NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 E 4.4368 8.3027 118.6666 55.8440 32.8691 174.3103 7 V 4.6362 7.7091 118.2699 61.1331 34.4290 169.4399 8 V 4.6713 9.0683 128.3977 61.3111 35.8178 172.8699 9 A 5.2140 8.9076 129.2611 50.6545 21.2121 175.4154 10 M 5.2602 9.0267 121.1461 53.9839 35.9058 174.1171 11 D 4.8474 8.8839 122.8902 53.1102 45.2413 173.6716 12 C 5.3947 8.5478 120.5403 58.0311 32.1321 173.1064 13 E 4.8645 8.9768 120.2123 55.0181 32.2754 175.1540 14 M 5.3576 8.5836 120.8677 53.7862 36.3718 174.5557 15 V 4.4594 8.5337 113.2145 59.3985 36.1795 174.7467 16 G 4.1933 9.1979 109.8333 45.4770 0.0000 173.1408 17 L 5.1453 9.0778 124.4448 53.5989 45.5908 178.0506 18 G 3.9910 8.9204 112.6410 43.8027 0.0000 172.7845 19 P 4.2213 0.0000 0.0000 65.2870 31.0905 176.8438 20 H 4.7654 7.9823 114.1010 54.6128 29.3591 174.7095 21 R 3.7174 7.8571 119.5461 57.8213 28.1192 177.1831 22 E 4.2825 8.4038 116.1866 56.0934 31.5384 179.7223 23 S 4.5258 8.8049 119.8043 58.7261 63.6768 174.1805 24 G 4.1099 9.1144 111.0616 43.7725 0.0000 171.5955 25 L 4.5446 8.7324 125.9085 55.6579 42.1941 176.2994 26 A 5.4161 9.1068 125.4630 50.4754 21.5397 175.1965 27 R 4.9004 7.6646 113.8447 55.4371 33.9466 173.1604 28 C 5.2099 8.8601 125.2258 57.9306 35.4919 172.6404 29 S 5.3281 9.2324 121.5639 56.7315 66.3840 172.9364 30 L 5.3732 9.2453 123.8203 53.1005 45.0936 176.0576 31 V 5.0722 8.7040 115.6773 59.6198 36.3668 175.6795 32 N 5.1487 8.7323 120.9066 51.4645 39.2576 176.0739 33 V 3.5447 8.2625 116.6637 64.8354 31.1730 176.4151 34 H 4.6565 8.4726 115.5793 55.5068 28.8972 175.8732 35 G 3.9291 8.4240 108.5436 44.8311 0.0000 173.9362 36 A 4.0543 7.9237 123.3357 51.7975 19.0072 177.0934 37 V 4.1889 8.2991 122.6427 62.7913 32.0194 175.5729 38 L 4.5587 8.9341 127.6844 56.3775 43.0767 176.4501 39 Y 4.6738 7.5632 117.8352 56.6668 42.3726 173.3795 40 D 5.0918 7.6442 122.4130 54.7821 43.3185 174.4674 41 K 4.5803 7.9098 124.6573 54.7480 37.0196 175.5123 42 F 4.8109 8.7494 121.3302 57.0084 40.9274 174.7306 43 I 4.9210 9.2737 123.5295 59.4411 41.3244 174.7890 44 R 4.4339 9.1431 127.8067 54.9033 30.5844 174.1993 45 P 4.6507 0.0000 0.0000 62.8825 32.5171 176.5189 46 E 4.1410 8.7893 122.1371 55.5541 28.1250 175.7531 47 G 4.0361 7.6104 112.4831 43.7924 0.0000 168.8027 48 E 4.2669 7.9546 120.8966 55.3378 30.9602 175.4931 49 I 4.3290 8.3249 128.4810 61.3913 37.2647 175.6808 50 T 4.4332 8.6094 117.5190 61.5369 70.1759 174.3616 51 D 4.4185 7.4083 122.0698 54.1463 43.0809 175.3825 52 Y 3.6081 9.1393 124.8139 59.0002 38.4725 176.3253 53 R 3.8782 8.5892 118.1021 56.6655 28.8556 178.3663 54 T 4.0599 8.3450 115.7208 67.3225 68.4866 175.5117 55 R 3.9027 8.1567 119.5447 58.5322 29.9605 177.7365 56 V 3.8765 7.5901 116.6362 64.4521 32.7166 177.5109 57 S 4.3538 8.6025 112.6979 59.0454 63.1753 175.4465 58 G 4.3309 8.0330 109.2820 44.6551 0.0000 173.2910 59 V 4.1838 7.7219 120.0846 61.9168 32.6219 175.3004 60 T 4.5651 8.1655 116.1252 58.7668 71.6821 173.0921 61 P 4.0793 0.0000 0.0000 66.3355 31.7779 179.6746 62 Q 3.9677 7.5136 116.4226 58.1766 28.1574 181.1054 63 H 3.9947 7.4978 114.6569 58.8116 28.9227 176.7371 64 M 4.2114 7.8173 117.9747 56.9801 32.1464 176.1979 65 V 3.8285 7.4519 119.7335 63.6817 31.5371 175.8854 66 G 3.8684 9.0058 114.7987 45.7239 0.0000 172.8072 67 A 4.3810 7.5570 120.3529 51.4748 19.4812 178.3526 68 T 4.0564 8.0911 116.5612 62.9161 69.6603 172.7146 69 P 4.5907 0.0000 0.0000 62.6956 32.3961 176.8088 70 F 4.0723 9.0741 125.6357 61.9093 39.0143 177.8478 71 A 3.8552 8.1659 119.3771 54.8833 18.1409 179.7349 72 V 3.5099 7.6562 116.1191 66.1410 31.7641 177.9772 73 A 4.3008 8.0660 122.0539 54.5484 18.1293 179.4319 74 R 3.5206 7.9378 117.5725 59.5303 30.0325 178.7621 75 L 3.9093 7.4504 118.4186 57.7555 41.6813 179.3545 76 E 3.9050 8.0357 118.4576 59.4253 29.4034 179.5797 77 I 3.3254 7.6524 119.8970 64.2454 37.1434 178.5157 78 L 4.0331 7.9238 119.9319 57.8081 41.1645 179.4066 79 Q 3.9561 7.8153 118.8033 59.1680 29.0751 178.0464 80 L 4.1201 7.4230 118.6444 57.0801 42.0203 178.6865 81 L 4.3774 7.8195 118.5874 54.8927 41.7194 176.6839 82 K 3.7587 7.4369 120.1781 58.0977 32.2240 176.4290 83 G 3.8697 8.8642 113.1501 45.8105 0.0000 172.3358 84 K 4.7661 7.6708 117.4802 53.7589 36.1382 175.5579 85 L 4.3853 9.0072 124.2993 54.8032 43.0842 175.6864 86 V 4.6165 8.9177 128.2474 61.9077 32.9074 174.6510 87 V 4.8024 8.8125 129.1569 61.6743 33.5693 175.2341 88 G 4.0951 7.9621 112.7387 46.6061 0.0000 170.7108 89 H 5.0570 8.7738 119.4703 54.2479 31.7606 173.6134 90 D 4.3498 8.8327 126.5433 55.1062 39.4287 174.6005 91 L 4.4515 8.5083 121.9251 56.8436 41.9528 179.0479 92 K 3.7889 8.1454 119.6548 60.2649 31.9444 178.2102 93 H 4.3746 7.8681 115.7990 58.6767 28.3931 177.7039 94 D 4.3240 7.9840 120.6043 57.4491 40.7205 178.6086 95 F 3.9108 8.5778 118.2983 60.2962 38.8151 177.8699 96 Q 4.0352 8.1825 117.8881 58.9051 28.2908 178.5257 97 A 4.0769 7.7894 120.8914 54.9381 18.5422 179.0421 98 L 4.2126 8.0420 115.3249 54.6278 42.5331 176.8760 99 K 3.9788 7.9700 117.8894 57.6278 30.2132 174.8376 100 E 4.7209 8.4606 117.3840 53.9501 32.5870 174.4550 101 D 4.5127 8.7960 125.7828 54.5812 42.0296 176.0558 102 M 3.6955 8.8351 126.0382 57.7583 32.1772 178.6154 103 S 3.8516 8.3801 112.9510 61.6805 63.3770 176.0331 104 G 3.6386 7.9450 110.4996 46.1016 0.0000 172.7799 105 Y 4.3465 8.1148 118.3747 57.2331 39.2694 174.8652 106 T 4.6988 8.3955 119.7554 62.1661 70.3236 173.8085 107 I 5.1917 8.3807 118.9617 59.1743 41.6994 174.1479 108 Y 4.6532 9.1422 123.3328 56.0027 41.8636 173.2973 109 D 5.1797 7.9733 126.9940 52.3671 42.6810 176.9609 110 T 3.8367 8.7616 117.6465 64.3167 69.0330 176.5431 111 S 4.2308 8.3447 116.5845 60.1321 63.2084 174.8561 112 T 4.3209 7.4823 109.5824 60.9328 69.0532 174.3137 113 D 4.5297 7.6626 121.9602 53.5902 40.9559 176.2895 114 R 3.9826 8.5456 128.1370 59.2577 29.9293 177.7901 115 L 4.0460 8.3520 120.2230 58.1881 42.1313 178.9742 116 L 4.0533 8.1899 118.5147 57.3475 41.5845 178.9854 117 W 4.1712 8.2687 128.2666 60.5750 30.7358 177.9776 118 R 3.7419 8.6597 118.7952 59.5914 29.3780 178.3989 119 E 3.9990 8.3130 116.8944 58.8751 29.5219 178.3746 120 A 4.1357 7.9822 118.6025 51.3405 19.9390 176.8748 121 K 3.5218 7.2268 115.9756 57.1688 30.8859 174.7468 122 L 4.1995 6.2661 127.3831 54.4978 40.7025 179.9305 *128 V 3.8845 8.2561 129.0449 63.7111 31.8069 175.3667 129 S 4.6764 8.2815 122.8153 57.3359 65.6923 174.7334 130 L 3.8422 8.1312 125.1037 58.1787 41.8446 179.3351 131 R 3.8380 7.8541 118.3839 59.3079 29.9910 178.5765 132 V 3.5663 7.8397 118.0392 65.9569 31.5067 177.9879 133 L 4.0040 7.8729 118.6820 57.9679 41.4605 179.7344 134 S 4.1450 8.3975 115.3878 61.4442 62.7494 176.4015 135 E 3.8922 8.3305 121.9976 59.5467 29.2511 179.1528 136 R 3.9370 8.1045 116.8470 58.4697 30.2512 178.0899 137 L 4.4897 8.2355 117.5606 55.4117 42.7131 177.3697 138 L 4.4779 7.9174 115.7704 54.0302 42.9505 175.6846 139 H 4.7199 8.2663 113.7254 55.8909 26.1557 174.4951 140 K 4.4642 8.1818 119.0362 54.4795 34.3619 174.8134 141 S 4.5038 8.7123 121.4823 57.1067 63.0444 172.8327 142 I 4.7869 7.7954 119.8488 59.3875 40.6669 174.2758 143 Q 3.4115 8.4141 116.2070 57.8243 26.1654 174.3521 144 N 4.9039 7.9330 111.8387 52.9004 40.9844 175.7061 145 S 4.3073 7.8023 114.0432 57.9658 63.0498 174.6841 146 L 4.2183 8.4015 125.9875 56.8831 41.9457 177.9850 147 L 4.1088 8.0736 118.4890 54.9309 41.9295 176.1625 148 G 4.5384 7.7108 104.1448 42.2013 0.0000 173.1628 149 H 4.4035 8.9005 116.3751 55.6611 29.2382 175.9381 150 S 4.7075 8.3884 116.5349 56.5675 64.2474 175.3208 151 S 4.6994 8.5143 126.0616 60.5040 62.9152 176.6201 152 V 3.5536 7.6274 122.1820 65.9087 31.3856 177.3730 153 E 3.9475 8.0566 118.7096 59.3816 29.6214 178.5006 154 D 4.3289 8.4176 118.9812 57.2572 40.8906 178.6607 155 A 4.0323 8.2001 121.3367 55.2720 18.3492 179.9111 156 R 3.9150 8.2225 116.4219 59.2642 30.0377 179.1182 157 A 4.0556 8.2638 120.9874 55.4379 18.3780 179.8418 158 T 3.9693 7.9484 108.0036 65.0940 68.9146 176.6442 159 M 4.1397 8.2939 121.1317 58.4684 32.2508 178.1024 160 E 4.0570 8.7107 119.2927 59.4218 29.5745 179.3169 161 L 4.0884 8.3329 119.2504 57.8434 41.6563 178.9555 162 Y 3.8588 8.2861 119.6867 60.7608 38.7171 178.1010 163 Q 3.7081 8.2586 118.9883 58.7664 28.6776 178.8114 164 I 3.6702 7.9035 120.9904 64.2568 37.1587 178.3373 165 S 4.0702 8.1810 114.0873 61.6353 62.2803 176.2346 166 Q 3.8385 7.7259 120.5798 59.0158 28.2520 179.1747 167 R 3.9297 7.9275 119.0916 59.0737 30.1061 179.1429 168 I 3.6968 8.0005 119.9720 64.3312 37.0093 178.6410 169 R 3.9015 8.1152 118.6912 59.2199 30.0391 178.9438 170 A 4.1449 8.1860 122.9382 55.9524 18.1996 180.5438 171 R 4.0734 8.2045 117.7850 60.4900 29.4506 179.9829 172 R 4.7485 7.4362 114.1399 56.0813 30.4425 177.1442 173 G 3.9193 7.8354 106.0457 45.6285 0.0000 173.8447 174 L 4.5163 7.8671 119.9363 52.1982 42.8887 175.1014 175 P 4.3968 0.0000 0.0000 62.6723 31.8412 176.5233 176 R 4.1305 8.1876 118.8860 55.6862 30.7537 176.6246 177 L 4.0823 8.7963 121.2023 54.4920 42.1621 177.5687 178 A 4.1967 8.7020 124.9299 52.6685 18.2477 177.1000 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 6 E 8.30 4.44 0.00 1.68 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 2.21 1.89 0.00 7 V 7.71 4.64 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 0.54 0.00 0.00 0.88 0.00 0.00 8 V 9.07 4.67 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.92 0.00 0.00 9 A 8.91 5.21 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 10 M 9.03 5.26 0.00 1.88 1.81 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.35 0.00 11 D 8.88 4.85 0.00 2.82 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 12 C 8.55 5.39 0.00 2.95 2.87 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 13 E 8.98 4.86 0.00 1.84 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 2.19 2.53 0.00 14 M 8.58 5.36 0.00 1.94 1.91 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.59 0.00 15 V 8.53 4.46 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 0.75 0.00 0.00 0.80 0.00 0.00 16 G 9.20 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 L 9.08 5.15 0.00 1.53 1.46 0.78 0.89 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 18 G 8.92 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.22 0.00 1.96 2.10 0.00 3.66 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.87 0.00 20 H 7.98 4.77 0.00 3.14 3.29 0.00 5.85 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 R 7.86 3.72 0.00 1.89 1.91 0.00 3.16 0.00 0.00 3.26 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 22 E 8.40 4.28 0.00 1.63 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 0.00 2.24 2.16 0.00 23 S 8.80 4.53 0.00 3.73 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 24 G 9.11 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 25 L 8.73 4.54 0.00 1.94 1.88 0.99 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 26 A 9.11 5.42 1.34 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 0.00 0.00 27 R 7.66 4.90 0.00 1.63 1.61 0.00 2.31 0.00 0.00 3.01 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.14 0.00 28 C 8.86 5.21 0.00 3.02 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 29 S 9.23 5.33 0.00 3.87 3.68 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 30 L 9.25 5.37 0.00 1.58 1.51 0.72 0.53 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 31 V 8.70 5.07 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 0.76 0.00 0.00 0.94 0.00 0.00 32 N 8.73 5.15 0.00 2.93 2.99 0.00 0.00 6.96 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 V 8.26 3.54 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 0.47 0.00 0.00 0.96 0.00 0.00 34 H 8.47 4.66 0.00 3.29 3.36 0.00 5.65 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.42 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 0.00 0.00 0.00 36 A 7.92 4.05 1.34 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 0.00 0.00 37 V 8.30 4.19 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 0.90 0.00 0.00 0.93 0.00 0.00 38 L 8.93 4.56 0.00 1.66 1.75 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 39 Y 7.56 4.67 0.00 3.00 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 0.00 40 D 7.64 5.09 0.00 2.58 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 0.00 0.00 0.00 0.00 41 K 7.91 4.58 0.00 1.47 1.53 0.00 1.53 0.00 0.00 1.75 0.00 0.00 2.77 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.18 0.72 7.81 42 F 8.75 4.81 0.00 3.08 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 43 I 9.27 4.92 2.00 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 1.21 1.34 1.13 0.00 0.00 44 R 9.14 4.43 0.00 1.99 1.91 0.00 3.19 0.00 0.00 3.28 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 45 P 0.00 4.65 0.00 1.99 2.21 0.00 3.83 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 1.93 1.91 0.00 46 E 8.79 4.14 0.00 1.61 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 2.23 2.30 0.00 47 G 7.61 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 0.00 0.00 0.00 48 E 7.95 4.27 0.00 2.03 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 2.30 2.31 0.00 49 I 8.32 4.33 1.54 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.51 -0.09 0.00 0.00 50 T 8.61 4.43 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 1.19 0.00 0.00 51 D 7.41 4.42 0.00 2.77 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 Y 9.14 3.61 0.00 3.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 R 8.59 3.88 0.00 2.02 1.96 0.00 3.36 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.77 0.00 54 T 8.34 4.06 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 1.27 0.00 0.00 55 R 8.16 3.90 0.00 1.93 1.94 0.00 3.20 0.00 0.00 3.28 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.76 0.00 56 V 7.59 3.88 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.89 0.00 0.00 57 S 8.60 4.35 0.00 4.08 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 G 8.03 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 59 V 7.72 4.18 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 1.07 0.00 0.00 1.23 0.00 0.00 60 T 8.17 4.57 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 1.15 0.00 0.00 61 P 0.00 4.08 0.00 1.97 1.77 0.00 3.23 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.35 0.00 62 Q 7.51 3.97 0.00 1.82 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 6.79 0.00 0.00 0.00 0.00 0.00 2.29 2.21 0.00 63 H 7.50 3.99 0.00 3.01 2.32 0.00 5.62 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 M 7.82 4.21 0.00 2.13 2.36 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.83 0.00 65 V 7.45 3.83 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 0.73 0.00 0.00 0.97 0.00 0.00 66 G 9.01 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 67 A 7.56 4.38 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 68 T 8.09 4.06 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 1.28 0.00 0.00 69 P 0.00 4.59 0.00 2.11 2.03 0.00 3.66 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 2.14 2.13 0.00 70 F 9.07 4.07 0.00 3.38 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 71 A 8.17 3.86 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 2.35 2.42 0.00 80 L 7.42 4.12 0.00 1.60 1.64 0.78 1.45 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 81 L 7.82 4.38 0.00 1.92 1.95 0.70 0.50 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 82 K 7.44 3.76 0.00 1.88 1.86 0.00 1.85 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.33 7.81 83 G 8.86 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 84 K 7.67 4.77 0.00 1.78 1.83 0.00 1.85 0.00 0.00 1.62 0.00 0.00 2.76 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.51 7.81 85 L 9.01 4.39 0.00 1.71 1.48 0.97 0.84 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 86 V 8.92 4.62 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 1.04 0.00 0.00 1.15 0.00 0.00 87 V 8.81 4.80 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.52 0.00 0.00 88 G 7.96 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 0.00 0.00 0.00 0.00 89 H 8.77 5.06 0.00 3.17 3.19 0.00 5.89 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 D 8.83 4.35 0.00 2.83 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 91 L 8.51 4.45 0.00 1.76 2.00 1.04 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 92 K 8.15 3.79 0.00 1.72 1.65 0.00 1.63 0.00 0.00 1.65 0.00 0.00 3.13 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.49 7.81 93 H 7.87 4.37 0.00 3.23 3.33 0.00 5.67 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 94 D 7.98 4.32 0.00 2.79 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 95 F 8.58 3.91 0.00 3.05 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 Q 8.18 4.04 0.00 2.37 2.19 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 0.00 135 E 8.33 3.89 0.00 2.17 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 2.28 2.35 0.00 136 R 8.10 3.94 0.00 1.79 1.94 0.00 3.16 0.00 0.00 3.28 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.78 0.00 137 L 8.24 4.49 0.00 1.74 1.75 1.03 0.84 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 0.00 138 L 7.92 4.48 0.00 1.86 1.73 1.07 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 139 H 8.27 4.72 0.00 3.23 3.39 0.00 5.89 0.00 0.00 0.00 0.00 8.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 K 8.18 4.46 0.00 1.69 1.67 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.34 7.81 141 S 8.71 4.50 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 0.00 142 I 7.80 4.79 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.80 0.91 0.00 0.00 143 Q 8.41 3.41 0.00 2.11 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.73 0.00 0.00 0.00 0.00 0.00 1.94 2.24 0.00 144 N 7.93 4.90 0.00 2.68 2.82 0.00 0.00 7.14 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 0.00 145 S 7.80 4.31 0.00 3.88 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 0.00 146 L 8.40 4.22 0.00 1.69 1.72 0.93 1.01 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 0.00 147 L 8.07 4.11 0.00 1.76 1.75 0.95 0.80 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 0.00 148 G 7.71 4.54 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 0.00 149 H 8.90 4.40 0.00 3.18 3.38 0.00 5.64 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 0.00 150 S 8.39 4.71 0.00 3.87 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 0.00 151 S 8.51 4.70 0.00 4.21 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 0.00 152 V 7.63 3.55 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.90 0.00 0.00 153 E 8.06 3.95 0.00 2.12 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 2.30 2.35 0.00 154 D 8.42 4.33 0.00 2.85 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 0.00 155 A 8.20 4.03 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 0.00 156 R 8.22 3.92 0.00 2.04 2.02 0.00 3.15 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 1.67 1.80 0.00 157 A 8.26 4.06 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 0.00 158 T 7.95 3.97 4.38 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 1.34 0.00 0.00 159 M 8.29 4.14 0.00 2.32 2.13 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.84 0.00 160 E 8.71 4.06 0.00 2.27 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 2.36 2.51 0.00 161 L 8.33 4.09 0.00 2.02 1.89 1.03 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 162 Y 8.29 3.86 0.00 2.87 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 Q 8.26 3.71 0.00 2.30 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.59 0.00 0.00 0.00 0.00 0.00 2.41 2.73 0.00 164 I 7.90 3.67 2.04 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 1.66 0.95 0.92 0.00 0.00 165 S 8.18 4.07 0.00 4.08 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 0.00 166 Q 7.73 3.84 0.00 1.88 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.59 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 167 R 7.93 3.93 0.00 1.94 1.93 0.00 3.09 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 168 I 8.00 3.70 2.00 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 1.52 1.23 0.92 0.00 0.00 169 R 8.12 3.90 0.00 1.99 1.97 0.00 3.28 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 170 A 8.19 4.14 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 0.00 171 R 8.20 4.07 0.00 1.91 1.87 0.00 3.25 0.00 0.00 3.22 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 172 R 7.44 4.75 0.00 1.83 1.97 0.00 3.19 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.73 0.00 173 G 7.84 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 0.00 174 L 7.87 4.52 0.00 1.72 1.60 0.94 1.07 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 0.00 175 P 0.00 4.40 0.00 2.16 2.06 0.00 3.51 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.11 0.00 176 R 8.19 4.13 0.00 1.81 1.86 0.00 3.18 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 177 L 8.80 4.08 0.00 1.69 1.73 1.16 0.76 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 0.00 178 A 8.70 4.20 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 * Residues marked with a * may have inaccurate shift predictions.