NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 I 4.2425 7.8827 121.4374 61.2135 38.6461 173.7768 17 V 4.3028 8.7229 126.2731 61.8129 32.6193 174.4437 18 G 4.1095 8.4452 114.2673 46.6600 0.0000 173.5759 19 G 4.2666 7.8178 110.3192 44.4652 0.0000 172.7476 20 Y 4.9677 8.1180 118.2785 55.3363 42.7605 175.0710 21 T 4.1553 8.5447 117.1650 63.9020 68.9486 175.9708 22 C 4.0015 8.5365 125.5304 59.7492 35.0677 175.5835 23 G 3.9988 7.7477 104.1004 44.8286 0.0000 172.8004 24 A 4.2954 8.4513 125.6833 53.5704 18.6068 176.9363 25 N 4.2821 8.8709 119.4792 54.5829 36.0302 175.3758 26 T 4.2097 7.6347 107.6460 62.6341 69.8043 175.2481 27 V 4.0488 7.0416 122.4121 60.1759 31.2844 173.5553 28 P 4.5545 0.0000 0.0000 63.6264 32.1064 178.2522 29 Y 4.9465 6.9046 115.8384 56.8392 38.7994 174.5487 30 Q 4.5360 7.4120 123.6920 56.2883 29.5043 175.5419 31 V 4.8399 8.9483 119.4939 59.7295 35.6393 174.2836 32 S 5.1010 8.6579 117.1350 56.6523 64.6623 172.7655 33 L 4.4673 8.5609 127.7556 53.6395 43.0518 175.1045 34 N 5.7858 9.0090 122.5851 49.9492 41.9396 174.9602 *37 S 4.1585 8.4096 121.1719 58.3218 64.1015 174.4643 38 G 3.9559 9.4045 108.7639 46.2021 0.0000 172.9018 39 Y 4.5605 6.5401 114.7304 56.0269 40.0339 172.9184 40 H 4.5315 8.9269 122.0171 56.5503 30.3474 174.8441 41 F 5.1315 7.9302 119.2958 56.6610 39.5565 173.6886 42 C 4.8044 6.8792 114.9501 56.2423 44.6183 173.3934 43 G 4.3253 9.0196 109.6658 45.8024 0.0000 172.3630 44 G 4.5693 8.3248 105.5438 46.1857 0.0000 172.4436 45 S 5.4105 8.9862 115.4993 56.4007 66.7216 173.7129 46 L 4.7676 9.2466 128.2070 55.0037 42.3044 177.1273 47 I 4.5349 8.7392 119.6378 61.0736 39.4552 174.4111 48 N 4.9129 7.6510 117.1486 51.9899 39.6496 174.6928 49 S 4.3340 8.8089 111.5425 60.9071 63.2642 174.6193 50 Q 4.5681 8.1806 119.7541 55.1708 31.0533 174.1841 51 W 5.5298 8.2547 116.3376 55.5656 33.5780 174.2208 52 V 4.9632 9.2212 123.7422 61.1609 34.3074 174.1643 53 V 4.7742 8.8857 127.7663 62.0586 33.3045 174.8293 54 S 5.1195 8.9129 120.9879 57.3667 66.4379 171.6794 55 A 4.7187 8.7446 120.0103 50.0895 19.7760 178.9971 56 A 3.7160 8.4925 124.4505 55.2848 18.4784 179.1699 57 H 4.5559 8.4317 109.7506 57.4822 28.6929 175.4293 58 C 4.6603 7.9062 117.1331 57.3489 40.5681 173.3259 59 Y 4.2388 7.7183 122.2225 57.9921 38.6882 175.3063 60 K 3.3642 7.0631 123.6648 55.5774 34.9463 174.8914 61 S 4.2613 7.9462 114.5203 58.6655 64.1442 173.2408 62 G 3.6595 8.3709 106.2500 46.7208 0.0000 173.8027 63 I 4.2158 7.5220 119.6452 60.1746 39.2048 175.2957 64 Q 4.6943 8.9186 128.6065 54.2805 31.1921 174.3035 65 V 4.1477 8.7375 127.4123 62.1997 33.3988 174.6971 66 R 5.0360 8.9591 127.3357 54.7590 32.2678 175.1943 67 L 4.7293 9.2152 124.9225 52.7112 44.7073 177.5920 *69 G 4.1669 8.2218 107.1102 45.4531 0.0000 172.3894 70 E 4.5362 8.3360 118.7140 54.8312 30.3198 173.7665 71 D 4.8125 8.0356 120.1747 55.2908 44.1794 174.7339 72 N 4.8999 8.6418 121.1189 53.2959 39.2351 175.9540 73 I 3.9774 8.4830 119.8983 62.1570 37.8236 176.2368 74 N 4.8144 8.6624 118.0287 53.0217 39.3599 174.6775 75 V 4.3290 7.5130 118.2546 60.6311 34.3118 174.9418 76 V 4.0300 8.5162 126.9558 62.9662 31.2656 175.1168 77 E 4.4460 9.4691 127.3008 55.3588 30.7241 176.5973 78 G 3.9097 7.9012 105.3842 45.3764 0.0000 174.1323 79 N 4.9826 8.1271 115.9975 52.8194 40.4466 174.2096 80 E 4.5432 8.1111 118.6976 56.4846 30.7414 176.2593 81 Q 4.4479 8.9170 121.3248 54.1855 32.4453 174.1891 82 F 5.6177 8.7612 122.8939 56.0027 40.9797 175.3450 83 I 4.6572 8.8380 124.5493 59.3628 41.0062 175.3219 84 S 4.5636 8.7741 122.9693 58.3713 64.0645 173.5407 85 A 4.5677 8.6050 126.0612 52.1521 18.2988 177.7737 86 S 4.5588 8.9206 116.6769 59.8714 64.4890 174.5095 87 K 4.6350 7.4600 117.0756 55.9407 35.3092 174.7657 88 S 5.3020 8.7567 116.9074 57.0149 66.8572 173.9352 89 I 4.6080 9.1813 123.3857 59.5595 40.2766 174.9285 90 V 4.1665 8.4758 127.4873 62.3184 32.6392 175.1928 91 H 3.5273 8.6932 127.0182 55.8445 30.0187 174.4560 92 P 4.2963 0.0000 0.0000 65.2501 31.2230 177.1374 93 S 4.6754 7.8826 112.8599 58.0318 62.9838 173.1267 94 Y 4.3364 7.9783 123.4232 57.8390 38.9787 174.4535 95 N 4.7218 8.4684 126.1085 51.4376 40.0987 175.2136 96 S 3.8594 7.7343 120.0746 59.7595 63.8171 175.4595 97 N 4.3298 8.3892 119.4183 56.1494 38.3283 176.3127 98 T 3.8941 7.7890 104.9292 61.0935 69.6624 175.1967 99 L 3.7194 7.7570 120.5353 55.1674 40.0347 173.9543 100 N 4.3647 7.7585 118.4654 54.8342 39.5389 174.5476 101 N 5.0145 8.7095 120.7310 54.2771 36.1187 175.6735 102 D 4.6668 7.6720 118.4345 52.9166 40.1898 174.4807 103 I 5.0053 7.0626 120.9786 59.3370 42.2828 173.2071 104 M 5.5565 9.3078 124.8207 53.9926 35.4273 173.4209 105 L 5.4382 9.3480 119.5764 53.1873 45.2521 175.6667 106 I 5.0160 9.1193 123.2977 59.4669 40.7181 174.2633 107 K 3.8877 8.5179 128.7983 54.4991 33.6671 175.5731 108 L 4.4815 8.2776 127.7655 54.3229 41.8172 177.5508 109 K 4.2001 8.8679 123.0573 58.8843 32.4922 177.5654 110 S 4.6101 7.7283 111.5401 55.7523 66.1255 173.2629 111 A 4.3675 8.4230 123.5613 51.8800 18.6460 177.5033 112 A 4.2150 9.0250 124.4885 51.9176 19.5858 177.3897 113 S 4.4160 9.1634 116.0423 57.3129 62.7268 173.9592 114 L 4.5689 8.4978 128.2818 54.3672 42.8432 176.2697 115 N 4.8956 8.8715 119.4604 52.1319 39.7857 174.8851 116 S 4.2821 8.7412 111.6219 61.0918 62.8593 174.9746 117 R 4.3050 8.5434 119.1661 56.0143 31.0756 175.6617 118 V 4.5074 7.7784 116.0087 60.9280 33.2097 173.6369 119 A 5.1585 8.5418 128.7039 50.1577 22.7883 175.4131 120 S 4.8825 8.8059 115.2393 58.3087 64.4350 173.0806 121 I 4.4076 8.3478 122.1485 59.2000 39.5957 175.6073 122 S 4.3826 8.4223 124.5155 58.3590 63.9695 174.0640 123 L 4.3231 8.3786 123.1487 53.5929 42.2606 175.4093 124 P 4.4539 0.0000 0.0000 63.1718 31.6040 176.4106 125 T 4.1587 8.2592 109.3061 62.6033 69.9595 174.7085 *127 S 4.3337 7.5992 114.8236 57.8462 64.0412 174.1391 128 C 4.3344 8.5390 119.7857 56.7628 40.5993 173.7892 129 A 4.2043 8.1995 126.6567 52.1683 19.0030 176.9781 130 S 4.4377 8.1013 115.3645 56.8621 64.9671 173.5421 *132 A 4.4180 8.2378 124.3637 53.4934 19.2733 176.6919 133 G 4.0572 8.8602 111.1416 45.5811 0.0000 174.4888 134 T 4.0227 7.7895 117.2303 63.4763 69.4656 173.8148 135 Q 4.5854 8.5877 127.4684 56.1366 30.1327 175.3695 136 C 5.2900 9.3085 122.5264 55.1212 46.0203 172.3219 137 L 5.1921 9.1234 122.6514 53.5867 43.8207 175.0408 138 I 5.2200 9.1224 127.4337 58.8726 40.0352 174.8557 139 S 4.8581 8.3491 119.1475 56.5793 66.3487 173.1361 140 G 3.7654 7.4630 108.6087 46.2740 0.0000 172.9288 141 W 4.5340 8.5940 116.8003 56.2637 29.3304 176.9791 142 G 3.8716 8.4612 109.5686 44.0736 0.0000 173.4299 143 N 3.7044 7.9128 118.2888 54.3130 38.9225 174.5613 144 T 5.0389 8.2918 113.3326 60.4913 69.4426 174.2792 145 K 4.6128 7.7902 121.2776 54.8282 34.6690 176.1960 146 S 4.2152 8.7462 117.5634 60.1120 62.7252 174.0532 147 S 4.5734 8.1648 116.0945 58.1456 64.5387 174.3332 148 G 3.8794 9.5751 114.7509 44.5574 0.0000 171.2653 149 T 4.9554 8.0779 114.4288 62.1485 72.6168 173.9223 150 S 4.6265 9.7035 121.1186 57.4345 66.1108 171.9723 151 Y 4.8281 8.8693 125.3942 55.7668 39.1871 174.0943 152 P 4.6695 0.0000 0.0000 62.5581 32.8198 175.6264 153 D 4.7219 8.6534 118.1458 55.4042 41.8796 177.0664 154 V 5.1548 7.4654 110.7565 58.6952 34.0956 175.6486 155 L 3.2340 8.4387 125.0394 54.9091 42.9736 175.9584 156 K 4.8434 8.1778 125.0072 54.9105 35.2131 174.5891 157 C 5.2149 8.5193 119.3570 55.1595 42.4572 173.0719 158 L 5.0463 8.6983 123.2422 53.7835 45.3976 174.7516 159 K 5.0922 9.0933 125.7955 55.7085 33.3318 176.0403 160 A 4.8984 9.1655 125.4568 50.0865 23.2010 173.5549 161 P 4.9720 0.0000 0.0000 61.9312 33.6357 175.5016 162 I 4.3363 8.4130 123.1638 61.6973 37.9820 175.6306 163 L 4.8938 8.8020 127.1979 53.0552 43.4339 176.9733 164 S 4.3077 8.4835 115.2436 58.3695 63.7908 175.2157 165 D 4.4169 8.7617 122.3095 57.4930 40.4839 179.2614 166 S 4.1682 8.0562 114.7316 61.5509 63.0853 176.6540 167 S 4.1225 8.1768 118.1547 60.9112 62.8780 175.5897 168 C 4.3069 8.4560 122.2198 59.6497 43.2498 175.8154 169 K 4.0340 8.2655 118.9569 59.6375 31.6854 179.2958 170 S 4.2672 8.1967 114.5529 61.4665 62.7667 176.2870 171 A 4.0927 7.9732 122.8494 53.7697 19.5773 177.3255 172 Y 4.8138 7.8275 114.1373 54.8518 38.4267 172.2667 173 P 4.4111 0.0000 0.0000 64.2223 32.2415 177.1161 174 G 4.0176 9.0967 109.9167 46.0228 0.0000 173.7091 175 Q 4.5110 8.0530 116.7303 55.1590 31.0007 175.5333 176 I 4.3450 7.9294 119.1036 60.1034 37.8957 175.5775 177 T 4.5053 8.2525 116.2360 59.8267 70.5963 175.4886 178 S 4.3547 8.5487 115.0879 60.3165 63.1256 174.4167 179 N 5.1983 8.1754 118.1499 52.5652 38.5564 173.7930 180 M 5.5569 7.9449 116.9502 53.6708 36.0952 174.6026 181 F 5.1504 8.7888 115.6949 55.5810 42.3188 172.7206 182 C 5.4417 8.9601 116.4533 55.9993 40.7883 172.6257 183 A 5.0395 9.5274 122.7682 50.5297 22.4483 174.0948 184 G 3.9390 7.2931 106.8547 44.3208 0.0000 175.2656 184A Y 4.6106 8.4835 123.0139 56.1436 41.3712 175.9585 185 L 4.1712 8.7604 125.7785 57.4434 42.0096 179.1282 186 E 3.8747 8.2027 115.4897 57.2407 29.7540 177.6291 187 G 3.8621 7.7086 106.5246 45.2873 0.0000 173.0228 188 G 3.9962 9.6856 106.6165 44.6662 0.0000 173.3968 188A K 4.8794 7.3803 117.4042 55.2481 35.4349 175.1001 189 D 4.7031 8.8679 123.3853 53.4598 45.5392 174.9716 190 S 4.8915 8.1862 116.3028 58.4690 64.8898 171.5391 191 C 4.7218 9.0731 118.4926 55.5123 44.9598 172.3036 192 Q 4.2508 8.5607 118.9897 58.1170 28.4712 178.4240 193 G 4.3452 9.2742 110.6481 45.6829 0.0000 173.8683 194 D 4.6805 8.3135 118.4586 55.1303 41.6847 176.7420 195 S 4.4922 8.0239 116.1250 60.4556 63.4019 175.4399 196 G 4.2225 8.8771 112.6300 46.4008 0.0000 173.7458 197 G 4.4539 7.8314 107.6278 44.8012 0.0000 171.2178 198 P 5.1083 0.0000 0.0000 62.3274 33.4446 175.5654 199 V 4.5830 8.6459 121.5608 61.3892 34.0962 174.1538 200 V 4.8116 8.7652 128.7948 61.2754 34.1910 173.6577 201 C 5.0760 8.8213 124.6251 55.6611 43.9017 174.5837 202 S 3.6209 9.8490 120.4803 59.7173 60.1513 173.2431 203 G 3.9181 8.4500 104.0379 45.7044 0.0000 173.9041 204 K 4.6731 7.5757 117.7443 52.9577 35.2334 175.5579 *209 L 4.3263 8.2755 122.9204 55.4739 42.0108 175.7977 210 Q 4.5574 8.8844 125.8029 56.4044 30.9310 175.8274 211 G 5.2628 8.0142 104.6862 45.7068 0.0000 171.4708 212 I 5.3200 8.1877 119.8627 58.8264 41.2640 175.1429 213 V 3.8571 8.9862 127.3090 64.1308 31.8177 174.2565 214 S 4.8978 8.3491 120.5313 58.4642 64.3523 173.8480 215 W 4.8077 7.1367 113.9904 55.6086 31.8357 172.3783 216 G 4.0117 8.3826 108.0129 46.3071 0.0000 172.8318 217 S 4.6194 8.4891 115.6845 57.2142 62.7934 172.6088 *219 G 4.2525 7.9991 118.5971 45.3315 0.0000 172.7953 220 C 4.8548 8.4695 119.5831 56.6657 43.6318 173.7721 221 A 3.9235 9.4719 126.0365 53.2329 16.6821 177.1133 221A Q 4.5182 7.3453 118.1436 56.1592 29.7050 175.9025 222 K 4.1663 8.4933 122.3104 58.2139 32.5524 176.1751 223 N 4.2807 9.4172 121.8934 54.0235 36.9326 175.3031 224 K 4.2167 7.6537 116.8859 53.8159 32.2762 173.7540 225 P 4.6199 0.0000 0.0000 61.8780 33.2602 177.5589 226 G 3.5375 8.4190 106.4191 46.2868 0.0000 172.6598 227 V 4.4269 7.6581 123.2620 60.6851 33.8467 174.0563 228 Y 4.9704 8.1558 124.6362 55.9243 42.0072 175.0880 229 T 4.2862 8.5771 120.2052 63.7341 69.9805 174.1992 230 K 5.1392 9.3097 128.2175 55.3787 31.3431 177.2533 231 V 3.9743 8.9413 126.3753 65.7799 31.4302 174.9048 232 C 4.4000 8.3527 112.8341 58.5030 39.9324 175.1842 233 N 4.1187 8.3714 118.3789 54.9556 38.0035 175.5777 234 Y 4.9167 8.0329 117.2155 57.4798 38.7958 177.4258 235 V 3.6814 7.8456 120.9131 66.2175 31.6271 177.9087 236 S 4.1208 8.0901 114.3066 61.3535 62.7013 176.2854 237 W 4.2042 8.3153 130.5197 60.4776 30.4754 177.8202 238 I 3.0105 8.3852 120.0898 64.2244 36.6036 178.6104 239 K 3.7718 8.1575 119.4723 59.5316 31.6288 179.5638 240 Q 3.9165 7.8520 117.3309 59.0136 28.7676 178.5960 241 T 3.7173 7.5794 116.9406 66.5936 67.8956 176.8110 242 I 2.6544 7.1368 121.4747 63.9268 36.7388 178.3647 243 A 4.0893 7.7386 120.4141 54.0573 18.1503 178.2280 244 S 4.7084 7.4535 110.7779 58.1730 64.0318 174.0063 245 N 4.6949 7.9940 123.3984 53.6218 39.4054 174.1507 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 4.24 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 1.43 0.55 0.90 0.00 0.00 17 V 8.72 4.30 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.95 0.00 0.00 18 G 8.45 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 G 7.82 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 0.00 0.00 0.00 20 Y 8.12 4.97 0.00 3.01 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 8.54 4.16 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 8.54 4.00 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 7.75 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 0.00 0.00 0.00 24 A 8.45 4.30 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 N 8.87 4.28 0.00 2.88 2.93 0.00 0.00 7.15 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 7.63 4.21 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 1.27 0.00 0.00 27 V 7.04 4.05 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 0.23 0.00 0.00 0.74 0.00 0.00 28 P 0.00 4.55 0.00 2.38 2.40 0.00 3.80 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 1.96 0.00 29 Y 6.90 4.95 0.00 3.28 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 7.41 4.54 0.00 1.77 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.74 0.00 0.00 0.00 0.00 0.00 1.84 2.47 0.00 31 V 8.95 4.84 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 1.03 0.00 0.00 32 S 8.66 5.10 0.00 3.00 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 33 L 8.56 4.47 0.00 0.33 0.96 0.79 0.24 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 34 N 9.01 5.79 0.00 2.42 2.46 0.00 0.00 6.78 8.42 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 *37 S 8.41 4.16 0.00 3.70 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 38 G 9.40 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 39 Y 6.54 4.56 0.00 3.07 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 40 H 8.93 4.53 0.00 2.90 3.23 0.00 5.87 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 41 F 7.93 5.13 0.00 3.13 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 42 C 6.88 4.80 0.00 2.26 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 G 9.02 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 G 8.32 4.57 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 0.00 0.00 0.00 45 S 8.99 5.41 0.00 3.82 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 46 L 9.25 4.77 0.00 1.87 1.68 1.08 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 47 I 8.74 4.53 1.89 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 1.55 0.91 0.95 0.00 0.00 48 N 7.65 4.91 0.00 2.95 3.01 0.00 0.00 6.02 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.81 4.33 0.00 4.21 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 Q 8.18 4.57 0.00 2.11 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.90 0.00 0.00 0.00 0.00 0.00 2.02 2.21 0.00 51 W 8.25 5.53 0.00 3.32 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 52 V 9.22 4.96 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 1.09 0.00 0.00 0.99 0.00 0.00 53 V 8.89 4.77 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 1.03 0.00 0.00 1.01 0.00 0.00 54 S 8.91 5.12 0.00 3.92 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 55 A 8.74 4.72 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 56 A 8.49 3.72 0.28 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 57 H 8.43 4.56 0.00 3.39 3.60 0.00 5.55 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 58 C 7.91 4.66 0.00 3.23 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 59 Y 7.72 4.24 0.00 2.97 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 60 K 7.06 3.36 0.00 1.43 1.28 0.00 0.61 0.00 0.00 1.23 0.00 0.00 2.44 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.68 0.98 7.81 61 S 7.95 4.26 0.00 3.96 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 G 8.37 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 I 7.52 4.22 1.88 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 1.39 0.67 0.93 0.00 0.00 64 Q 8.92 4.69 0.00 1.99 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.94 0.00 0.00 0.00 0.00 0.00 2.14 2.22 0.00 65 V 8.74 4.15 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 0.98 0.00 0.00 0.90 0.00 0.00 66 R 8.96 5.04 0.00 1.66 1.88 0.00 2.64 0.00 0.00 2.50 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 1.19 0.00 67 L 9.22 4.73 0.00 1.65 1.64 1.05 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 *69 G 8.22 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.34 4.54 0.00 2.12 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 2.53 2.14 0.00 71 D 8.04 4.81 0.00 2.80 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 72 N 8.64 4.90 0.00 2.82 2.82 0.00 0.00 7.19 8.63 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 73 I 8.48 3.98 1.43 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.52 -0.53 0.00 0.00 74 N 8.66 4.81 0.00 2.83 2.87 0.00 0.00 6.62 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 75 V 7.51 4.33 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 0.78 0.00 0.00 0.95 0.00 0.00 76 V 8.52 4.03 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.98 0.00 0.00 77 E 9.47 4.45 0.00 1.97 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 2.27 2.47 0.00 78 G 7.90 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 79 N 8.13 4.98 0.00 2.71 2.79 0.00 0.00 7.14 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 8.11 4.54 0.00 1.45 1.56 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 2.62 2.46 0.00 81 Q 8.92 4.45 0.00 1.98 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.77 0.00 0.00 0.00 0.00 0.00 2.22 2.28 0.00 82 F 8.76 5.62 0.00 2.81 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 83 I 8.84 4.66 1.87 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 1.24 0.86 0.91 0.00 0.00 84 S 8.77 4.56 0.00 3.75 3.75 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 85 A 8.60 4.57 1.23 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 0.00 0.00 86 S 8.92 4.56 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 7.46 4.63 0.00 1.84 1.88 0.00 1.56 0.00 0.00 1.91 0.00 0.00 2.81 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.20 1.42 7.81 88 S 8.76 5.30 0.00 3.97 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 89 I 9.18 4.61 2.07 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.01 1.18 0.00 0.00 90 V 8.48 4.17 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.79 0.00 0.00 91 H 8.69 3.53 0.00 2.84 2.94 0.00 5.65 0.00 0.00 0.00 0.00 6.62 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 4.30 0.00 2.16 2.17 0.00 2.32 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.88 0.00 93 S 7.88 4.68 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 94 Y 7.98 4.34 0.00 3.00 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 95 N 8.47 4.72 0.00 2.58 2.45 0.00 0.00 6.56 7.03 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 96 S 7.73 3.86 0.00 3.97 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 97 N 8.39 4.33 0.00 2.75 2.78 0.00 0.00 6.93 8.17 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 98 T 7.79 3.89 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 99 L 7.76 3.72 0.00 1.40 1.84 0.65 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 100 N 7.76 4.36 0.00 2.81 2.66 0.00 0.00 7.23 6.53 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 0.00 101 N 8.71 5.01 0.00 2.96 2.65 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 7.67 4.67 0.00 3.21 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 0.00 103 I 7.06 5.01 1.43 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 1.56 1.31 0.00 0.00 0.00 104 M 9.31 5.56 0.00 2.08 2.30 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.59 0.00 105 L 9.35 5.44 0.00 1.71 1.96 -0.02 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 106 I 9.12 5.02 1.92 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 1.20 0.86 0.89 0.00 0.00 107 K 8.52 3.89 0.00 0.79 0.99 0.00 1.27 0.00 0.00 1.31 0.00 0.00 2.66 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.67 0.21 7.81 108 L 8.28 4.48 0.00 1.45 1.56 0.96 0.88 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 0.00 109 K 8.87 4.20 0.00 1.64 1.83 0.00 1.61 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.52 7.81 110 S 7.73 4.61 0.00 3.89 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 0.00 111 A 8.42 4.37 1.25 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 0.00 112 A 9.02 4.22 1.24 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 0.00 113 S 9.16 4.42 0.00 3.86 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 0.00 114 L 8.50 4.57 0.00 1.70 1.61 0.96 1.10 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 0.00 115 N 8.87 4.90 0.00 2.88 2.92 0.00 0.00 6.49 7.55 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 0.00 116 S 8.74 4.28 0.00 4.01 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 0.00 117 R 8.54 4.30 0.00 1.99 2.00 0.00 3.07 0.00 0.00 3.26 7.36 0.00 0.00 0.00 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1.20 0.00 0.00 *127 S 7.60 4.33 0.00 4.00 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 0.00 128 C 8.54 4.33 0.00 2.94 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 0.00 129 A 8.20 4.20 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 8.10 4.44 0.00 3.83 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 *132 A 8.24 4.42 1.23 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 0.00 0.00 133 G 8.86 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 0.00 134 T 7.79 4.02 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 135 Q 8.59 4.59 0.00 2.06 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 136 C 9.31 5.29 0.00 2.79 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 0.00 137 L 9.12 5.19 0.00 1.75 1.58 1.00 1.12 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 9.12 5.22 1.87 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 0.72 1.59 1.01 0.00 0.00 139 S 8.35 4.86 0.00 3.50 3.58 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 0.00 140 G 7.46 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 0.00 141 W 8.59 4.53 0.00 3.17 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 8.46 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 0.00 143 N 7.91 3.70 0.00 2.23 2.57 0.00 0.00 7.12 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 0.00 144 T 8.29 5.04 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 145 K 7.79 4.61 0.00 1.97 1.89 0.00 1.76 0.00 0.00 1.78 0.00 0.00 2.99 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.33 1.37 7.81 146 S 8.75 4.22 0.00 3.86 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 S 8.16 4.57 0.00 3.87 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 0.00 148 G 9.58 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 0.00 0.00 0.00 149 T 8.08 4.96 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 150 S 9.70 4.63 0.00 3.86 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 0.00 151 Y 8.87 4.83 0.00 2.90 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 0.00 152 P 0.00 4.67 0.00 2.40 2.06 0.00 3.98 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.97 0.00 153 D 8.65 4.72 0.00 2.79 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 0.00 154 V 7.47 5.15 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 1.05 0.00 0.00 0.96 0.00 0.00 155 L 8.44 3.23 0.00 1.18 1.22 -0.70 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 156 K 8.18 4.84 0.00 1.64 1.49 0.00 1.59 0.00 0.00 1.63 0.00 0.00 2.79 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.44 7.81 157 C 8.52 5.21 0.00 1.48 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 0.00 0.00 0.00 158 L 8.70 5.05 0.00 1.70 1.47 1.04 1.02 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 0.00 159 K 9.09 5.09 0.00 1.81 1.82 0.00 1.82 0.00 0.00 1.90 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.52 1.68 7.81 160 A 9.17 4.90 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 0.00 161 P 0.00 4.97 0.00 2.02 2.09 0.00 3.02 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.74 0.00 162 I 8.41 4.34 1.88 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.50 0.80 0.00 0.00 163 L 8.80 4.89 0.00 1.52 1.60 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 164 S 8.48 4.31 0.00 4.01 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 0.00 165 D 8.76 4.42 0.00 2.74 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 8.06 4.17 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 8.18 4.12 0.00 4.10 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 C 8.46 4.31 0.00 3.21 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 K 8.27 4.03 0.00 1.79 1.92 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.20 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.73 7.81 170 S 8.20 4.27 0.00 4.02 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 0.00 171 A 7.97 4.09 1.16 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 0.00 0.00 172 Y 7.83 4.81 0.00 3.18 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 0.00 173 P 0.00 4.41 0.00 2.09 2.06 0.00 3.83 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 174 G 9.10 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 0.00 0.00 0.00 175 Q 8.05 4.51 0.00 2.42 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.57 6.68 0.00 0.00 0.00 0.00 0.00 2.26 2.53 0.00 176 I 7.93 4.34 1.98 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 1.83 1.05 1.00 0.00 0.00 177 T 8.25 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 1.25 0.00 0.00 178 S 8.55 4.35 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 8.18 5.20 0.00 3.09 3.10 0.00 0.00 7.00 7.65 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 0.00 180 M 7.94 5.56 0.00 1.84 2.00 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 2.66 2.62 0.00 181 F 8.79 5.15 0.00 3.10 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 0.00 182 C 8.96 5.44 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 9.53 5.04 1.25 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 0.00 184 G 7.29 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 184A Y 8.48 4.61 0.00 3.08 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 0.00 185 L 8.76 4.17 0.00 1.73 1.73 0.92 0.87 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 0.00 186 E 8.20 3.87 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.26 0.00 187 G 7.71 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 0.00 188 G 9.69 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 0.00 0.00 0.00 188A K 7.38 4.88 0.00 1.55 1.76 0.00 1.37 0.00 0.00 1.35 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.45 1.27 7.81 189 D 8.87 4.70 0.00 2.78 2.51 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 0.00 190 S 8.19 4.89 0.00 3.97 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 C 9.07 4.72 0.00 2.94 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 0.00 192 Q 8.56 4.25 0.00 2.31 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.18 0.00 0.00 0.00 0.00 0.00 2.55 2.53 0.00 193 G 9.27 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 0.00 0.00 0.00 0.00 194 D 8.31 4.68 0.00 2.95 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 195 S 8.02 4.49 0.00 3.98 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 0.00 196 G 8.88 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 0.00 0.00 0.00 197 G 7.83 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 P 0.00 5.11 0.00 2.35 2.40 0.00 3.84 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.20 0.00 199 V 8.65 4.58 2.20 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 0.84 0.00 0.00 0.49 0.00 0.00 200 V 8.77 4.81 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.62 0.00 0.00 201 C 8.82 5.08 0.00 2.79 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 0.00 202 S 9.85 3.62 0.00 3.94 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 203 G 8.45 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 0.00 204 K 7.58 4.67 0.00 1.72 1.64 0.00 1.89 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.40 7.81 *209 L 8.28 4.33 0.00 1.50 1.64 1.00 0.75 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 0.00 210 Q 8.88 4.56 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.42 0.00 0.00 0.00 0.00 0.00 2.42 2.35 0.00 211 G 8.01 5.26 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 0.00 212 I 8.19 5.32 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 1.03 0.98 0.00 0.00 213 V 8.99 3.86 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 1.23 0.00 0.00 214 S 8.35 4.90 0.00 4.00 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 0.00 215 W 7.14 4.81 0.00 3.36 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 0.00 216 G 8.38 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 217 S 8.49 4.62 0.00 4.24 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 *219 G 8.00 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 8.47 4.85 0.00 2.96 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 0.00 221 A 9.47 3.92 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 7.35 4.52 0.00 2.29 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.90 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 222 K 8.49 4.17 0.00 1.71 1.73 0.00 1.91 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.59 7.81 223 N 9.42 4.28 0.00 2.82 2.82 0.00 0.00 6.80 8.27 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 0.00 224 K 7.65 4.22 0.00 1.83 1.75 0.00 1.51 0.00 0.00 1.09 0.00 0.00 2.85 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.46 7.81 225 P 0.00 4.62 0.00 2.13 2.10 0.00 3.60 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.00 0.00 226 G 8.42 3.54 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 0.00 227 V 7.66 4.43 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 0.35 0.00 0.00 -0.78 0.00 0.00 228 Y 8.16 4.97 0.00 1.43 2.28 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 0.00 229 T 8.58 4.29 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 1.20 0.00 0.00 230 K 9.31 5.14 0.00 2.14 1.94 0.00 1.81 0.00 0.00 1.85 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.66 7.81 231 V 8.94 3.97 2.35 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 1.21 0.00 0.00 1.12 0.00 0.00 232 C 8.35 4.40 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 0.00 233 N 8.37 4.12 0.00 2.31 2.27 0.00 0.00 6.69 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 0.00 234 Y 8.03 4.92 0.00 3.27 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 0.00 235 V 7.85 3.68 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 1.17 0.00 0.00 1.08 0.00 0.00 236 S 8.09 4.12 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 8.32 4.20 0.00 3.48 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 0.00 238 I 8.39 3.01 1.99 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.90 0.72 0.00 0.00 239 K 8.16 3.77 0.00 1.71 1.77 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.60 7.81 240 Q 7.85 3.92 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.95 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 241 T 7.58 3.72 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 0.76 0.00 0.00 242 I 7.14 2.65 1.36 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.03 0.52 0.00 0.00 243 A 7.74 4.09 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 7.45 4.71 0.00 3.74 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 0.00 245 N 7.99 4.69 0.00 3.02 2.98 0.00 0.00 6.73 7.44 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 * Residues marked with a * may have inaccurate shift predictions.