8000 8 A 4.1141 8.0216 123.4517 53.0266 19.0937 176.7823 9 E 3.7171 8.0796 113.8823 57.6248 26.2640 173.7612 10 C 4.6817 7.6610 117.1229 59.6240 29.8461 173.6401 11 R 4.5847 7.9943 118.2967 54.1556 33.7850 176.1767 12 A 3.9787 8.8925 125.1910 55.5310 18.2455 178.5059 13 E 4.3658 7.9366 109.6108 56.9214 30.3140 176.1476 14 H 4.9205 8.2505 117.9139 56.1012 30.4075 174.2690 15 R 5.0756 10.5044 120.7556 54.5042 32.8700 175.2131 16 V 4.6787 9.2511 123.4790 60.8531 34.9152 173.8146 17 L 4.5649 8.0495 129.0289 53.0927 44.3358 174.3614 18 D 5.1810 8.7991 127.3844 52.2713 42.5869 174.8542 19 I 4.3218 8.7451 128.1763 60.0009 38.7325 176.2703 20 G 3.9818 8.8370 114.5357 46.8165 0.0000 174.5754 21 A 4.3972 7.9268 123.0798 52.3123 19.7757 179.6427 22 G 3.9562 8.3481 103.8397 46.0228 0.0000 174.7479 23 A 3.8423 8.5641 125.7537 53.0478 18.3878 177.6197 24 G 3.9640 8.2787 104.8515 47.4157 0.0000 176.3483 25 H 4.4911 8.4853 119.1350 58.6831 28.9273 177.3979 26 T 4.0813 8.1370 117.0137 66.7376 68.2744 176.4606 27 A 4.1382 8.3928 120.8906 55.2090 18.5803 179.1096 28 L 4.2234 8.1511 116.8850 57.5228 41.6580 179.1068 29 A 4.0063 7.8575 119.9124 55.5021 18.5530 179.5457 30 F 4.2287 8.5495 116.0258 60.1505 38.7558 177.8452 31 S 4.1440 8.1925 114.6208 61.3532 62.3365 175.0290 32 P 4.1989 0.0000 0.0000 64.4298 31.0107 176.5423 33 Y 4.7168 7.7831 113.6078 57.9940 39.0171 175.4039 34 V 4.8181 7.1583 110.1910 59.0419 35.3700 175.7222 35 Q 4.1778 8.9319 122.3519 58.9958 29.2036 175.9562 36 E 4.9001 8.0214 118.8178 54.9463 33.5801 172.7681 37 C 5.2009 8.8761 124.3041 58.0980 30.9090 172.8500 38 I 4.9004 8.8991 124.0586 59.4119 40.4216 174.8662 39 G 4.5052 8.6156 111.5208 44.6174 0.0000 171.7982 40 V 5.6655 8.6549 116.5540 58.8990 35.2142 174.2922 41 D 5.0067 8.4147 121.1547 53.0305 44.5721 176.0233 42 A 4.3877 9.0513 126.1694 54.5317 18.9171 178.6449 43 T 4.1663 7.7096 105.4883 61.0416 69.7603 174.8976 44 K 4.0961 8.7465 126.9474 59.3044 32.5426 178.4977 45 E 4.0383 8.2182 115.5667 57.0165 29.6274 178.7727 *47 V 4.0258 7.9342 120.7111 63.8730 33.5380 177.3766 48 E 4.0652 8.0693 120.1296 58.9619 29.2762 178.8821 49 V 3.4342 7.3249 117.8308 66.3841 31.3778 177.6369 50 A 3.6964 7.7195 119.5555 55.1616 17.8766 179.5402 51 S 4.4917 7.8964 112.6914 61.2948 63.4301 176.8546 52 S 4.1547 8.5441 118.3989 61.1973 62.8189 176.0939 53 F 4.3115 8.4835 124.4583 60.9019 38.9646 176.5378 54 A 4.0167 8.3216 120.4496 55.6596 18.2142 179.4093 55 Q 3.9371 8.0151 117.3929 59.3328 28.8786 178.1232 56 E 4.0175 8.5670 119.8323 58.6989 29.6729 177.8715 57 K 4.2882 7.8350 116.3932 56.3243 33.7022 179.0669 58 G 3.7047 7.1004 105.4109 46.9077 0.0000 174.2665 59 V 4.3903 7.7427 117.6966 59.8999 34.1621 176.5368 60 E 4.1493 8.8387 124.3976 59.0082 29.9334 177.1205 61 N 4.7705 8.0683 113.8578 53.0365 38.6674 174.9555 62 V 4.8551 7.5781 112.5735 60.0455 34.4298 175.3616 63 R 4.5409 8.3697 121.8471 54.7629 34.6548 174.5489 64 F 5.3583 8.5833 121.3114 56.5661 41.6834 174.4784 65 Q 4.6639 8.7169 116.6775 55.8365 32.1099 172.5828 66 Q 4.8437 8.6190 121.4693 54.8512 30.5833 174.8346 67 G 4.0656 8.1143 112.2463 46.7573 0.0000 171.3504 68 T 4.8569 7.5796 108.6402 59.5141 71.1442 175.5475 69 A 3.8400 8.0713 125.2001 55.0150 18.6103 179.4645 70 E 4.1643 7.7884 113.4418 58.4058 30.0729 177.6521 71 S 4.6997 7.2817 112.8692 57.1427 63.3331 172.9447 72 L 4.1421 9.7862 125.5908 53.2232 42.5757 177.1351 73 P 4.0073 0.0000 0.0000 65.4072 31.4645 177.0150 74 F 4.5812 6.6842 116.6271 56.3229 39.4539 173.1599 75 P 4.6083 0.0000 0.0000 61.8677 31.9650 176.3608 76 D 4.5408 8.4202 119.4952 55.7533 41.5855 176.1485 77 D 4.5996 9.0444 120.0014 54.8945 38.7114 174.0941 78 S 4.6405 8.4865 106.7975 57.6730 64.5382 175.0656 79 F 4.7495 7.9008 117.2343 57.0283 42.9776 175.2452 80 D 4.4589 8.9001 122.0610 56.6047 42.1960 176.5650 81 I 5.2157 7.6499 117.6441 59.5865 42.0616 174.3400 82 I 4.9933 8.8325 126.2248 59.6832 40.6683 174.3772 83 T 5.0517 8.4384 117.2194 60.1965 71.5820 173.3325 84 C 5.0047 8.9638 124.2856 58.0397 34.9612 172.4508 85 R 4.6854 8.5724 126.4792 55.0535 32.1953 174.3604 86 Y 4.4654 8.3319 124.6429 58.1922 36.5941 172.1624 87 A 4.5718 7.7160 121.8306 52.8673 21.8061 179.1963 88 A 2.5800 7.5964 118.6115 54.9614 18.7249 178.6193 89 H 5.2291 7.7416 109.3368 57.0087 28.6971 176.3335 90 H 4.9844 7.5393 116.7167 56.4791 29.5878 175.6656 91 F 4.7815 7.7298 118.8038 57.5799 39.1419 175.6427 92 S 4.5082 8.8226 117.6572 59.8755 63.8540 174.6243 93 D 4.7416 8.2928 121.2931 51.9784 42.2267 175.4102 94 V 3.9362 8.1723 124.8251 64.1784 31.6606 178.1179 95 R 3.8739 8.0847 118.3283 59.2518 29.9362 178.4745 96 K 3.8625 8.2368 118.0379 59.5574 32.2484 178.1330 97 A 4.2458 7.9074 122.3386 54.7324 18.2482 179.8481 98 V 3.5213 7.9994 116.4133 66.0360 31.5343 178.1909 99 R 4.3027 7.6439 119.6349 58.9508 29.8752 178.4506 100 E 3.8971 8.5581 118.7897 59.2334 29.4746 179.1391 101 V 3.3421 8.2770 118.5147 65.9879 31.1563 177.5575 102 A 3.8056 7.9614 119.0247 55.3161 18.4393 179.0499 103 R 3.9616 7.9931 116.8037 59.9580 30.2272 178.8667 104 V 4.0841 7.9841 110.7037 61.9924 31.9629 175.8860 105 L 4.5201 7.4681 122.3097 54.6231 43.3469 176.7959 106 K 4.3152 8.9602 125.4855 55.7984 33.7896 176.2356 107 Q 4.1851 8.5363 120.5306 57.1655 29.0752 176.2966 108 D 4.3915 9.2237 121.7760 55.0438 39.7091 174.2375 109 G 3.9375 7.8404 106.7744 46.2544 0.0000 173.1705 110 R 5.2241 8.7090 119.5441 54.1173 33.4666 175.2261 111 F 5.3412 9.5072 125.8127 56.7755 41.6764 174.3770 112 L 4.5527 9.0973 128.8536 53.3490 42.9348 175.7587 113 L 4.5662 8.0372 127.7844 53.1072 43.8428 175.0218 114 V 4.4833 8.1459 127.3063 60.5173 33.8006 174.0098 115 D 4.5700 7.8413 125.1150 53.7625 44.6698 173.7673 116 H 5.6954 9.1025 117.2892 54.8028 30.1421 173.9743 117 Y 5.1808 7.7805 115.6351 55.2748 40.6475 174.5409 118 A 4.3661 8.5584 122.7300 51.5172 19.6959 175.9579 119 P 4.6100 0.0000 0.0000 62.0763 32.3190 176.7715 120 E 4.0579 8.7176 119.2091 59.3474 29.7635 178.0826 121 D 4.3968 8.0904 118.9981 53.6044 42.0177 174.7778 122 P 4.5034 0.0000 0.0000 66.0340 31.0801 178.6356 123 V 3.8114 8.5848 118.4346 65.9257 31.6754 177.9859 124 L 4.1752 7.9702 118.2772 57.8241 41.4291 178.4815 125 D 4.4566 8.6488 118.4276 57.6882 41.0764 178.0326 126 E 3.9964 8.5679 118.8438 59.5570 29.5784 179.1261 127 F 4.1227 8.2993 120.4743 61.6201 39.0431 177.7223 128 V 3.3660 7.9168 118.0279 64.4598 31.2086 178.1361 129 N 4.3568 8.2178 117.3962 56.5053 38.5918 176.9070 130 H 4.1534 8.9865 120.3488 59.0083 29.9926 177.0585 131 L 3.7499 7.7428 122.3202 57.8010 41.7618 178.5212 132 N 4.5311 7.7265 115.7164 55.6995 38.5123 177.4303 133 R 4.0588 7.8447 119.4254 59.1740 30.1756 178.3598 134 L 4.0347 7.4293 117.7695 57.7065 41.7357 179.1460 135 R 3.9596 7.5659 116.5329 57.9901 30.5132 176.3301 136 D 4.6842 8.4347 125.2178 51.2645 41.3272 174.4965 137 P 4.4058 0.0000 0.0000 64.7928 31.2390 177.2658 138 S 4.4791 8.8225 113.3725 58.5415 63.1879 173.3194 139 H 4.5425 8.4361 122.6653 55.7915 29.4885 174.9240 140 V 3.8137 8.6388 128.3902 63.8477 32.0074 175.6240 141 R 4.6208 7.2100 115.4646 55.4385 33.7784 172.5452 142 E 4.9373 9.6444 126.0098 54.5820 30.5272 175.6804 143 S 4.7197 8.6310 120.1114 58.3048 64.2092 174.1766 144 S 5.0274 8.9266 115.6746 56.7389 64.4387 175.4419 145 L 4.1098 8.5324 120.6351 57.5766 41.1759 179.6419 146 S 4.0071 8.3533 114.3929 61.7531 62.5609 176.3944 147 E 3.8787 7.8162 121.1818 58.7821 29.2369 179.2886 148 W 4.3653 7.9555 117.8078 59.7709 29.4237 178.3266 149 Q 3.7835 8.0785 117.8494 58.5944 28.0584 179.7126 150 A 4.1849 8.0876 119.4849 52.6079 18.2713 179.2921 *152 F 4.7416 7.9883 120.3669 59.3603 40.9332 177.7811 153 S 4.3015 8.7133 113.5802 61.1467 62.2464 175.1869 154 A 4.2548 8.1332 122.0884 54.1145 18.2599 177.2298 155 N 5.0039 8.4157 114.6444 53.3688 40.0966 174.3932 156 Q 3.6354 8.2843 112.8220 57.4249 26.5694 173.5512 157 L 5.2447 7.8888 114.8600 52.8967 45.2099 177.1256 158 A 4.6106 8.9421 126.3759 51.0956 19.9026 175.2854 159 Y 5.0131 8.8092 123.8496 57.3914 40.4168 174.7132 160 Q 4.2955 8.1077 126.8081 54.5948 32.9634 172.9621 161 D 4.4793 8.4770 126.7457 53.2735 40.8340 175.9234 162 I 3.8825 8.4521 127.8846 63.7628 37.9048 176.8804 163 Q 4.5551 7.6596 118.8950 55.3371 32.2921 173.7952 164 K 5.2026 8.9983 126.3217 55.0083 34.3968 175.7661 165 W 4.6369 7.5950 123.5702 56.7072 30.9893 173.9723 166 N 4.8252 8.8750 120.6366 53.2632 39.2929 174.3790 167 L 4.6528 9.1258 126.5150 52.8723 43.3314 173.7975 168 P 4.8008 0.0000 0.0000 62.5021 32.3446 176.1667 169 I 4.2711 8.3531 123.4847 59.5134 41.1550 174.7457 170 Q 4.3862 8.4337 125.5659 54.9105 29.2537 175.6861 171 Y 4.2147 8.6160 126.3457 60.9065 38.7953 177.7302 172 D 4.2497 8.3339 118.1813 57.3599 41.2975 178.0677 173 S 4.0621 8.0249 112.9662 61.0258 62.6908 175.4069 174 W 4.3686 8.0891 131.2195 60.7884 30.1187 177.7937 175 I 3.2565 7.4796 117.9031 64.4327 36.8622 177.9292 176 K 3.8300 7.5470 118.8417 60.2385 31.7259 179.0872 177 R 3.9613 8.2444 118.0612 59.3833 30.0711 178.9825 178 G 3.5126 7.8974 104.0383 44.8814 0.0000 175.3688 179 G 3.8556 7.7833 108.5204 45.3961 0.0000 174.1517 180 T 3.8357 6.8639 109.3565 61.3401 69.1417 172.9638 181 P 4.4710 0.0000 0.0000 62.1089 33.3829 177.6899 182 A 4.0346 8.3981 121.2631 55.0062 18.5867 179.0126 183 D 4.3190 8.1317 116.9937 57.4002 41.3082 178.0934 184 R 3.8561 7.8543 117.5008 59.4521 30.2475 178.3238 185 E 4.0343 8.3962 119.0482 59.6769 29.5263 179.1957 186 K 3.9996 8.0446 118.1144 59.3363 31.9246 179.4829 187 Q 3.9465 8.5468 118.9104 58.8235 28.6283 178.1277 188 I 3.6700 7.8474 120.4902 64.9191 37.1979 178.2380 189 I 3.6719 8.0283 120.2137 64.5272 36.9094 178.6797 190 T 3.7401 7.9482 116.6553 66.7097 68.0362 175.8791 191 H 4.0485 8.1105 119.0852 59.5962 30.0404 177.0105 192 L 4.2207 8.1583 120.7271 57.8244 41.1911 179.2339 193 N 4.6358 8.1635 115.4474 55.3590 38.4838 176.1517 194 H 4.8742 7.8614 115.6710 54.3005 29.7416 174.3737 195 A 4.1160 7.1939 122.8609 52.6336 18.6953 179.2372 196 S 4.3432 8.3964 116.8106 58.1044 65.0697 175.5053 197 D 4.2660 8.4590 121.7731 57.7814 40.5367 178.8065 198 E 3.8532 8.2144 118.1681 59.3145 29.3673 179.4005 199 A 3.6698 7.5879 120.5254 54.9700 18.2216 179.8535 200 R 3.9731 8.0076 114.1514 58.5036 29.3081 178.4263 201 D 4.2336 7.9404 119.7258 57.8229 41.1874 178.2904 202 T 3.6793 7.7446 115.1163 65.3003 68.4689 175.1920 203 F 5.0571 7.6520 118.5146 56.7207 39.5381 175.0324 204 C 4.1229 7.9945 116.7246 60.2759 26.2397 173.1154 205 I 4.2381 7.3596 118.4409 62.4340 37.3853 176.1036 206 T 4.6849 9.4011 124.3033 61.6824 71.2127 173.3351 207 L 5.2433 8.4143 125.1074 52.7218 45.6603 176.3497 208 N 4.5868 9.6371 120.0626 52.8176 39.1910 176.5429 209 Q 3.9761 8.6104 121.9532 58.8229 29.1950 176.9265 210 N 4.5617 8.0646 113.0364 53.1982 37.5875 175.7817 211 G 3.9158 8.2353 108.5759 45.3087 0.0000 173.9011 212 Q 3.9592 7.7697 121.8663 55.2354 29.5073 173.1714 213 P 4.6263 0.0000 0.0000 62.4511 32.3708 176.1229 214 I 4.1899 8.3631 124.8408 63.3872 37.9337 175.7084 215 S 5.0352 8.5676 114.7636 58.0830 66.8389 173.1199 216 F 5.2649 7.5981 114.2255 56.9562 41.1464 172.2032 217 C 5.3561 8.9841 115.2982 58.6337 31.6642 174.3918 218 L 4.6520 8.9530 123.0730 53.5447 44.4298 175.9052 219 K 4.3263 8.2950 119.4845 55.1165 32.9495 176.1721 220 A 4.7057 8.0728 127.7002 51.0295 21.2305 175.2206 221 I 4.3008 7.1295 117.8266 60.1866 42.5542 173.3347 222 L 4.8160 8.6228 126.2978 53.3050 44.4960 175.1076 223 I 4.1809 7.9577 127.5827 60.3898 38.9233 174.8826 224 Q 5.0113 9.1205 127.1377 54.1954 32.0274 174.3633 225 G 5.2983 9.1459 112.5475 45.4889 0.0000 171.6990 226 I 5.1466 8.2066 122.2868 58.9274 41.3552 174.4606 227 K 4.5586 8.8464 128.8648 55.8827 32.3976 175.3977 228 R 4.9691 8.3877 130.0336 56.1808 32.0748 176.8497 229 E 4.7947 8.8105 127.3437 56.0829 33.8106 175.3005 230 G 3.7432 8.3262 107.6807 46.1726 0.0000 172.7628 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 -3 H 8.30 5.00 0.00 3.27 3.52 0.00 5.59 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -2 H 8.26 4.38 0.00 3.29 3.34 0.00 5.63 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 H 7.79 4.10 0.00 3.17 3.18 0.00 5.62 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 S 8.22 4.04 0.00 4.22 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 0.00 1 L 7.98 4.24 0.00 1.75 1.80 1.09 1.12 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 2 G 7.76 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 7.54 3.87 0.00 1.80 1.59 0.66 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 2 I 7.43 3.93 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.80 0.91 0.00 0.00 3 K 7.67 3.85 0.00 2.02 1.72 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.13 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.43 7.81 7 T 8.12 4.25 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 8 A 8.02 4.11 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.08 3.72 0.00 2.14 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 2.38 2.26 0.00 10 C 7.66 4.68 0.00 2.98 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 11 R 7.99 4.58 0.00 1.20 1.84 0.00 3.18 0.00 0.00 3.38 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 12 A 8.89 3.98 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 13 E 7.94 4.37 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 14 H 8.25 4.92 0.00 3.29 3.28 0.00 5.59 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 R 10.50 5.08 0.00 1.65 1.81 0.00 3.28 0.00 0.00 3.05 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 16 V 9.25 4.68 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 0.27 0.00 0.00 0.87 0.00 0.00 17 L 8.05 4.56 0.00 0.27 0.44 0.68 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 18 D 8.80 5.18 0.00 2.77 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 19 I 8.75 4.32 2.07 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 1.18 0.71 0.98 0.00 0.00 20 G 8.84 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 21 A 7.93 4.40 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 0.00 0.00 0.00 0.00 0.00 22 G 8.35 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 23 A 8.56 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 G 8.28 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 25 H 8.49 4.49 0.00 3.43 3.54 0.00 5.82 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 T 8.14 4.08 4.63 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 1.48 0.00 0.00 27 A 8.39 4.14 1.54 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 0.00 0.00 28 L 8.15 4.22 0.00 1.82 1.75 1.03 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 29 A 7.86 4.01 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 F 8.55 4.23 0.00 3.23 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 S 8.19 4.14 0.00 4.19 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 32 P 0.00 4.20 0.00 0.96 1.83 0.00 3.29 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 1.55 1.93 0.00 33 Y 7.78 4.72 0.00 3.00 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 34 V 7.16 4.82 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 0.92 0.00 0.00 1.10 0.00 0.00 35 Q 8.93 4.18 0.00 2.22 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.56 0.00 0.00 0.00 0.00 0.00 2.37 2.31 0.00 36 E 8.02 4.90 0.00 2.03 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 2.27 2.45 0.00 37 C 8.88 5.20 0.00 2.80 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 38 I 8.90 4.90 1.64 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 1.16 0.85 0.99 0.00 0.00 39 G 8.62 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 V 8.65 5.67 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 0.88 0.00 0.00 1.00 0.00 0.00 41 D 8.41 5.01 0.00 2.83 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 42 A 9.05 4.39 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 43 T 7.71 4.17 4.41 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 1.21 0.00 0.00 44 K 8.75 4.10 0.00 1.78 1.84 0.00 1.76 0.00 0.00 1.87 0.00 0.00 2.94 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.52 1.38 7.81 45 E 8.22 4.04 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.25 0.00 *47 V 7.93 4.03 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 1.12 0.00 0.00 1.03 0.00 0.00 48 E 8.07 4.07 0.00 1.98 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 2.50 2.32 0.00 49 V 7.32 3.43 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 0.86 0.00 0.00 0.96 0.00 0.00 50 A 7.72 3.70 -0.01 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 51 S 7.90 4.49 0.00 4.22 4.41 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 52 S 8.54 4.15 0.00 4.08 4.27 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 53 F 8.48 4.31 0.00 3.11 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 54 A 8.32 4.02 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 Q 8.02 3.94 0.00 2.39 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 56 E 8.57 4.02 0.00 2.20 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 2.35 2.40 0.00 57 K 7.83 4.29 0.00 1.66 1.66 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.20 1.23 7.81 58 G 7.10 3.70 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 0.00 0.00 0.00 59 V 7.74 4.39 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.94 0.00 0.00 60 E 8.84 4.15 0.00 1.95 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 2.30 2.23 0.00 61 N 8.07 4.77 0.00 2.93 3.03 0.00 0.00 6.11 7.68 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 62 V 7.58 4.86 1.84 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 0.79 0.00 0.00 0.90 0.00 0.00 63 R 8.37 4.54 0.00 1.69 1.73 0.00 3.14 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 64 F 8.58 5.36 0.00 2.99 3.06 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 65 Q 8.72 4.66 0.00 2.16 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.86 0.00 0.00 0.00 0.00 0.00 2.45 2.36 0.00 66 Q 8.62 4.84 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.03 0.00 0.00 0.00 0.00 0.00 2.28 2.64 0.00 67 G 8.11 4.07 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 0.00 0.00 0.00 68 T 7.58 4.86 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 69 A 8.07 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 E 7.79 4.16 0.00 1.89 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 2.30 2.45 0.00 71 S 7.28 4.70 0.00 3.68 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 L 9.79 4.14 0.00 1.78 1.61 0.98 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 73 P 0.00 4.01 0.00 1.75 1.87 0.00 3.12 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.26 0.00 74 F 6.68 4.58 0.00 3.15 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 75 P 0.00 4.61 0.00 2.04 2.00 0.00 3.79 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.14 0.00 76 D 8.42 4.54 0.00 2.64 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 D 9.04 4.60 0.00 2.72 2.68 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 0.00 0.00 0.00 78 S 8.49 4.64 0.00 3.39 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 F 7.90 4.75 0.00 2.87 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 80 D 8.90 4.46 0.00 2.43 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 81 I 7.65 5.22 1.74 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 1.31 0.58 0.79 0.00 0.00 82 I 8.83 4.99 1.99 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.69 1.00 0.00 0.00 83 T 8.44 5.05 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 0.73 0.00 0.00 84 C 8.96 5.00 0.00 3.32 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 85 R 8.57 4.69 0.00 1.83 1.85 0.00 3.55 0.00 0.00 3.33 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.37 0.00 86 Y 8.33 4.47 0.00 3.17 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 87 A 7.72 4.57 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 A 7.60 2.58 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 89 H 7.74 5.23 0.00 3.11 3.54 0.00 5.53 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 H 7.54 4.98 0.00 3.48 3.50 0.00 5.68 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 F 7.73 4.78 0.00 3.08 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 92 S 8.82 4.51 0.00 4.01 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 D 8.29 4.74 0.00 2.77 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 94 V 8.17 3.94 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.91 0.00 0.00 95 R 8.08 3.87 0.00 2.04 2.05 0.00 3.26 0.00 0.00 3.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.64 0.00 96 K 8.24 3.86 0.00 1.99 1.97 0.00 1.62 0.00 0.00 1.81 0.00 0.00 3.05 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.54 1.56 7.81 97 A 7.91 4.25 1.53 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 0.00 0.00 0.00 0.00 0.00 0.00 98 V 8.00 3.52 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 1.42 0.00 0.00 99 R 7.64 4.30 0.00 2.01 2.11 0.00 3.19 0.00 0.00 3.26 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 100 E 8.56 3.90 0.00 2.15 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 2.30 2.55 0.00 101 V 8.28 3.34 1.76 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 -0.09 0.00 0.00 0.54 0.00 0.00 102 A 7.96 3.81 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 0.00 103 R 7.99 3.96 0.00 1.87 2.07 0.00 3.29 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 1.69 1.69 0.00 104 V 7.98 4.08 2.33 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 0.85 0.00 0.00 1.10 0.00 0.00 105 L 7.47 4.52 0.00 1.94 1.61 1.09 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 106 K 8.96 4.32 0.00 1.79 1.72 0.00 1.82 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.49 1.51 7.81 107 Q 8.54 4.19 0.00 1.93 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.60 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 108 D 9.22 4.39 0.00 2.78 2.76 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 0.00 109 G 7.84 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 R 8.71 5.22 0.00 1.81 1.86 0.00 3.17 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 111 F 9.51 5.34 0.00 2.84 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 0.00 112 L 9.10 4.55 0.00 1.60 1.58 1.06 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 113 L 8.04 4.57 0.00 0.43 0.71 0.59 -1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.15 4.48 1.84 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 0.39 0.00 0.00 0.97 0.00 0.00 115 D 7.84 4.57 0.00 2.58 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 0.00 116 H 9.10 5.70 0.00 3.16 3.32 0.00 5.37 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 0.00 117 Y 7.78 5.18 0.00 3.26 3.05 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 0.00 118 A 8.56 4.37 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 P 0.00 4.61 0.00 2.09 2.01 0.00 3.89 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 2.09 2.09 0.00 120 E 8.72 4.06 0.00 1.98 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 2.36 2.26 0.00 121 D 8.09 4.40 0.00 2.74 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 P 0.00 4.50 0.00 2.33 2.34 0.00 3.76 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 2.10 2.05 0.00 123 V 8.58 3.81 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 0.96 0.00 0.00 124 L 7.97 4.18 0.00 1.95 1.84 0.76 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 125 D 8.65 4.46 0.00 2.88 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 0.00 126 E 8.57 4.00 0.00 2.32 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 127 F 8.30 4.12 0.00 3.34 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 0.00 128 V 7.92 3.37 1.44 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 1.05 0.00 0.00 0.76 0.00 0.00 129 N 8.22 4.36 0.00 2.96 2.95 0.00 0.00 6.54 8.28 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 0.00 130 H 8.99 4.15 0.00 3.14 3.28 0.00 5.78 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 L 7.74 3.75 0.00 1.39 1.57 0.81 -0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 132 N 7.73 4.53 0.00 2.44 2.52 0.00 0.00 6.58 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 0.00 133 R 7.84 4.06 0.00 1.84 1.96 0.00 3.29 0.00 0.00 3.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 134 L 7.43 4.03 0.00 1.79 1.62 0.57 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 135 R 7.57 3.96 0.00 1.73 1.60 0.00 2.80 0.00 0.00 2.50 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.50 0.00 136 D 8.43 4.68 0.00 2.57 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 0.00 137 P 0.00 4.41 0.00 2.21 2.16 0.00 3.76 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 1.97 1.94 0.00 138 S 8.82 4.48 0.00 3.97 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 H 8.44 4.54 0.00 3.18 3.38 0.00 5.94 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 V 8.64 3.81 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 0.85 0.00 0.00 1.07 0.00 0.00 141 R 7.21 4.62 0.00 1.93 1.69 0.00 3.29 0.00 0.00 3.40 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.68 0.00 142 E 9.64 4.94 0.00 2.19 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 2.53 2.39 0.00 143 S 8.63 4.72 0.00 3.41 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 0.00 144 S 8.93 5.03 0.00 4.12 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 L 8.53 4.11 0.00 1.62 1.66 0.44 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 146 S 8.35 4.01 0.00 4.02 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 E 7.82 3.88 0.00 2.10 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 148 W 7.96 4.37 0.00 3.35 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 0.00 149 Q 8.08 3.78 0.00 1.94 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.08 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 150 A 8.09 4.18 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *152 F 7.99 4.74 0.00 3.49 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 0.00 153 S 8.71 4.30 0.00 3.91 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 0.00 154 A 8.13 4.25 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 N 8.42 5.00 0.00 2.67 2.73 0.00 0.00 6.95 7.26 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 0.00 156 Q 8.28 3.64 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.23 6.86 0.00 0.00 0.00 0.00 0.00 2.37 2.56 0.00 157 L 7.89 5.24 0.00 1.61 1.40 0.41 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 158 A 8.94 4.61 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 Y 8.81 5.01 0.00 3.07 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 0.00 160 Q 8.11 4.30 0.00 2.11 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.66 0.00 0.00 0.00 0.00 0.00 2.16 2.25 0.00 161 D 8.48 4.48 0.00 2.53 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 0.00 162 I 8.45 3.88 1.92 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 1.13 0.86 0.88 0.00 0.00 163 Q 7.66 4.56 0.00 2.12 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.83 0.00 0.00 0.00 0.00 0.00 2.51 2.41 0.00 164 K 9.00 5.20 0.00 1.81 1.89 0.00 2.02 0.00 0.00 1.86 0.00 0.00 2.79 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.49 7.81 165 W 7.59 4.64 0.00 3.41 3.35 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 0.00 166 N 8.88 4.83 0.00 2.69 2.82 0.00 0.00 6.81 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 0.00 167 L 9.13 4.65 0.00 1.71 1.67 1.23 0.62 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 0.00 168 P 0.00 4.80 0.00 1.93 1.92 0.00 3.73 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 169 I 8.35 4.27 0.60 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 1.12 -0.55 0.00 0.00 170 Q 8.43 4.39 0.00 1.95 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.72 0.00 0.00 0.00 0.00 0.00 2.32 2.26 0.00 171 Y 8.62 4.21 0.00 3.18 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 0.00 172 D 8.33 4.25 0.00 2.95 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 0.00 173 S 8.02 4.06 0.00 3.93 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 0.00 174 W 8.09 4.37 0.00 3.34 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 0.00 175 I 7.48 3.26 1.69 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 1.16 0.49 0.79 0.00 0.00 176 K 7.55 3.83 0.00 1.83 1.81 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.48 7.81 177 R 8.24 3.96 0.00 1.63 1.93 0.00 3.11 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.83 0.00 178 G 7.90 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 G 7.78 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 T 6.86 3.84 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 1.02 0.00 0.00 181 P 0.00 4.47 0.00 2.16 1.98 0.00 3.54 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 2.07 2.11 0.00 182 A 8.40 4.03 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 0.00 183 D 8.13 4.32 0.00 2.75 2.61 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 0.00 184 R 7.85 3.86 0.00 1.81 1.93 0.00 3.32 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.60 0.00 185 E 8.40 4.03 0.00 2.15 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 2.49 2.58 0.00 186 K 8.04 4.00 0.00 1.99 1.85 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.66 1.63 7.81 187 Q 8.55 3.95 0.00 2.19 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.68 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 188 I 7.85 3.67 2.18 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 1.76 0.72 1.29 0.00 0.00 189 I 8.03 3.67 2.00 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 1.06 0.90 0.00 0.00 190 T 7.95 3.74 4.30 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 1.00 0.00 0.00 191 H 8.11 4.05 0.00 3.12 3.42 0.00 5.95 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 0.00 192 L 8.16 4.22 0.00 1.66 1.68 0.83 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 193 N 8.16 4.64 0.00 2.90 2.96 0.00 0.00 6.92 7.50 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 0.00 194 H 7.86 4.87 0.00 3.18 3.33 0.00 5.88 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 195 A 7.19 4.12 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 0.00 196 S 8.40 4.34 0.00 4.17 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 D 8.46 4.27 0.00 2.66 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 0.00 198 E 8.21 3.85 0.00 1.96 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 199 A 7.59 3.67 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 0.00 200 R 8.01 3.97 0.00 2.01 2.16 0.00 2.74 0.00 0.00 3.07 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.65 0.00 201 D 7.94 4.23 0.00 2.87 2.76 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 0.00 202 T 7.74 3.68 3.46 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 0.22 0.00 0.00 203 F 7.65 5.06 0.00 3.03 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 0.00 204 C 7.99 4.12 0.00 3.11 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 0.00 205 I 7.36 4.24 1.89 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 1.29 0.54 0.93 0.00 0.00 206 T 9.40 4.68 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 1.22 0.00 0.00 207 L 8.41 5.24 0.00 1.46 1.49 0.91 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 208 N 9.64 4.59 0.00 2.78 2.72 0.00 0.00 6.80 7.82 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 0.00 209 Q 8.61 3.98 0.00 2.01 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.17 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 210 N 8.06 4.56 0.00 2.87 2.91 0.00 0.00 6.31 7.00 0.00 0.00 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 G 8.24 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 212 Q 7.77 3.96 0.00 2.13 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 7.06 0.00 0.00 0.00 0.00 0.00 2.44 2.43 0.00 213 P 0.00 4.63 0.00 1.12 1.66 0.00 3.14 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 1.73 0.00 214 I 8.36 4.19 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 1.41 1.02 0.93 0.00 0.00 215 S 8.57 5.04 0.00 3.93 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 0.00 216 F 7.60 5.26 0.00 3.29 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 0.00 217 C 8.98 5.36 0.00 2.94 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 0.00 218 L 8.95 4.65 0.00 1.49 1.48 1.05 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 219 K 8.30 4.33 0.00 0.79 1.10 0.00 1.64 0.00 0.00 1.86 0.00 0.00 2.66 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.09 7.81 220 A 8.07 4.71 -0.07 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 0.00 0.00 221 I 7.13 4.30 1.88 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 1.02 0.78 0.00 0.00 222 L 8.62 4.82 0.00 1.98 1.64 0.84 0.94 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 0.00 223 I 7.96 4.18 1.33 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.25 -0.08 0.00 0.00 224 Q 9.12 5.01 0.00 1.97 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.74 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 225 G 9.15 5.30 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 0.00 226 I 8.21 5.15 1.93 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.10 0.95 0.00 0.00 227 K 8.85 4.56 0.00 1.86 1.84 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.84 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.43 1.40 7.81 228 R 8.39 4.97 0.00 1.79 1.48 0.00 3.36 0.00 0.00 3.25 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.77 0.00 229 E 8.81 4.79 0.00 1.90 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.30 0.00 230 G 8.33 3.74 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.