NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 L 4.1060 8.1849 120.6138 54.5427 43.0209 175.8964 *5 D 4.8829 8.4140 122.6990 54.3090 42.3477 175.3008 6 V 4.5879 8.4412 119.9846 60.4897 35.4293 173.5269 7 H 5.0595 9.0909 121.0033 54.2184 30.8547 173.7569 8 V 4.7860 8.0920 123.8724 60.7147 33.6787 174.6528 9 L 4.6792 9.0770 129.4812 54.9883 41.9711 176.5085 10 F 4.9507 9.2382 126.8175 56.5784 41.6109 174.4848 11 S 4.3048 8.6319 120.0286 57.6718 64.3179 175.2188 12 G 3.5238 6.1235 108.9425 45.2024 0.0000 174.1993 13 G 3.7280 7.3042 106.4597 44.0145 0.0000 173.4962 14 K 3.6748 8.6415 119.1315 60.3987 31.8568 177.8509 15 D 4.3735 7.9745 117.5454 57.6071 40.5991 178.4883 16 S 4.0867 8.1502 112.9639 61.8931 62.1126 176.4341 17 S 4.4993 8.3280 117.7373 61.7360 62.4803 176.5530 18 L 4.3162 8.4549 122.2151 57.9768 41.3384 179.8017 19 S 4.0102 8.2822 113.9643 61.2465 62.9276 176.4464 20 A 3.9088 7.9299 123.7160 55.0104 18.1547 179.8374 21 V 3.7955 8.2512 116.8017 66.1160 31.3911 178.2121 22 I 3.6994 8.2960 119.2374 64.4551 37.3701 177.8336 23 L 4.1751 7.8191 119.7028 58.0204 41.6120 179.7452 24 K 4.2601 8.0751 120.5686 58.8305 31.9027 178.9136 25 K 4.1399 8.2671 118.0297 58.2710 31.9822 178.1484 26 L 4.5893 7.5473 117.6255 54.2731 41.8897 177.0101 27 G 3.8766 7.8507 107.1449 45.2292 0.0000 173.3736 28 Y 4.3851 7.7467 116.9653 56.9019 40.5984 174.3823 29 N 4.5734 8.5989 120.2523 51.6563 39.8525 171.4942 30 P 4.7300 0.0000 0.0000 62.3156 32.3610 175.9389 31 H 4.5015 9.2003 123.8121 53.9808 29.9285 174.6524 32 L 4.5267 8.4449 125.3817 54.4733 42.6295 176.5471 33 I 4.9211 9.0723 117.2350 59.3242 40.9829 174.4446 34 T 4.9411 8.6094 120.8170 61.9213 71.9744 172.8674 35 I 4.7348 8.4388 126.4692 60.1121 38.8176 174.6342 36 N 5.2004 8.8696 124.5892 51.6539 42.2966 174.4324 37 F 4.9764 9.4729 122.7990 56.2331 39.3311 176.1749 38 G 4.0084 9.0103 107.7535 46.7257 0.0000 175.5388 39 V 4.0744 8.5170 120.4391 63.9577 32.1646 176.0891 40 I 4.6098 7.5186 109.6665 58.7591 40.9487 173.0356 41 P 4.5091 0.0000 0.0000 62.2316 29.9879 177.0591 42 S 4.4282 7.7597 109.1232 59.6549 63.6321 175.3120 43 Y 4.6114 6.8559 118.6949 57.0893 38.1857 177.1480 44 K 3.7748 7.4558 121.5610 60.0834 32.1607 178.4605 45 L 3.9520 7.8539 119.4353 57.9546 42.0742 178.6189 46 A 4.0825 7.9910 120.4208 55.1198 18.4166 179.1796 47 E 3.7541 8.2835 117.1255 59.5512 29.5837 179.4809 48 E 3.9289 8.1241 118.3306 59.9226 29.5140 179.6648 49 T 3.8951 8.1839 115.4606 66.3476 68.3270 176.6735 50 A 3.8163 8.1775 122.8781 55.0776 18.1947 179.6694 51 K 3.8008 7.6207 115.7220 59.8006 32.1655 179.3327 52 I 3.8288 7.4671 119.0196 64.3304 37.1223 178.2833 53 L 3.9084 7.9103 119.1972 55.3134 41.3944 177.6302 54 G 3.6801 7.9314 106.3215 46.4571 0.0000 173.0627 55 F 5.2343 7.5643 116.3745 54.5999 41.9293 175.7220 56 K 4.0178 8.5211 122.6574 57.7324 32.8834 175.2552 57 H 5.3775 8.5731 122.1502 54.6124 33.3990 172.0828 58 K 4.5762 8.2439 123.7730 54.8548 36.1658 174.6198 59 V 4.6164 8.1655 125.1197 61.3745 33.1604 174.7628 60 I 4.4332 8.7005 128.7370 59.8246 39.8427 174.5113 61 T 4.7584 8.4710 124.0812 62.3710 69.2969 174.2639 62 L 4.6916 8.2387 126.8971 52.2929 45.7472 175.2623 63 D 4.6858 8.5302 119.3078 54.2459 41.5868 176.9496 64 R 4.1416 8.8449 126.4216 59.0450 30.0047 178.1355 65 K 3.8369 8.8706 120.3307 59.7571 31.5918 178.2837 66 I 3.8100 7.8289 120.1425 64.3658 37.0603 178.0742 67 V 3.7693 7.2067 118.0109 63.0692 31.9490 177.8916 68 E 3.9079 8.1472 119.9624 59.3370 29.0450 179.1553 69 K 4.0291 8.0266 118.4956 59.0278 32.2621 178.4152 70 A 4.0603 7.3342 119.2099 55.1360 18.5669 178.8225 71 A 4.1309 7.8064 119.0052 55.6460 18.3000 179.5777 72 D 4.3449 7.7189 115.0235 56.0396 41.5268 178.7404 *74 I 3.7725 7.6966 122.4508 61.4129 39.2158 178.1865 75 I 3.5043 7.8255 120.3401 64.3814 37.1502 177.1163 76 E 3.9808 8.1848 119.8964 59.6307 29.4986 177.8013 77 H 4.2469 7.8577 113.8006 56.5809 28.9795 176.1671 78 K 3.8917 8.6345 116.9193 56.7277 29.8270 174.8055 79 Y 4.8602 7.0933 114.1879 54.4585 40.4283 173.1465 80 P 4.3974 0.0000 0.0000 64.1308 31.8848 177.9126 81 G 3.9411 8.2199 105.7231 48.0632 0.0000 173.3355 82 P 4.2295 0.0000 0.0000 64.7837 31.2978 178.6389 83 A 4.0021 7.7471 118.7779 55.3045 18.4618 179.5069 84 I 3.7677 7.8568 118.2672 64.6209 37.1106 178.4897 85 Q 4.0623 8.5780 119.2257 59.2528 28.6277 178.3488 86 Y 4.0626 8.3107 120.5394 60.8160 38.8418 178.2792 87 V 3.0203 7.9713 119.0350 66.2164 31.6286 177.2459 88 H 4.1347 8.1433 117.7157 59.4523 29.7474 177.3132 89 K 3.9276 8.3341 120.4116 59.6017 31.7979 179.5749 90 T 3.7243 7.5278 116.1212 66.2463 68.2521 176.9078 91 V 3.5119 7.9861 120.5515 66.2253 31.5150 178.0793 92 L 3.9114 7.7527 118.4258 57.8467 41.1515 179.4390 93 E 3.9178 7.7935 117.5443 59.2983 29.5140 179.2433 94 I 3.8649 7.7116 119.8776 64.3535 37.2179 178.3956 95 L 4.0777 8.2433 119.9185 57.8154 40.5728 179.3829 96 A 4.0244 8.2001 120.6607 55.2965 17.9919 179.3715 97 D 4.4113 7.8070 116.3744 56.5634 40.8975 177.6401 98 E 4.2294 7.1470 114.0049 55.2613 31.1687 175.7229 99 Y 4.7821 7.4358 116.0744 56.1443 41.1242 175.4256 100 S 4.5867 8.7570 117.7284 58.9863 65.0621 173.4433 101 I 5.0136 7.7411 121.0404 59.8938 40.1723 173.6535 102 L 5.2512 9.0099 127.3622 53.0599 44.2884 175.8027 103 A 5.6639 9.3692 123.4964 49.9233 23.3830 174.5322 104 D 4.6522 8.3217 116.7603 52.9566 42.0067 175.7462 105 G 4.0774 8.5797 108.1980 45.6053 0.0000 173.8813 106 T 4.0087 8.3072 110.6801 61.6406 68.7839 173.5175 107 R 4.8367 8.1664 118.8565 53.9810 33.0545 175.8294 108 R 3.9587 8.9715 118.5853 59.7788 29.7970 177.2512 109 D 4.5630 8.0777 113.9644 55.2098 41.4284 175.8305 110 D 4.8013 7.7236 119.6112 52.6507 41.2988 177.7435 111 R 3.9114 8.6088 124.1019 58.4342 30.4427 177.2300 112 V 4.5290 7.1607 116.5459 60.4301 34.7352 172.4745 113 P 4.7452 0.0000 0.0000 62.7327 32.1781 175.7132 114 K 4.3794 9.1396 118.7602 55.7058 35.6361 175.1087 115 L 4.5258 8.7177 127.1327 54.1445 42.6295 177.6431 116 S 4.4522 9.5346 118.4744 58.1825 64.9816 174.8976 117 Y 4.2006 8.7063 123.6683 61.1892 38.5399 178.7625 118 S 4.0234 8.1811 114.5288 61.4152 63.1685 176.0170 119 E 3.9436 8.4107 122.2585 59.2689 29.1075 179.4609 120 I 3.7114 7.9393 119.8372 64.3759 36.9631 178.4694 121 Q 3.8225 7.6313 117.7552 58.9066 28.5953 178.4920 122 S 4.1790 7.7712 112.7636 61.2194 62.7341 175.6915 123 L 4.0813 7.8686 122.7760 58.1933 41.7094 179.5605 124 E 4.2627 7.9554 116.0040 56.9560 28.9736 178.9403 *126 R 4.2243 7.8732 119.9674 55.7774 31.8990 176.5733 127 K 4.2430 8.0594 113.6266 55.3070 33.1259 175.5572 128 N 4.1566 7.8791 117.1205 54.8409 37.3806 171.8758 129 I 4.8737 7.4850 111.5167 59.3301 42.3055 175.5468 130 Q 4.8191 8.7800 121.3158 54.6757 30.7212 174.3079 131 Y 5.2892 9.1939 125.0950 55.9705 41.0384 174.6704 132 I 4.3372 8.7835 128.1442 59.6252 40.0420 174.9729 133 T 4.8450 8.0305 117.3571 58.5164 68.0949 172.4651 134 P 4.1268 0.0000 0.0000 66.2066 32.2453 177.3449 135 L 4.3425 7.3720 119.7401 53.4226 39.8501 177.2565 *137 G 3.6680 7.9449 106.3115 44.3789 0.0000 169.8869 138 F 4.7394 8.2905 118.8275 55.0177 41.3317 176.3394 139 G 3.9560 8.6159 112.1323 43.9608 0.0000 173.3761 140 Y 4.1611 9.5040 122.2954 61.0131 38.8189 178.9363 141 K 3.7703 8.3913 118.3940 60.1026 32.1837 179.2709 142 T 4.0074 7.7534 115.1962 66.4096 68.4731 176.8694 143 L 3.9264 8.3628 121.5117 57.5904 41.4511 179.4072 144 R 3.6585 7.9225 118.9822 59.5373 29.8161 178.0999 145 H 4.0390 7.9021 117.3219 59.3001 29.9394 177.1439 146 L 3.3011 7.7635 120.5044 57.6053 41.3849 179.4902 147 A 3.8467 7.9996 120.9816 54.9117 18.1146 179.5519 148 S 4.2238 7.4158 111.3467 60.6502 63.3621 176.1114 149 E 4.0053 7.1055 122.1718 58.8029 29.6632 178.1306 150 F 4.6835 7.5456 116.8763 57.4881 39.4383 175.4334 151 F 5.7878 7.2461 115.9674 55.4744 42.3556 175.3759 152 I 4.1058 8.9722 124.0605 61.1958 37.8724 174.7896 153 L 5.2507 8.5565 127.4290 52.9709 43.7327 175.7302 154 E 4.7257 8.9527 123.4130 54.4790 33.9095 173.3196 155 E 4.9740 8.7449 125.3128 54.9103 30.7427 175.0572 156 I 4.6844 8.1909 127.3582 59.4100 41.1016 175.4898 157 K 4.1462 8.5994 125.0979 54.4495 32.6792 176.5940 *161 K 3.9642 8.3424 123.4881 55.9498 32.4952 175.2106 162 L 3.9765 7.9689 126.8632 55.0990 42.5111 176.1704 163 S 4.5935 8.0064 118.7229 56.0717 65.8307 173.3139 164 S 4.2129 8.1803 119.1297 57.6176 63.6102 174.0758 165 D 3.8577 8.2058 121.0146 56.5862 40.9121 177.6801 166 Y 4.3221 8.6957 120.9322 58.9758 37.1492 171.1804 167 E 3.6901 8.1368 119.4960 59.0513 29.7004 178.2962 168 A 3.9007 7.9852 120.3200 55.5134 18.3451 179.3925 169 E 3.9698 8.1463 116.2245 59.5897 29.6991 179.4380 170 I 3.7002 7.7777 119.8669 64.5609 37.1826 178.7381 171 R 4.0117 8.5182 119.1544 59.4578 29.8176 178.6366 172 H 4.1359 8.1331 118.1175 59.1212 29.8404 177.5378 173 I 3.7521 7.8564 121.7335 64.2002 37.0093 177.9875 174 L 4.0048 7.9077 119.9690 57.9085 41.5021 179.5047 175 K 4.1360 8.0420 120.3483 59.1476 31.9217 178.3178 176 E 3.9332 7.8686 117.1828 59.6866 29.5367 179.1397 177 R 4.2149 7.8282 114.8015 56.5691 30.2279 177.6539 178 G 3.9022 8.5023 107.7229 45.4712 0.0000 173.6850 179 E 4.3506 8.1229 120.2420 55.6972 30.5386 176.1353 180 S 4.6117 8.2008 113.9793 55.4196 63.4322 172.4197 181 P 4.7594 0.0000 0.0000 66.0919 31.5331 178.2433 182 E 4.0594 8.4688 117.6760 59.4059 29.3904 178.3107 183 K 3.9450 8.1307 117.0417 58.2642 32.0947 177.1516 184 Y 4.6856 7.9631 114.3076 57.2340 40.0173 175.4275 185 F 5.0000 8.1057 116.9672 54.8867 42.1088 172.7311 186 P 4.8082 0.0000 0.0000 61.3353 33.1854 174.7768 187 E 4.3635 8.3199 117.6375 55.6888 30.2656 176.5211 188 H 4.4180 8.4836 121.4631 55.7414 30.9716 176.0828 189 K 3.8538 8.1420 124.4667 57.4687 32.3248 178.0257 190 Q 3.7463 7.8770 118.8591 56.8773 28.3592 172.2608 191 T 4.4808 7.3256 112.8429 63.2186 68.8276 173.9052 192 R 4.4676 8.9236 128.2324 54.4569 32.2205 175.5188 193 V 3.8864 8.3114 126.3739 63.2978 31.3813 175.6107 194 V 4.2256 8.6666 128.1180 61.2393 33.0791 175.6150 195 G 3.9059 7.4202 109.5590 45.5126 0.0000 171.6192 196 L 4.9430 8.3858 119.6156 53.4334 41.8824 177.0308 197 K 3.9292 8.4247 125.2337 58.0877 32.4219 177.5632 198 K 4.4933 7.5069 119.1751 54.3001 34.8542 174.9805 199 E 4.2731 8.3290 122.0898 54.7708 30.3948 176.0310 200 I 3.7249 7.6950 124.6244 62.0254 37.2066 175.6349 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 L 8.18 4.11 0.00 1.62 1.67 0.90 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 *5 D 8.41 4.88 0.00 2.58 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 V 8.44 4.59 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 0.61 0.00 0.00 0.79 0.00 0.00 7 H 9.09 5.06 0.00 2.77 2.76 0.00 5.76 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 V 8.09 4.79 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 0.99 0.00 0.00 0.81 0.00 0.00 9 L 9.08 4.68 0.00 1.73 1.71 1.06 0.88 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 10 F 9.24 4.95 0.00 3.09 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 11 S 8.63 4.30 0.00 3.75 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 12 G 6.12 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 G 7.30 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.64 3.67 0.00 1.83 1.83 0.00 1.75 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.61 1.64 7.81 15 D 7.97 4.37 0.00 2.75 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 16 S 8.15 4.09 0.00 3.67 3.69 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 17 S 8.33 4.50 0.00 3.94 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 18 L 8.45 4.32 0.00 1.92 1.75 0.90 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 19 S 8.28 4.01 0.00 4.10 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 A 7.93 3.91 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 8.25 3.80 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 0.93 0.00 0.00 1.27 0.00 0.00 22 I 8.30 3.70 1.92 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.86 0.92 0.00 0.00 23 L 7.82 4.18 0.00 1.90 1.65 0.74 0.54 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 24 K 8.08 4.26 0.00 1.61 2.05 0.00 1.56 0.00 0.00 1.70 0.00 0.00 3.22 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.66 1.43 7.81 25 K 8.27 4.14 0.00 1.89 1.84 0.00 1.64 0.00 0.00 1.59 0.00 0.00 2.68 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.40 1.46 7.81 26 L 7.55 4.59 0.00 1.96 1.78 1.03 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.85 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 28 Y 7.75 4.39 0.00 2.94 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 29 N 8.60 4.57 0.00 2.79 2.90 0.00 0.00 6.92 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 30 P 0.00 4.73 0.00 1.32 1.63 0.00 3.24 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 0.79 1.73 0.00 31 H 9.20 4.50 0.00 2.64 3.13 0.00 5.81 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.44 4.53 0.00 1.68 1.33 0.70 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 33 I 9.07 4.92 1.79 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.82 0.79 0.00 0.00 34 T 8.61 4.94 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 1.37 0.00 0.00 35 I 8.44 4.73 2.03 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.54 0.44 0.00 0.00 36 N 8.87 5.20 0.00 2.74 2.53 0.00 0.00 6.81 8.32 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 37 F 9.47 4.98 0.00 3.04 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 38 G 9.01 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 39 V 8.52 4.07 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 1.01 0.00 0.00 40 I 7.52 4.61 1.79 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.66 0.68 0.00 0.00 41 P 0.00 4.51 0.00 1.80 2.17 0.00 3.61 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.86 0.00 42 S 7.76 4.43 0.00 3.98 3.99 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 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 E 8.41 3.94 0.00 2.32 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 0.00 2.32 2.36 0.00 120 I 7.94 3.71 1.98 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 1.83 0.86 0.99 0.00 0.00 121 Q 7.63 3.82 0.00 1.82 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.94 0.00 0.00 0.00 0.00 0.00 1.70 2.12 0.00 122 S 7.77 4.18 0.00 3.83 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 0.00 123 L 7.87 4.08 0.00 1.90 1.70 0.59 0.71 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 0.00 124 E 7.96 4.26 0.00 2.03 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 2.56 2.40 0.00 *126 R 7.87 4.22 0.00 1.88 2.01 0.00 3.16 0.00 0.00 3.20 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.73 0.00 127 K 8.06 4.24 0.00 1.92 1.80 0.00 1.70 0.00 0.00 1.59 0.00 0.00 3.12 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.36 7.81 128 N 7.88 4.16 0.00 2.73 2.77 0.00 0.00 6.85 7.94 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 0.00 129 I 7.49 4.87 2.04 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 1.24 0.85 1.06 0.00 0.00 130 Q 8.78 4.82 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 131 Y 9.19 5.29 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 0.00 132 I 8.78 4.34 1.68 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.45 0.78 0.00 0.00 133 T 8.03 4.85 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 0.81 0.00 0.00 134 P 0.00 4.13 0.00 2.04 2.17 0.00 3.79 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.06 0.00 135 L 7.37 4.34 0.00 1.81 1.68 1.09 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 *137 G 7.94 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 0.00 0.00 0.00 138 F 8.29 4.74 0.00 2.96 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 0.00 139 G 8.62 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 0.00 140 Y 9.50 4.16 0.00 3.08 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 0.00 141 K 8.39 3.77 0.00 1.88 1.88 0.00 1.80 0.00 0.00 1.91 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.62 1.75 7.81 142 T 7.75 4.01 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 1.43 0.00 0.00 143 L 8.36 3.93 0.00 1.77 1.63 0.90 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 144 R 7.92 3.66 0.00 1.48 1.83 0.00 3.02 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.37 0.00 145 H 7.90 4.04 0.00 3.25 3.36 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 L 7.76 3.30 0.00 1.48 1.16 0.77 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 147 A 8.00 3.85 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 0.00 148 S 7.42 4.22 0.00 3.95 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 0.00 149 E 7.11 4.01 0.00 1.29 1.78 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 2.01 2.04 0.00 150 F 7.55 4.68 0.00 1.83 2.30 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 0.00 151 F 7.25 5.79 0.00 3.07 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 0.00 152 I 8.97 4.11 1.91 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 1.27 0.72 0.93 0.00 0.00 153 L 8.56 5.25 0.00 1.54 1.60 1.01 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 154 E 8.95 4.73 0.00 2.05 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 2.19 2.28 0.00 155 E 8.74 4.97 0.00 2.02 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 0.00 2.22 2.50 0.00 156 I 8.19 4.68 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.05 0.90 0.00 0.00 157 K 8.60 4.15 0.00 1.69 1.74 0.00 1.66 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.45 7.81 *161 K 8.34 3.96 0.00 1.86 1.90 0.00 1.56 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.27 1.40 7.81 162 L 7.97 3.98 0.00 1.45 1.61 0.80 0.84 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 0.00 163 S 8.01 4.59 0.00 3.72 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 S 8.18 4.21 0.00 4.00 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 0.00 165 D 8.21 3.86 0.00 2.14 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 0.00 166 Y 8.70 4.32 0.00 3.30 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 0.00 167 E 8.14 3.69 0.00 1.98 1.92 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 1.83 1.47 0.00 168 A 7.99 3.90 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 0.00 169 E 8.15 3.97 0.00 2.16 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 0.00 2.49 2.55 0.00 170 I 7.78 3.70 1.97 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 1.47 1.06 1.02 0.00 0.00 171 R 8.52 4.01 0.00 1.86 1.95 0.00 2.79 0.00 0.00 2.86 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.23 0.00 172 H 8.13 4.14 0.00 3.43 3.50 0.00 5.78 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 0.00 173 I 7.86 3.75 2.01 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.87 0.91 0.00 0.00 174 L 7.91 4.00 0.00 1.98 1.87 1.19 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 175 K 8.04 4.14 0.00 2.04 1.80 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.36 7.81 176 E 7.87 3.93 0.00 2.18 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 0.00 2.31 2.54 0.00 177 R 7.83 4.21 0.00 1.98 1.99 0.00 3.21 0.00 0.00 3.23 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.89 0.00 178 G 8.50 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 0.00 0.00 0.00 179 E 8.12 4.35 0.00 2.28 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 180 S 8.20 4.61 0.00 3.92 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 0.00 181 P 0.00 4.76 0.00 2.33 2.41 0.00 3.69 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.29 0.00 182 E 8.47 4.06 0.00 1.93 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 2.29 2.38 0.00 183 K 8.13 3.94 0.00 0.85 1.01 0.00 1.48 0.00 0.00 1.49 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.27 1.20 7.81 184 Y 7.96 4.69 0.00 2.47 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 0.00 185 F 8.11 5.00 0.00 3.04 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 P 0.00 4.81 0.00 2.22 2.12 0.00 3.74 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 2.02 2.16 0.00 187 E 8.32 4.36 0.00 1.99 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 0.00 2.31 2.37 0.00 188 H 8.48 4.42 0.00 3.14 3.26 0.00 5.67 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 0.00 189 K 8.14 3.85 0.00 1.77 1.75 0.00 1.87 0.00 0.00 1.79 0.00 0.00 2.85 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.43 7.81 190 Q 7.88 3.75 0.00 2.52 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.68 0.00 0.00 0.00 0.00 0.00 2.22 2.61 0.00 191 T 7.33 4.48 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 192 R 8.92 4.47 0.00 1.81 1.86 0.00 3.07 0.00 0.00 3.06 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.50 0.00 193 V 8.31 3.89 1.79 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 0.45 0.00 0.00 0.14 0.00 0.00 194 V 8.67 4.23 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 0.77 0.00 0.00 0.92 0.00 0.00 195 G 7.42 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 0.00 196 L 8.39 4.94 0.00 1.64 1.78 1.28 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 197 K 8.42 3.93 0.00 1.90 1.83 0.00 1.87 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.50 1.43 7.81 198 K 7.51 4.49 0.00 1.69 1.67 0.00 1.77 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.30 1.38 7.81 199 E 8.33 4.27 0.00 1.94 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 2.23 2.24 0.00 200 I 7.70 3.72 1.91 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.58 0.98 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.