NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 R 4.3305 8.3545 119.0754 55.3880 31.8427 175.4125 *6 F 4.7773 7.8343 114.8946 55.4334 41.4180 178.7521 7 I 4.5072 8.1327 122.2194 60.1419 41.8751 173.6765 8 K 4.8506 8.6003 129.7911 55.3826 33.5416 174.5461 9 C 5.1136 9.2539 128.4716 57.5053 34.3068 172.3875 10 V 4.9446 8.2324 125.8391 61.5105 33.8195 174.0730 11 T 4.9748 8.8725 125.2509 62.5411 69.5752 174.6268 12 V 4.2819 9.8224 119.3132 59.0834 36.3498 174.7734 13 G 3.6790 6.9949 107.2815 43.3493 0.0000 172.5103 14 D 4.8748 8.2745 120.5531 53.6792 41.4780 176.5587 15 G 3.6802 8.5526 109.5759 47.2376 0.0000 173.6099 16 A 3.8131 8.8179 124.5827 52.6889 15.9758 179.2351 17 V 3.7675 7.3690 111.6043 63.4897 32.0314 177.2301 18 G 4.2943 8.3641 109.5431 45.7780 0.0000 176.1702 19 K 3.9104 8.4797 120.8972 59.5724 32.0372 179.1909 20 T 3.9561 7.7884 115.4318 66.8464 68.4274 176.4767 21 C 4.0936 8.0312 118.2034 62.5552 28.1843 175.6305 22 L 4.2732 7.9363 123.2553 57.7653 41.6885 179.2047 23 L 3.7869 7.5805 118.4146 57.5578 41.2441 179.6171 24 I 3.8322 7.8610 120.0550 64.3058 37.0557 178.3222 25 S 4.3564 8.4334 115.7433 61.0167 62.0357 175.6383 26 Y 4.1569 7.8410 120.9454 61.0250 38.6710 177.7072 27 T 3.8507 7.8478 109.1076 63.5428 69.2411 175.3226 28 S 4.5013 8.0829 114.8985 56.7926 65.1472 173.0722 29 N 4.5302 8.1301 117.0539 53.3761 37.0182 172.8049 30 T 4.7002 7.4020 109.0188 60.6852 70.9443 171.2968 31 F 5.0785 8.4271 125.4914 55.6785 41.2523 172.2684 32 P 4.0657 0.0000 0.0000 65.0422 31.9386 176.7937 *43 F 5.0595 7.5257 121.9074 57.5194 39.8785 173.3985 44 S 5.1150 8.2369 114.9805 57.5806 65.6437 173.6312 45 A 4.6754 8.4893 121.5550 50.9852 22.5876 175.3765 46 N 4.8491 8.7279 119.3107 52.4853 41.6056 174.7562 47 V 4.6117 8.4764 123.7037 59.8163 36.2637 172.5942 48 V 4.3936 7.8336 113.4594 60.3107 32.4518 177.5540 *56 L 4.3632 7.6424 124.0014 55.3226 43.9213 176.1542 57 G 4.6046 9.0792 114.6954 45.0053 0.0000 171.6530 58 L 5.4996 8.5007 125.3164 52.8813 43.8339 175.8839 59 W 4.8398 9.6168 124.5552 55.0368 31.4701 174.9268 60 D 5.2746 8.9768 124.1241 53.4180 42.4567 175.0246 61 T 4.8982 8.3590 111.8923 59.9582 72.5722 172.5712 62 A 4.4485 8.4034 124.9866 50.6968 20.7991 178.6144 63 G 4.5199 8.4900 117.8528 44.4730 0.0000 174.0347 *65 E 4.6959 7.8088 117.3552 56.6086 32.6503 180.2409 66 D 4.4400 8.3885 115.7974 56.4348 39.9216 180.3478 67 Y 4.3977 8.0592 113.5180 58.0994 38.3917 176.6532 68 N 4.3033 8.2729 120.5232 56.4562 38.2931 176.5931 69 R 4.1399 7.7792 117.8085 58.2417 31.0389 177.7426 70 L 4.1892 7.6886 118.2739 57.1227 41.8408 178.7684 71 R 3.9272 8.5036 119.2358 59.2356 30.1641 176.8044 72 P 2.9700 0.0000 0.0000 64.5075 30.7858 178.3597 73 L 3.9385 7.3710 117.2351 57.5642 41.5358 179.0345 74 S 4.3739 7.8806 113.7999 60.5913 63.1164 175.3071 75 Y 4.7042 7.8878 121.7421 59.2690 37.8055 176.3060 76 R 4.2184 7.6279 119.0502 57.2764 29.8757 182.0173 77 G 3.8329 8.9623 109.8248 44.8427 0.0000 173.4629 78 A 3.6416 7.7667 124.8210 53.0880 18.6267 178.4836 79 D 4.8088 8.3081 122.5321 54.8752 41.5419 175.5778 80 V 4.5293 7.0237 114.3594 60.9445 34.7404 172.7993 81 F 5.2115 8.9771 121.0969 55.8788 42.1768 174.5849 82 I 4.5188 8.7819 124.6716 60.0255 38.5897 174.8507 83 L 4.7610 8.8295 131.4052 53.5473 42.5454 174.7422 84 A 5.1376 8.7279 129.6809 50.5420 21.0625 175.7207 85 F 4.9391 8.7844 115.8616 55.0218 42.2427 173.5750 86 S 4.9781 8.8609 114.8114 56.9511 63.4556 174.7083 87 L 4.5438 8.9953 126.4986 56.1240 41.8514 177.9086 88 I 4.6972 7.9507 112.0115 60.5731 39.3538 175.3253 89 S 4.6158 8.4243 120.0583 56.3557 63.6079 174.6347 90 K 4.0244 8.4432 131.9096 59.9448 31.3536 176.1676 91 A 4.2907 8.1356 121.3556 55.2045 18.1681 179.7833 92 S 4.9102 7.8458 113.2555 61.1673 63.0974 175.7535 93 Y 3.8478 8.2194 125.2162 61.2534 38.6067 178.7707 94 E 3.9119 8.5370 119.1846 60.9095 29.7763 180.0360 95 N 4.7986 8.2170 115.1807 54.8250 38.6290 177.5804 96 V 3.8667 7.5517 123.1015 66.8674 31.4627 178.7276 97 S 4.1004 7.8465 115.5480 61.3912 62.6903 177.8911 98 K 4.1508 7.9467 121.8618 56.6555 31.9462 179.4363 99 K 4.2280 8.2978 118.4056 57.4111 33.5706 178.2552 100 W 4.2508 7.7446 118.3820 59.7558 29.1833 178.4817 101 I 3.7054 7.9735 119.7518 64.0510 36.7119 176.6027 102 P 4.2255 0.0000 0.0000 65.4845 30.9995 178.0746 103 E 4.0459 8.1982 117.9152 59.6176 29.6524 179.0378 104 L 3.9764 8.4662 121.5796 58.2271 41.3416 180.3136 105 K 4.3329 7.9761 122.9261 59.5081 31.6916 181.7366 106 H 4.4441 7.9502 116.6709 59.3331 29.8743 176.1783 107 Y 4.5366 7.6904 116.2156 58.6337 39.8178 176.4363 108 A 4.8390 8.5120 123.0230 50.0982 20.0457 174.0925 109 P 4.2577 0.0000 0.0000 63.8324 32.2704 177.7715 110 G 3.9751 8.9128 109.0283 45.2521 0.0000 173.5678 111 V 4.0409 7.2153 120.4424 61.6287 32.1391 174.3675 112 P 4.6077 0.0000 0.0000 63.0700 32.8178 174.8804 113 I 4.9977 8.2191 120.8753 59.6255 40.2311 174.9681 114 V 4.2147 8.7528 127.5711 61.1858 33.2126 174.2493 115 L 4.8485 8.8764 131.3602 54.4835 43.5997 175.3963 116 V 4.6285 9.0190 126.1235 60.9989 34.7544 174.1688 117 G 3.5428 8.5041 115.9123 44.7729 0.0000 173.5336 118 T 4.6566 8.5618 117.5021 60.0677 71.8675 174.4575 119 K 4.2156 8.3507 117.1188 57.6065 29.4877 178.2418 120 L 3.9488 7.9830 122.5595 58.1012 41.8128 177.2354 121 D 4.2996 7.8485 118.1452 56.4116 39.4986 178.2203 122 L 3.7524 7.5356 119.8221 57.2428 41.3117 179.2434 123 R 4.2669 7.7905 117.2806 59.6869 30.1392 177.9267 124 D 4.7264 7.9918 117.3434 55.3130 41.0784 176.1435 125 D 4.8421 7.8553 121.7301 53.0696 42.0876 177.3572 126 K 4.3182 8.6955 133.2834 59.9972 31.7661 175.4258 127 Q 4.2463 8.5894 119.5410 58.8621 28.9773 177.8815 128 F 3.9998 8.0157 122.0585 61.4241 39.1337 177.1715 129 F 4.1716 7.8818 115.3159 60.0903 38.8579 177.4569 130 I 3.8822 7.4300 119.1602 64.5771 37.0235 177.9592 131 D 4.3723 7.7920 118.2309 57.6250 41.0538 176.4739 132 H 4.4258 7.6085 118.2102 54.6597 29.7324 173.0885 *135 A 4.2423 8.6316 131.0033 53.7318 18.2707 176.7307 136 V 4.6218 8.1929 120.3330 58.7360 35.0457 171.7307 137 P 4.9425 0.0000 0.0000 61.9098 32.3687 175.6468 138 I 4.5762 8.2917 122.9435 59.7697 38.9664 176.0583 139 T 4.2961 8.6176 117.2803 61.0660 70.2112 175.6973 140 T 4.6843 8.6493 120.8198 66.6372 68.4252 177.1268 141 V 3.6854 7.7511 113.4364 64.5350 31.6096 178.4948 142 Q 4.1277 8.1715 117.9527 58.8322 28.3795 179.1838 143 G 3.4687 8.0816 108.2470 47.0674 0.0000 175.7462 144 E 3.8114 8.0881 120.8756 59.1614 29.4644 179.2831 145 E 3.9740 8.2347 118.7484 59.1175 29.4658 179.1544 146 L 3.8003 7.7102 120.2345 57.6696 42.2227 178.5250 147 K 3.7483 7.9398 119.9069 59.8054 31.9098 178.7233 148 K 3.9601 7.9650 118.2833 59.3333 31.7503 179.0211 149 L 3.9319 7.7844 119.7526 57.7425 42.1060 178.2585 150 I 4.1966 7.5745 109.8522 60.3221 38.0783 176.2958 151 G 3.7997 7.5835 108.5871 46.1253 0.0000 173.5424 152 A 4.2445 7.7095 122.7862 50.9005 18.7082 177.4169 153 P 4.3854 0.0000 0.0000 64.8322 31.9675 176.3215 154 A 4.8467 7.7103 119.7190 50.2622 22.9887 174.2153 155 Y 5.3165 8.5389 120.6530 56.0445 42.4126 173.9730 156 I 4.3210 8.3234 126.6742 59.3793 41.4424 174.1531 157 E 4.9022 8.1825 125.3834 55.0187 31.8822 174.6708 158 C 5.1075 8.7304 117.3215 57.1169 34.2174 172.7471 159 S 4.6352 8.6532 113.6703 56.6386 64.4269 175.0633 160 S 4.2525 8.8787 123.9668 61.3013 63.2275 176.7816 161 K 2.6093 7.7738 120.9489 58.7142 31.8496 177.7177 162 S 4.2620 7.6043 110.5980 58.0605 63.6479 175.2515 163 Q 3.7487 8.0581 119.2034 55.6251 27.6057 172.8325 164 E 3.8628 7.7149 119.9114 57.8161 30.1164 177.1225 165 N 4.2664 9.0586 121.2399 54.0007 37.0866 176.1462 166 V 3.5852 7.7810 119.3245 65.9748 31.5353 177.7177 167 K 4.3452 8.3273 119.0427 59.6459 31.9136 178.6282 168 G 3.5995 8.0279 105.5131 47.6266 0.0000 175.4642 169 V 3.2837 7.3769 120.0646 65.9433 31.4815 178.0981 170 F 4.0249 7.4867 118.5243 60.3791 38.7740 178.4381 171 D 4.4309 8.3407 121.0272 58.1259 39.4716 182.3290 172 A 4.1094 8.2289 121.8853 55.0265 18.3330 179.3701 173 A 3.8706 7.7544 119.2496 55.6554 18.3617 180.0444 174 I 3.8839 8.0566 120.5612 65.0522 36.9484 179.4603 175 R 3.9513 7.8098 120.6643 61.6446 29.3058 181.1557 176 V 3.9832 7.9443 111.8665 63.3416 31.5530 178.3659 177 V 4.0107 7.0713 109.8452 62.2115 32.6748 176.9689 178 L 4.0911 7.5839 120.0520 54.9761 42.0637 177.7452 179 Q 4.1397 8.4662 121.2804 54.2906 28.7201 173.7517 180 P 4.4967 0.0000 0.0000 62.0081 31.3276 176.3003 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 5 R 8.35 4.33 0.00 1.85 1.90 0.00 3.18 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 *6 F 7.83 4.78 0.00 2.33 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.13 4.51 1.92 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 1.23 0.64 0.92 0.00 0.00 8 K 8.60 4.85 0.00 1.54 1.40 0.00 0.86 0.00 0.00 1.12 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.85 0.21 7.81 9 C 9.25 5.11 0.00 3.06 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 10 V 8.23 4.94 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 1.32 0.00 0.00 0.73 0.00 0.00 11 T 8.87 4.97 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 1.17 0.00 0.00 12 V 9.82 4.28 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 0.81 0.00 0.00 0.62 0.00 0.00 13 G 6.99 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 0.00 0.00 0.00 14 D 8.27 4.87 0.00 2.89 2.79 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 0.00 0.00 0.00 0.00 15 G 8.55 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 0.00 0.00 0.00 16 A 8.82 3.81 1.43 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 0.00 0.00 0.00 17 V 7.37 3.77 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 0.78 0.00 0.00 0.91 0.00 0.00 18 G 8.36 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 0.00 0.00 0.00 0.00 19 K 8.48 3.91 0.00 1.78 1.83 0.00 1.59 0.00 0.00 1.76 0.00 0.00 3.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.47 7.81 20 T 7.79 3.96 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 1.30 0.00 0.00 21 C 8.03 4.09 0.00 3.02 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 22 L 7.94 4.27 0.00 1.91 1.88 1.00 0.25 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 23 L 7.58 3.79 0.00 0.82 0.22 0.60 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.86 3.83 2.02 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.02 1.00 0.00 0.00 25 S 8.43 4.36 0.00 3.98 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Y 7.84 4.16 0.00 2.83 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 27 T 7.85 3.85 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 1.29 0.00 0.00 28 S 8.08 4.50 0.00 3.99 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 29 N 8.13 4.53 0.00 2.79 2.84 0.00 0.00 6.85 7.33 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 30 T 7.40 4.70 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 31 F 8.43 5.08 0.00 3.04 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.07 0.00 1.83 1.85 0.00 2.83 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.95 0.00 *43 F 7.53 5.06 0.00 2.93 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 44 S 8.24 5.11 0.00 3.82 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 45 A 8.49 4.68 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 N 8.73 4.85 0.00 2.63 2.65 0.00 0.00 6.65 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 47 V 8.48 4.61 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 0.81 0.00 0.00 0.93 0.00 0.00 48 V 7.83 4.39 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 0.91 0.00 0.00 0.93 0.00 0.00 *56 L 7.64 4.36 0.00 1.89 1.75 1.05 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 57 G 9.08 4.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 L 8.50 5.50 0.00 1.61 1.64 0.84 0.95 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 59 W 9.62 4.84 0.00 3.37 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 D 8.98 5.27 0.00 2.90 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 T 8.36 4.90 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 1.44 0.00 0.00 62 A 8.40 4.45 0.59 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 0.00 0.00 63 G 8.49 4.52 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 *65 E 7.81 4.70 0.00 1.93 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 1.84 0.00 66 D 8.39 4.44 0.00 2.69 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 67 Y 8.06 4.40 0.00 3.12 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 68 N 8.27 4.30 0.00 2.73 2.91 0.00 0.00 6.57 7.81 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 69 R 7.78 4.14 0.00 1.80 1.91 0.00 3.23 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.72 0.00 70 L 7.69 4.19 0.00 1.79 1.78 0.63 0.82 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 71 R 8.50 3.93 0.00 1.98 2.15 0.00 3.53 0.00 0.00 3.70 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.82 0.00 72 P 0.00 2.97 0.00 1.22 0.49 0.00 3.51 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 1.87 1.99 0.00 73 L 7.37 3.94 0.00 1.68 1.71 0.91 0.72 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 74 S 7.88 4.37 0.00 4.01 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 75 Y 7.89 4.70 0.00 3.06 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 76 R 7.63 4.22 0.00 1.83 1.73 0.00 3.38 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.20 0.00 77 G 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P 0.00 4.23 0.00 2.09 2.05 0.00 3.68 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 2.24 2.11 0.00 103 E 8.20 4.05 0.00 2.11 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 0.00 2.72 2.78 0.00 104 L 8.47 3.98 0.00 1.57 1.31 0.56 -0.18 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 0.00 105 K 7.98 4.33 0.00 1.87 1.72 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.31 7.81 106 H 7.95 4.44 0.00 3.08 3.26 0.00 5.71 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 Y 7.69 4.54 0.00 3.20 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 0.00 108 A 8.51 4.84 1.50 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 0.00 0.00 109 P 0.00 4.26 0.00 2.20 2.09 0.00 3.83 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.04 0.00 110 G 8.91 3.98 0.00 0.00 0.00 0.00 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0.00 4.94 0.00 1.93 1.86 0.00 3.49 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.04 0.00 138 I 8.29 4.58 2.04 0.00 0.00 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 0.74 0.23 0.72 0.00 0.00 139 T 8.62 4.30 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 1.17 0.00 0.00 140 T 8.65 4.68 4.31 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 0.00 0.00 0.00 1.34 0.00 0.00 141 V 7.75 3.69 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 0.94 0.00 0.00 0.92 0.00 0.00 142 Q 8.17 4.13 0.00 2.07 1.95 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 2.31 2.32 0.00 143 G 8.08 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 E 8.09 3.81 0.00 2.19 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.58 0.00 145 E 8.23 3.97 0.00 1.99 1.98 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 154 A 7.71 4.85 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 Y 8.54 5.32 0.00 3.04 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 0.00 156 I 8.32 4.32 1.62 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.68 0.71 0.00 0.00 157 E 8.18 4.90 0.00 1.74 1.69 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 2.04 1.79 0.00 158 C 8.73 5.11 0.00 2.99 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 0.00 159 S 8.65 4.64 0.00 3.85 3.60 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 0.00 160 S 8.88 4.25 0.00 4.13 4.23 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 0.00 161 K 7.77 2.61 0.00 0.79 1.35 0.00 1.33 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.02 0.57 7.81 162 S 7.60 4.26 0.00 3.96 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 0.00 163 Q 8.06 3.75 0.00 2.30 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.96 0.00 0.00 0.00 0.00 0.00 2.24 2.43 0.00 164 E 7.71 3.86 0.00 1.98 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 0.00 2.27 2.27 0.00 165 N 9.06 4.27 0.00 2.96 2.83 0.00 0.00 6.77 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 V 7.78 3.59 2.29 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 1.25 0.00 0.00 1.00 0.00 0.00 167 K 8.33 4.35 0.00 1.99 1.88 0.00 1.86 0.00 0.00 1.90 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.65 1.80 7.81 168 G 8.03 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 V 7.38 3.28 1.61 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 0.17 0.00 0.00 0.71 0.00 0.00 170 F 7.49 4.02 0.00 2.43 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 0.00 171 D 8.34 4.43 0.00 2.68 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 A 8.23 4.11 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 173 A 7.75 3.87 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 I 8.06 3.88 1.90 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.82 0.94 0.00 0.00 175 R 7.81 3.95 0.00 1.93 1.85 0.00 3.27 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 176 V 7.94 3.98 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 0.93 0.00 0.00 0.91 0.00 0.00 177 V 7.07 4.01 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 0.80 0.00 0.00 1.03 0.00 0.00 178 L 7.58 4.09 0.00 1.72 1.61 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 179 Q 8.47 4.14 0.00 2.07 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.07 0.00 0.00 0.00 0.00 0.00 2.28 1.95 0.00 180 P 0.00 4.50 0.00 2.03 2.00 0.00 3.68 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 * Residues marked with a * may have inaccurate shift predictions.