NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8012 8.3549 109.7305 45.5205 0.0000 172.8681 *3 D 4.4697 7.9995 125.0458 54.3444 43.0222 177.4740 4 F 4.2434 7.2755 111.2049 57.7728 38.3490 175.0872 5 I 3.7739 5.9191 124.0247 60.1137 37.6703 175.3452 6 F 4.2421 8.7536 128.1892 58.2537 39.8219 174.9516 7 H 4.5250 7.2844 126.6254 55.4815 30.0106 172.5852 8 E 3.8809 9.3204 128.8750 55.6411 29.3071 177.1216 9 K 4.2398 8.0699 123.4809 55.7136 33.7798 175.9707 10 Q 4.5616 8.2195 123.4355 54.5229 30.3579 174.2630 11 E 4.4453 8.7548 127.2589 54.5105 31.6607 176.3315 12 G 3.4824 8.8024 114.6432 47.0732 0.0000 174.7728 13 F 5.0599 8.5823 115.5265 57.0743 40.2505 174.9990 14 L 4.7777 7.6876 116.9948 54.6134 42.1968 179.0278 15 C 4.2313 8.1512 116.3400 61.3409 29.8432 174.7479 16 A 3.8188 8.1920 122.7746 54.8944 18.0560 179.0046 17 Q 3.8578 8.0171 117.4470 59.8718 29.1237 178.2323 18 H 4.6399 8.0675 118.3768 58.4073 28.7060 177.1362 19 C 4.1365 8.6681 120.8639 62.7531 31.3207 175.8263 20 L 3.9113 8.0001 120.2658 57.9251 41.1581 179.3576 21 N 4.5157 8.8368 116.8596 56.4599 38.2688 177.3324 22 N 4.7171 8.6865 117.6491 56.0799 38.7030 177.0864 23 L 4.1092 7.9327 121.1019 58.1909 42.4302 178.6743 24 L 3.6614 7.7835 116.3381 54.7047 41.7991 176.6750 25 Q 3.4707 8.4183 117.0708 56.5525 26.1085 172.8939 26 G 3.1186 6.7408 103.9576 45.0524 0.0000 174.8333 27 E 4.4690 8.2348 118.8570 56.2250 27.5197 176.8994 28 Y 3.8975 7.9418 118.5461 59.7971 38.9379 176.7523 29 F 5.2588 9.4468 116.4359 54.3591 42.2155 175.2035 30 S 4.9191 8.3703 117.5416 55.5430 67.2446 173.2483 31 P 4.3370 0.0000 0.0000 65.8866 31.0040 179.3442 32 V 3.7475 7.7889 117.3333 64.7163 31.5954 177.7865 33 E 4.0552 7.7993 118.4373 59.4675 29.4456 179.7459 34 L 3.8508 8.1950 118.2739 57.2983 41.4887 179.3793 35 A 4.1268 8.1560 120.9463 55.4705 18.4322 179.7375 36 S 4.3420 8.7582 113.1166 60.8683 62.4846 176.9170 37 I 3.8523 7.7720 122.9037 64.1361 36.9241 178.0951 38 A 4.1362 8.0583 121.7042 55.4687 18.2489 179.4530 39 H 4.3288 8.4493 114.8625 58.9467 28.8164 177.6270 40 Q 4.2672 7.9022 118.3720 57.6273 28.5803 177.7013 41 L 4.3380 7.5420 118.7803 56.6826 42.0259 178.6131 42 D 4.4632 8.1939 119.3228 56.9884 40.4718 178.3801 43 E 3.9569 8.1292 119.1914 59.5146 29.8855 178.0667 44 E 4.0818 7.7859 116.6926 59.6651 29.5759 178.7205 45 E 4.2306 7.8710 118.1374 58.3363 29.8947 179.1033 46 R 4.1414 7.7511 117.8445 56.1778 30.3703 176.6013 *48 R 3.9343 7.9822 112.9533 55.7097 31.4415 176.3340 *50 A 3.3331 8.0706 117.9602 51.5640 20.3061 178.0800 51 E 4.1830 8.1738 117.2249 59.1212 30.3528 177.7723 52 G 3.8702 8.1004 106.1513 46.5552 0.0000 172.6841 53 G 4.4902 7.8799 121.0278 45.0127 0.0000 173.2582 54 V 2.7955 7.8446 120.9787 63.2643 31.7569 177.1497 55 T 4.7577 7.3157 113.8265 61.4487 66.5649 173.5078 56 S 4.4284 9.1588 115.1370 57.0862 62.8749 174.3880 57 E 4.1893 8.7382 124.8517 59.1403 29.7767 178.6769 58 E 3.9966 8.7734 120.5263 59.4730 29.8989 178.0405 59 Y 4.5347 7.6217 115.2100 58.1232 38.2008 176.2013 60 L 4.6147 8.0322 118.1986 54.2574 44.2243 178.4368 61 A 4.1616 7.6940 119.3908 54.4278 18.1380 179.5589 62 F 4.2755 7.9684 120.4089 61.0006 39.5354 177.0953 63 L 3.7068 7.8772 115.9574 56.6499 41.5208 177.8796 64 Q 4.3397 7.2435 117.9200 55.0675 29.9893 174.9046 65 Q 4.3437 7.6376 119.1999 54.7265 30.2291 173.5494 66 P 4.4321 0.0000 0.0000 61.7846 32.1452 176.6019 67 S 4.0660 8.4467 115.8745 59.1556 62.8849 174.7045 68 E 4.7781 8.5257 127.6276 55.8164 29.8288 176.4281 69 N 4.8786 7.9623 111.3011 53.8291 42.2671 174.2078 *71 D 4.6011 7.7868 118.1215 53.8421 42.0165 175.6266 72 D 4.4535 8.3795 120.9591 56.1951 40.7726 177.5353 73 T 3.9763 7.6622 109.0783 61.6534 69.3158 176.1414 74 G 3.9190 8.1670 110.6422 45.8651 0.0000 173.8879 75 F 4.3761 7.6232 118.1814 57.1201 39.4947 174.8739 76 F 5.1780 8.7192 122.4541 55.8221 41.4772 175.5615 77 S 4.8386 8.5085 118.5191 57.3041 63.4927 174.9718 78 I 3.6382 8.4738 122.3029 63.8196 37.6298 177.8015 79 Q 4.0077 8.0865 118.6526 58.5939 28.4624 178.4972 80 V 3.4851 7.6893 119.6926 65.6657 31.4925 177.9743 81 I 3.1602 7.2281 119.0657 64.3636 36.8028 178.3375 82 S 3.9166 7.4670 115.2513 61.5679 62.4299 176.4237 83 N 4.2144 7.6828 117.5314 56.3784 38.4301 177.0593 84 A 3.1195 7.6789 122.0302 54.7290 18.4287 179.6918 85 L 4.0302 7.9911 117.5970 57.5376 41.5448 179.8255 86 K 4.1201 7.7480 118.4655 59.0836 31.7194 178.9201 87 F 4.1617 7.8009 117.7132 59.6715 38.7274 176.2547 88 W 4.7985 7.9560 115.2808 55.9432 29.3483 175.7446 89 G 4.0019 8.1802 105.4618 47.1349 0.0000 174.1136 90 L 5.1438 7.8961 117.0177 52.6013 45.4026 176.6650 91 E 4.7821 9.2426 120.6140 54.4880 33.7590 174.7852 92 I 4.7870 8.2405 121.6120 59.4011 40.5688 174.6492 93 I 4.5685 8.4278 130.7439 59.5394 40.0427 174.7733 94 H 4.2670 9.3410 123.7045 56.3833 28.9445 176.3333 95 F 4.2811 9.0497 126.0954 61.1426 39.3674 175.7312 96 N 4.3962 8.2095 115.3941 53.2891 37.9745 174.3198 97 N 4.0801 8.0036 118.2940 53.4769 39.1983 173.4527 98 P 4.3308 0.0000 0.0000 65.6905 31.8908 177.7860 99 E 4.1064 8.3815 117.5055 59.7427 29.9442 178.5649 100 Y 4.0680 8.2900 119.3280 60.8949 38.8718 177.5716 101 Q 3.8256 8.3921 115.1235 56.8823 28.5682 176.6916 102 K 4.2165 7.7594 120.3577 57.4594 32.4982 178.1430 103 L 3.8096 7.1560 119.4425 55.4401 41.5659 178.0456 104 G 3.7410 7.3458 105.8699 46.1924 0.0000 173.7410 105 I 3.8030 6.7610 117.7694 60.3760 37.5487 175.7818 106 D 4.4992 8.7279 125.5617 53.5383 41.9676 174.9067 107 P 4.6852 0.0000 0.0000 65.9324 31.6263 178.4626 108 I 3.9473 8.1985 118.2013 64.2390 37.0537 176.4623 109 N 4.9220 8.4816 115.5554 53.2202 38.8848 175.9695 110 E 4.5384 8.1023 118.7522 56.2561 31.2841 175.8644 111 R 4.4656 8.1321 114.2995 56.3907 33.5039 175.1819 112 S 5.2369 7.4099 110.6400 57.6977 65.9107 174.7403 113 F 5.2195 9.4826 120.0164 56.0025 43.5738 173.5248 114 I 4.9535 8.9256 123.1421 59.8996 39.8285 174.5806 115 C 5.1945 8.8883 123.1493 57.8556 32.5691 172.6686 116 N 5.5738 8.9226 118.7045 51.0118 41.4438 172.6421 117 Y 4.2441 8.3786 127.3140 55.3824 41.0810 175.3803 118 K 3.5172 7.5487 128.1520 58.5016 29.5022 176.1532 119 Q 3.2645 7.8632 114.5013 56.4384 26.9122 175.4191 120 H 4.5731 8.0269 116.8282 54.9273 33.5858 173.4054 121 W 5.1682 8.6219 126.8390 56.9017 29.9328 175.5865 122 F 5.1329 9.0686 117.5428 56.5284 41.4979 172.7711 123 T 5.2210 8.9123 115.1747 61.8909 72.1213 173.2268 124 I 5.3367 9.1662 125.4096 59.7632 40.9886 174.6066 125 R 5.0120 9.3995 125.6874 54.6574 33.8680 173.5546 126 K 3.8943 7.6736 127.1120 55.2088 33.3819 175.9809 127 F 4.8699 9.2994 125.9311 56.4576 42.3485 175.8698 128 G 3.8138 8.4479 115.9640 47.1144 0.0000 173.9198 129 K 4.3555 8.9475 122.7488 55.9605 32.3777 175.1442 130 H 5.0567 8.2529 117.0029 53.7439 32.5395 172.4890 131 W 5.1919 8.7826 122.0587 55.5660 31.1633 175.1994 132 F 5.3502 9.8915 122.7833 55.6661 42.8898 173.6824 133 N 5.0394 9.4767 122.6941 52.8535 39.8121 175.1648 134 L 5.2222 8.6295 128.9448 54.0895 42.5906 176.7016 135 N 4.5930 8.6775 118.3794 54.3986 39.7120 175.6309 136 S 4.4812 9.2212 119.7337 59.9931 63.5636 175.0681 137 L 4.3810 8.0838 120.4438 55.1104 41.6955 176.6535 138 L 4.4555 7.7277 119.7191 53.2978 42.8412 177.6456 139 A 3.8595 8.6480 123.1876 53.4887 18.5406 177.5672 140 G 3.9715 6.7355 103.5971 44.5509 0.0000 170.7346 141 P 4.6021 0.0000 0.0000 62.6579 32.2242 176.3421 142 E 4.7481 8.8418 121.5330 54.0962 32.5899 175.2604 143 L 3.4483 8.8689 126.9087 55.5913 42.7383 176.0532 144 I 4.5788 8.6548 127.5179 59.0966 38.8883 176.0421 145 S 4.3316 8.8022 121.9175 58.3893 63.7300 174.9371 146 D 4.5450 8.8861 121.7482 57.8946 39.2053 178.8490 147 T 3.8806 8.0345 109.7682 65.4946 68.4354 175.6479 148 C 4.3373 8.0982 118.6624 61.4858 28.1397 175.7805 149 L 3.8656 7.6731 121.9985 57.9005 41.5982 178.7619 150 A 3.8270 7.3167 120.3383 55.1886 18.3787 179.2023 151 N 4.2254 8.1039 114.4143 56.5042 38.8104 176.7523 152 F 4.2907 8.1595 121.8373 61.8767 39.2983 177.1816 153 L 3.4720 7.8372 117.8894 57.6972 41.0754 179.5660 154 A 4.0845 7.8445 119.7621 55.1088 18.5520 179.1030 155 R 3.9440 8.6132 118.0678 59.4525 29.8955 178.3928 156 L 4.1736 8.1968 118.5350 58.3225 41.5068 179.9445 157 Q 4.0791 7.6676 116.8408 58.8473 28.7712 177.8425 158 Q 4.1377 7.9014 118.2932 57.9489 28.9061 177.5186 159 Q 4.4211 7.1723 117.4418 54.1018 30.2901 176.5199 160 A 3.8860 8.1463 122.7946 55.1886 18.5019 177.9842 161 Y 4.3536 6.3095 112.3938 59.2341 38.6976 176.7173 162 S 4.6276 8.3739 118.3314 57.0286 65.6966 173.2551 163 V 4.3965 7.7083 121.9625 60.9401 34.3701 173.9664 164 F 5.4881 9.2419 126.6985 55.5915 42.2402 174.7981 165 V 4.1834 8.5609 123.1053 61.0743 33.2228 175.2061 166 V 4.5349 7.8131 123.7444 61.4547 32.6299 174.7786 167 K 4.4941 9.8110 128.3806 54.3935 34.1273 175.5947 168 G 4.4869 8.7043 109.3141 42.9286 0.0000 172.7396 169 D 4.5078 8.2364 121.4228 53.5917 41.3244 176.9782 170 L 4.2155 8.2186 124.2028 53.4580 42.5321 175.2273 171 P 4.4233 0.0000 0.0000 62.4742 31.9159 176.3542 172 D 4.7482 8.3353 120.5515 54.5997 41.5187 175.4574 173 C 4.8560 8.5974 115.4136 55.5253 33.4702 174.8637 174 E 3.9308 9.0692 119.1324 59.8973 28.8835 179.7812 175 A 4.0303 7.9221 119.3913 54.6931 18.0916 178.8353 176 D 4.4857 7.6886 117.1400 57.3214 41.1445 178.0239 177 Q 4.4671 7.7924 116.8300 54.2492 28.6837 174.7807 178 L 3.7599 7.5030 123.2605 56.4687 42.1921 176.5961 179 L 3.6864 8.6476 126.3018 55.2975 39.6942 176.6523 180 Q 3.9603 7.9911 120.6138 59.5921 28.9025 177.2805 181 I 3.6650 7.7054 118.9146 64.1811 37.8139 177.7741 182 I 3.7496 7.3303 119.8678 64.2569 37.0700 178.4218 183 S 4.2615 7.8731 115.6270 61.7005 62.6515 176.6452 184 V 3.5595 7.7113 119.5538 65.9068 31.2910 177.1876 185 E 4.1313 8.2265 117.5229 57.9976 29.5992 176.7421 186 E 4.2764 8.1272 123.0859 56.9504 29.6698 176.3166 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 G 8.35 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *3 D 8.00 4.47 0.00 2.72 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 F 7.28 4.24 0.00 3.04 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 5 I 5.92 3.77 1.36 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.16 -0.36 0.71 0.00 0.00 6 F 8.75 4.24 0.00 3.01 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 7 H 7.28 4.52 0.00 3.00 3.02 0.00 5.80 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 8 E 9.32 3.88 0.00 2.24 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 2.22 0.00 9 K 8.07 4.24 0.00 1.51 1.63 0.00 1.67 0.00 0.00 1.77 0.00 0.00 2.78 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.26 1.22 7.81 10 Q 8.22 4.56 0.00 2.21 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.58 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 11 E 8.75 4.45 0.00 1.97 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 2.15 2.24 0.00 12 G 8.80 3.48 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 0.00 0.00 0.00 13 F 8.58 5.06 0.00 3.16 2.88 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 14 L 7.69 4.78 0.00 1.61 1.65 1.02 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 15 C 8.15 4.23 0.00 3.36 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.19 3.82 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Q 8.02 3.86 0.00 2.11 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.85 0.00 0.00 0.00 0.00 0.00 2.56 2.65 0.00 18 H 8.07 4.64 0.00 3.46 3.40 0.00 5.71 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 C 8.67 4.14 0.00 3.20 3.19 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 20 L 8.00 3.91 0.00 1.69 1.67 0.06 0.24 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 21 N 8.84 4.52 0.00 3.02 3.28 0.00 0.00 7.08 6.95 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 22 N 8.69 4.72 0.00 2.94 3.09 0.00 0.00 7.00 7.57 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 23 L 7.93 4.11 0.00 1.62 1.88 0.85 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 24 L 7.78 3.66 0.00 0.90 0.13 0.68 0.61 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 25 Q 8.42 3.47 0.00 2.18 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.66 0.00 26 G 6.74 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 0.00 0.00 0.00 27 E 8.23 4.47 0.00 1.95 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 2.57 2.56 0.00 28 Y 7.94 3.90 0.00 2.93 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 F 9.45 5.26 0.00 2.97 2.91 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 30 S 8.37 4.92 0.00 4.06 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 31 P 0.00 4.34 0.00 2.27 2.30 0.00 3.67 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.27 0.00 32 V 7.79 3.75 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 0.98 0.00 0.00 1.00 0.00 0.00 33 E 7.80 4.06 0.00 2.48 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 0.00 2.48 2.51 0.00 34 L 8.19 3.85 0.00 1.35 0.57 0.43 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.16 4.13 1.51 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 36 S 8.76 4.34 0.00 3.92 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 37 I 7.77 3.85 1.77 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.35 0.80 0.00 0.00 38 A 8.06 4.14 1.58 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 0.00 0.00 39 H 8.45 4.33 0.00 3.25 3.39 0.00 5.61 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 7.90 4.27 0.00 2.38 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.71 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 41 L 7.54 4.34 0.00 1.97 1.75 1.15 1.07 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 42 D 8.19 4.46 0.00 3.03 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 43 E 8.13 3.96 0.00 2.14 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 2.37 2.44 0.00 44 E 7.79 4.08 0.00 2.03 2.06 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 1.54 1.62 0.82 0.63 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 64 Q 7.24 4.34 0.00 2.02 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.82 0.00 0.00 0.00 0.00 0.00 2.23 2.31 0.00 65 Q 7.64 4.34 0.00 1.85 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.75 0.00 0.00 0.00 0.00 0.00 2.26 2.42 0.00 66 P 0.00 4.43 0.00 1.96 1.89 0.00 3.60 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 1.95 1.98 0.00 67 S 8.45 4.07 0.00 3.87 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 68 E 8.53 4.78 0.00 2.02 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 69 N 7.96 4.88 0.00 2.92 2.83 0.00 0.00 6.68 7.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *71 D 7.79 4.60 0.00 2.70 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 72 D 8.38 4.45 0.00 2.63 2.66 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 1.05 0.00 0.00 81 I 7.23 3.16 1.40 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 -0.36 0.40 0.00 0.00 82 S 7.47 3.92 0.00 3.87 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 83 N 7.68 4.21 0.00 2.81 2.75 0.00 0.00 7.07 7.48 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 84 A 7.68 3.12 0.35 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 85 L 7.99 4.03 0.00 1.70 1.69 0.74 0.45 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 86 K 7.75 4.12 0.00 2.02 1.93 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.61 7.81 87 F 7.80 4.16 0.00 2.58 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 W 7.96 4.80 0.00 3.33 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 89 G 8.18 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0.00 0.00 1.12 0.33 1.01 0.00 0.00 106 D 8.73 4.50 0.00 2.72 2.82 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 0.00 0.00 0.00 0.00 107 P 0.00 4.69 0.00 2.20 2.12 0.00 3.75 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.50 0.00 108 I 8.20 3.95 2.06 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.80 1.20 0.00 0.00 109 N 8.48 4.92 0.00 2.93 2.93 0.00 0.00 7.06 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 E 8.10 4.54 0.00 2.33 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 2.64 2.62 0.00 111 R 8.13 4.47 0.00 1.56 1.69 0.00 3.17 0.00 0.00 3.14 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.47 0.00 112 S 7.41 5.24 0.00 3.78 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 0.00 113 F 9.48 5.22 0.00 2.79 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 T 8.91 5.22 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 1.29 0.00 0.00 124 I 9.17 5.34 2.03 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 1.36 0.91 1.21 0.00 0.00 125 R 9.40 5.01 0.00 1.78 1.38 0.00 2.96 0.00 0.00 2.29 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 1.33 0.00 126 K 7.67 3.89 0.00 0.79 0.91 0.00 1.02 0.00 0.00 1.32 0.00 0.00 2.78 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.10 0.21 7.81 127 F 9.30 4.87 0.00 3.22 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 0.00 128 G 8.45 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 K 8.95 4.36 0.00 1.54 1.74 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.37 7.81 130 H 8.25 5.06 0.00 3.36 3.15 0.00 5.60 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 W 8.78 5.19 0.00 3.50 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 0.00 132 F 9.89 5.35 0.00 3.16 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 0.00 133 N 9.48 5.04 0.00 3.00 2.86 0.00 0.00 6.87 7.41 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 0.00 134 L 8.63 5.22 0.00 1.78 1.87 1.18 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 135 N 8.68 4.59 0.00 2.80 2.67 0.00 0.00 7.02 7.07 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 0.00 136 S 9.22 4.48 0.00 4.11 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 L 8.08 4.38 0.00 1.69 1.69 0.68 0.98 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 0.00 138 L 7.73 4.46 0.00 1.89 1.68 0.96 0.83 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 0.00 139 A 8.65 3.86 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 0.00 140 G 6.74 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 P 0.00 4.60 0.00 1.91 2.02 0.00 3.51 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.92 0.00 142 E 8.84 4.75 0.00 1.95 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 2.23 2.38 0.00 143 L 8.87 3.45 0.00 1.38 1.48 0.49 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 144 I 8.65 4.58 1.97 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.04 0.96 0.00 0.00 145 S 8.80 4.33 0.00 3.99 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 0.00 146 D 8.89 4.55 0.00 2.85 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 T 8.03 3.88 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 1.22 0.00 0.00 148 C 8.10 4.34 0.00 3.01 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 0.00 149 L 7.67 3.87 0.00 1.48 1.57 0.41 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 150 A 7.32 3.83 1.33 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 0.00 151 N 8.10 4.23 0.00 2.78 2.89 0.00 0.00 6.65 8.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 F 8.16 4.29 0.00 3.07 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 L 7.84 3.47 0.00 1.44 0.98 -0.55 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 154 A 7.84 4.08 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 155 R 8.61 3.94 0.00 1.89 2.27 0.00 3.12 0.00 0.00 3.18 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.75 0.00 156 L 8.20 4.17 0.00 1.67 1.79 0.58 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 157 Q 7.67 4.08 0.00 2.27 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.90 0.00 0.00 0.00 0.00 0.00 2.53 2.71 0.00 158 Q 7.90 4.14 0.00 2.27 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.63 0.00 159 Q 7.17 4.42 0.00 2.46 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.73 0.00 0.00 0.00 0.00 0.00 2.67 2.40 0.00 160 A 8.15 3.89 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 0.00 161 Y 6.31 4.35 0.00 3.18 3.26 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 0.00 162 S 8.37 4.63 0.00 3.72 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 V 7.71 4.40 1.82 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 0.36 0.00 0.00 0.66 0.00 0.00 164 F 9.24 5.49 0.00 3.07 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 0.00 165 V 8.56 4.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.00 0.00 0.73 0.00 0.00 166 V 7.81 4.53 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 0.76 0.00 0.00 0.89 0.00 0.00 167 K 9.81 4.49 0.00 1.71 1.70 0.00 1.78 0.00 0.00 1.67 0.00 0.00 3.12 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.32 1.53 7.81 168 G 8.70 4.49 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 0.00 0.00 0.00 169 D 8.24 4.51 0.00 2.71 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 0.00 170 L 8.22 4.22 0.00 1.56 1.48 0.79 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 171 P 0.00 4.42 0.00 1.86 1.88 0.00 3.40 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.85 0.00 172 D 8.34 4.75 0.00 2.67 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 0.00 173 C 8.60 4.86 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 0.00 174 E 9.07 3.93 0.00 2.05 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 2.39 2.40 0.00 175 A 7.92 4.03 0.48 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 0.00 0.00 176 D 7.69 4.49 0.00 2.86 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 0.00 177 Q 7.79 4.47 0.00 2.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.90 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 178 L 7.50 3.76 0.00 1.70 1.77 1.01 1.65 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 0.00 179 L 8.65 3.69 0.00 1.95 1.74 0.97 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 180 Q 7.99 3.96 0.00 2.22 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 181 I 7.71 3.67 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 1.64 1.18 0.90 0.00 0.00 182 I 7.33 3.75 2.02 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 1.54 0.95 0.94 0.00 0.00 183 S 7.87 4.26 0.00 4.03 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 0.00 184 V 7.71 3.56 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 0.79 0.00 0.00 0.98 0.00 0.00 185 E 8.23 4.13 0.00 2.07 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 0.00 2.33 2.39 0.00 186 E 8.13 4.28 0.00 2.10 1.86 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 2.65 2.48 0.00 * Residues marked with a * may have inaccurate shift predictions.