NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 V 4.1035 8.0549 120.3138 60.5307 32.6371 175.8092 13 P 4.2580 0.0000 0.0000 61.8090 33.1966 175.5746 14 D 4.6284 9.2479 122.7124 57.9122 41.2604 179.0033 15 A 4.0786 8.0191 120.5648 54.9760 18.4181 179.7541 16 V 3.5306 7.5916 116.5924 66.0278 31.6863 178.3042 17 V 3.4189 7.6916 118.0956 65.7803 31.2202 177.9905 18 R 3.4204 8.0402 118.8163 59.3365 29.9042 178.2395 19 E 3.8891 8.1439 118.3582 59.5622 29.5313 179.3861 20 S 4.0341 7.9935 113.0488 61.1801 62.3081 176.3131 21 I 3.5588 7.7129 122.6310 64.4166 36.9105 178.5604 22 V 3.6007 8.0013 119.4559 65.8196 31.2324 178.3021 23 G 3.5646 8.2968 105.3566 47.6570 0.0000 175.4496 24 A 3.9589 8.1165 123.3755 54.8272 18.3781 179.5526 25 A 3.9036 8.2140 119.4986 55.3637 18.4400 179.6775 26 Q 3.9629 8.2100 118.0298 59.3436 29.1423 178.5395 27 R 3.9486 8.1967 119.2086 59.3428 30.0632 179.0959 28 L 4.0059 7.9803 118.6658 57.7639 41.6502 179.4487 29 L 4.1753 8.1149 119.0003 58.1563 41.3438 179.8753 30 S 4.2499 8.1665 114.3277 61.1255 62.8398 176.2448 31 S 4.6379 7.9752 116.2809 60.1735 63.2473 175.7636 32 G 4.0337 8.0330 108.2956 44.9882 0.0000 174.2326 33 G 3.8987 8.3982 110.8889 44.3856 0.0000 174.4185 34 A 4.0790 8.7882 120.0871 55.2324 18.5239 179.2906 35 A 4.0491 8.0590 117.4406 55.0764 19.1346 178.1247 36 A 4.3823 7.5729 120.7423 51.3061 18.2237 176.8354 *38 T 4.3170 6.9697 119.1036 60.8878 70.5482 176.8336 *40 E 4.1498 8.8624 117.7573 55.9220 31.3155 177.6648 41 G 3.5999 8.3947 105.6681 47.7340 0.0000 175.8889 42 V 3.5292 8.0575 120.8097 65.5614 31.5725 177.8872 43 A 3.9056 7.8878 119.9913 55.2458 17.7107 179.5147 44 S 4.0151 8.0711 113.5150 61.9066 62.7545 176.6961 45 E 3.9446 8.1725 120.2706 58.8958 29.4549 177.9779 46 A 4.6771 7.6516 120.5815 51.3720 18.9724 177.7157 47 G 3.7874 7.8029 104.4177 46.0138 0.0000 173.2685 48 I 4.5790 7.5163 110.8811 57.7947 40.9349 175.1003 49 A 4.4050 8.0812 122.2110 51.0088 20.9599 178.5174 50 K 3.4741 8.4429 120.8293 59.4422 31.8563 179.8147 51 K 4.0597 8.0203 117.4416 60.0757 32.5771 178.9015 52 T 4.2020 7.6351 116.3811 66.2734 68.7418 176.3316 53 L 4.0247 7.8859 122.2223 58.6967 41.7905 178.6349 54 Y 5.2490 7.8551 116.4945 60.2447 37.8205 178.2405 55 R 4.0220 8.1081 118.4878 58.1883 30.1192 177.2198 56 F 4.5907 8.3696 116.2012 58.0479 40.9897 176.0821 57 A 4.8384 7.7559 122.0403 51.1230 21.8344 176.6193 58 S 4.5879 9.3827 118.8937 59.5666 64.0576 174.0415 59 G 4.1296 7.3481 107.0682 44.0595 0.0000 173.9018 60 R 3.8972 8.5103 117.0350 59.1600 29.8877 178.9732 61 A 3.8839 8.1110 120.1767 55.3411 18.4376 179.2890 62 D 4.3380 8.0516 116.8438 57.2959 40.9038 178.7774 63 L 3.9228 7.6465 119.2208 57.7706 41.5135 179.5425 64 I 3.5725 7.5988 119.8155 64.2437 36.9480 178.7303 65 G 3.5144 8.0208 106.4771 47.7409 0.0000 175.7479 66 L 3.9166 7.9592 121.4791 57.2427 41.3700 179.4345 67 L 3.5351 7.5046 119.2790 58.0497 42.4249 178.8703 68 V 2.5805 7.2982 118.2910 65.5353 31.3756 177.4962 69 E 4.0285 8.1046 119.4146 59.2432 29.2242 178.9292 70 S 4.3961 7.4871 113.1586 60.7652 63.0665 176.0498 71 W 4.6407 7.6958 122.3020 58.5004 29.2179 177.4543 72 I 4.3886 7.5990 110.9750 61.3379 38.2863 177.4303 73 A 4.0387 8.3660 124.1397 54.6616 18.2366 176.6465 74 P 4.5380 0.0000 0.0000 64.0915 32.0771 177.5991 75 I 3.7460 7.7659 120.6801 64.6100 37.1844 177.3811 76 F 4.2396 8.1709 116.9409 59.4634 39.6185 173.7441 77 P 4.3239 0.0000 0.0000 63.1311 29.9270 175.6131 *80 E 4.1321 7.8263 112.1414 55.7108 31.1102 177.2075 81 A 4.5564 8.7277 126.8670 52.5213 19.6249 176.5222 82 D 4.8652 7.6217 115.1056 52.5291 41.7861 173.8177 83 P 4.5481 0.0000 0.0000 62.9414 32.4592 176.7178 84 Q 4.1210 8.5784 118.3100 57.6758 29.3031 176.1422 85 D 4.7925 7.7377 116.9025 51.6920 41.6804 175.5954 86 A 4.2044 8.3599 127.8943 54.7484 18.6538 178.8748 87 A 4.0404 8.1435 118.7028 55.2941 18.6631 179.5885 88 A 3.9553 8.3923 119.1736 55.1959 18.4519 179.7508 89 A 3.9535 8.1843 119.4566 55.0820 18.3743 179.6617 90 L 3.5587 8.1369 118.9625 58.2531 42.2268 178.9967 91 E 3.9350 8.2868 118.5794 59.4248 29.3858 179.4237 92 R 3.8076 7.7621 118.5193 59.2612 30.1362 178.6476 93 I 3.3595 7.5423 119.5879 64.3072 37.0061 178.6077 94 V 3.5287 7.8263 119.2043 65.9774 31.2817 177.2224 95 Y 3.9578 8.0064 119.2774 61.0051 38.7443 178.0704 96 D 4.2953 8.2261 119.6157 57.2499 40.9094 178.8663 97 I 3.6199 7.8102 120.1271 64.2911 37.1409 178.2360 98 A 3.8637 8.1404 121.9221 55.3702 17.9445 179.7321 99 Q 3.6071 7.6660 115.1613 58.8151 28.7193 178.6188 100 A 3.9507 7.4867 120.7694 54.1161 18.5604 179.0334 101 V 4.1746 7.3835 107.5827 61.0774 32.6883 176.3854 102 L 4.5926 7.3611 118.5736 54.0189 42.4630 176.5537 103 S 4.7009 7.3498 116.5320 57.1736 65.0402 174.7873 104 R 3.8445 8.2476 121.3776 59.6334 29.7942 178.3028 105 E 3.9550 7.8950 117.6826 59.1985 29.5853 178.9977 106 A 3.7939 7.4770 120.7911 55.1667 18.3397 179.9496 107 V 3.7634 8.1349 117.1668 65.9252 31.3337 178.1719 108 S 4.1301 8.1687 112.6858 61.1579 62.2774 175.6177 109 L 4.2022 7.8884 122.0304 58.1230 42.1485 178.2579 110 F 4.3865 8.5061 120.6521 61.2313 39.4633 178.3416 111 R 3.9707 8.2582 117.6199 56.4289 29.3943 178.1165 *113 L 4.1031 8.0140 118.6347 54.1483 43.6051 179.2147 114 A 3.7865 7.6818 120.5910 54.6472 18.2455 178.3190 115 S 4.3609 7.5371 109.4529 59.2507 63.6401 174.4783 116 D 4.4128 7.7779 119.3674 51.6364 43.5082 175.0618 117 A 3.9187 8.5690 130.2988 55.2204 18.3690 178.4535 118 D 4.1921 8.0378 116.1670 57.4196 41.3907 178.3313 119 L 3.4582 8.0756 119.5866 57.4227 41.4510 179.6512 120 R 3.8362 8.0176 118.2320 59.1861 29.7922 178.4663 121 N 4.2392 8.0689 115.9713 56.8714 38.9853 176.8055 122 R 4.0822 7.8475 118.3272 58.4617 30.5813 178.0258 123 F 5.0955 8.4725 115.7153 57.5623 40.2299 177.5878 124 L 4.1180 8.2910 121.2581 57.7498 41.8516 176.9899 125 P 4.3271 0.0000 0.0000 65.5510 31.1740 178.4300 126 A 4.0085 8.0519 119.0997 55.2049 18.3580 178.8302 127 Y 4.0166 8.2279 118.0645 60.9984 38.7032 177.9570 128 N 4.2889 8.6674 116.8386 56.6119 39.1710 176.5019 129 A 4.1545 8.1748 121.3565 54.1626 18.5598 178.2633 130 N 4.8307 7.7159 112.3471 53.5990 40.0126 176.6529 131 G 4.0180 7.7195 108.4810 44.1226 0.0000 176.4881 132 I 3.6221 8.4751 122.6795 64.2287 37.6175 177.0324 133 E 3.9940 8.1055 119.6201 59.1381 29.4278 178.8757 134 R 3.8704 8.1098 118.2428 59.4687 30.1431 179.2348 135 S 4.2012 8.0356 114.4515 61.4764 62.8144 176.5614 136 R 3.8918 8.4838 121.8863 59.4581 29.9128 178.6198 137 R 3.8471 7.8933 118.3765 59.3568 30.0602 178.3347 138 E 3.5927 8.1394 118.5232 59.2069 29.2465 179.1317 139 L 4.1041 8.1276 120.5254 57.9720 42.0960 178.7661 140 A 4.0531 8.2119 120.9516 55.2451 18.3718 179.8208 141 R 3.8593 7.9109 116.3773 59.1186 30.2535 179.1318 142 W 4.1129 8.2345 128.1175 60.5476 30.7791 177.9859 143 L 4.0856 8.6722 119.3549 58.0002 41.0616 179.2643 144 D 4.3700 8.3513 118.8998 57.3589 40.5647 178.8748 145 Q 3.8919 7.7786 118.1144 59.1043 28.6844 178.8665 146 Q 3.7594 7.5473 118.2071 58.4460 28.6379 178.5067 147 A 4.2652 7.8024 123.4641 54.6517 18.1926 179.8826 148 S 4.1165 7.9407 112.6019 60.8826 62.9268 175.6528 149 A 4.4690 7.3974 121.1265 51.0402 18.7680 177.4075 150 G 3.8458 7.5833 105.3249 46.6076 0.0000 175.2152 151 R 4.1977 8.2798 122.0790 57.7885 30.5869 177.1265 152 L 4.6877 7.1669 117.3857 52.3371 43.2673 172.3792 153 P 4.4773 0.0000 0.0000 62.3516 32.3181 176.8257 154 L 4.8298 8.1430 120.3039 52.4212 44.7102 175.0986 155 P 4.4567 0.0000 0.0000 64.1713 31.9201 175.5291 156 I 4.7314 7.2214 110.7091 57.2203 41.0738 173.3998 157 P 4.3428 0.0000 0.0000 62.5813 32.9757 177.3621 158 A 4.0737 8.7161 123.0350 55.5025 18.3303 180.0764 159 E 4.0736 8.1544 115.5161 59.6232 29.5554 179.6006 160 R 3.9458 7.7988 118.5435 58.8578 30.3085 178.8128 161 V 3.5720 7.8917 117.8398 65.9150 31.5560 177.6175 162 A 4.0182 8.4614 120.8479 55.3843 18.1262 179.0567 163 D 4.2664 7.9132 115.5857 57.6637 41.3316 178.5059 164 L 3.9900 8.2470 119.8114 57.5080 41.6371 179.2698 165 L 3.9434 8.4395 120.6481 58.2814 42.0547 178.9324 166 L 3.9937 8.0137 118.8646 57.9510 41.5844 179.6245 167 S 4.0561 8.4102 112.9425 61.2148 62.1147 175.8920 168 A 4.0043 8.1553 122.9498 55.2454 18.1820 179.4032 169 V 3.7995 7.6096 115.2171 65.4598 31.9843 177.4767 170 I 4.2097 8.0528 118.6285 62.5540 37.9146 178.0504 171 A 3.9070 8.0235 121.8643 55.0024 18.1698 179.2523 172 E 3.8455 8.0945 117.3162 59.0521 29.7938 176.8934 173 P 4.6448 0.0000 0.0000 64.8674 31.3437 178.1069 174 L 3.8976 8.1584 119.2096 58.1588 42.0680 178.8928 175 R 3.9257 7.9402 118.4313 59.6834 29.8720 178.4054 176 Q 3.9910 8.3098 117.8583 59.1987 28.7237 179.0591 177 I 4.4140 8.1492 122.5027 64.1621 36.9079 178.5401 178 T 4.0130 8.0777 116.0387 66.4781 68.4610 175.7896 179 L 4.4215 7.7827 117.3977 54.4480 42.0092 177.7358 180 G 3.9635 7.8098 107.1874 45.8420 0.0000 174.9712 181 L 4.1385 7.9831 121.2015 56.8050 42.1620 177.4516 182 R 4.6131 7.4256 115.6124 54.3248 34.1231 174.2554 183 E 4.7053 8.5382 119.3693 54.9042 30.8512 175.0542 184 P 4.5376 0.0000 0.0000 62.1744 31.8983 176.4832 185 L 3.9698 8.0817 120.8325 54.6126 41.1231 175.8397 186 P 4.2818 0.0000 0.0000 62.6183 31.9601 177.8094 187 A 4.2416 7.8012 125.0194 54.9376 18.5373 178.4891 188 W 5.0309 6.7795 111.4902 54.4799 31.1946 174.5547 189 D 4.5590 8.8653 119.2229 53.5646 40.5809 176.4719 190 I 4.2895 7.9760 125.8813 61.4361 38.1751 176.6177 191 A 4.1362 8.3381 121.9358 55.8005 18.1405 177.8536 192 P 4.2154 0.0000 0.0000 65.6609 31.3694 178.8358 193 R 3.9209 8.0583 117.1480 59.3369 30.0839 178.5347 194 V 3.5865 8.1599 118.0170 65.9649 31.5746 177.8155 195 A 4.0095 8.3024 120.7013 55.3736 18.0960 179.3797 196 D 4.3241 8.4382 117.3225 57.3728 40.8488 178.9077 197 A 4.0032 8.2934 121.5102 55.1482 18.4081 179.8430 198 V 3.5741 7.9946 116.8750 66.2189 31.4010 178.2299 199 R 3.9365 7.9657 117.2952 58.8556 29.8854 177.5734 200 L 4.2918 7.4693 118.9932 56.9188 42.6117 177.6738 201 I 4.2813 8.0971 117.9241 61.8572 39.2626 176.3316 202 A 4.7458 7.8948 121.6384 50.2591 19.2602 174.0602 203 P 4.4558 0.0000 0.0000 62.8288 31.3862 176.9862 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 12 V 8.05 4.10 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 0.93 0.00 0.00 0.92 0.00 0.00 13 P 0.00 4.26 0.00 2.28 2.03 0.00 3.62 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.24 0.00 14 D 9.25 4.63 0.00 2.79 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 15 A 8.02 4.08 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 16 V 7.59 3.53 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 1.00 0.00 0.00 0.93 0.00 0.00 17 V 7.69 3.42 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 0.48 0.00 0.00 0.95 0.00 0.00 18 R 8.04 3.42 0.00 1.98 2.02 0.00 3.18 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.72 0.00 19 E 8.14 3.89 0.00 2.17 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 2.31 2.56 0.00 20 S 7.99 4.03 0.00 3.82 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 I 7.71 3.56 1.82 0.00 0.00 0.36 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 0.42 0.82 0.00 0.00 22 V 8.00 3.60 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 0.95 0.00 0.00 0.89 0.00 0.00 23 G 8.30 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 0.00 0.00 0.00 24 A 8.12 3.96 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.21 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 26 Q 8.21 3.96 0.00 2.29 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.74 0.00 0.00 0.00 0.00 0.00 2.48 2.52 0.00 27 R 8.20 3.95 0.00 2.03 1.97 0.00 3.18 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.95 0.00 28 L 7.98 4.01 0.00 1.83 1.86 0.95 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 29 L 8.11 4.18 0.00 1.98 1.79 0.98 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 30 S 8.17 4.25 0.00 4.00 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 31 S 7.98 4.64 0.00 4.05 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 G 8.03 4.03 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 0.00 0.00 0.00 33 G 8.40 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 34 A 8.79 4.08 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.06 4.05 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 36 A 7.57 4.38 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 6.97 4.32 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 *40 E 8.86 4.15 0.00 2.05 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 2.27 2.30 0.00 41 G 8.39 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 42 V 8.06 3.53 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 1.03 0.00 0.00 0.92 0.00 0.00 43 A 7.89 3.91 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 44 S 8.07 4.02 0.00 4.04 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 45 E 8.17 3.94 0.00 2.01 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 2.31 2.35 0.00 46 A 7.65 4.68 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 7.80 3.79 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 0.00 0.00 0.00 48 I 7.52 4.58 1.84 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.70 0.85 0.00 0.00 49 A 8.08 4.40 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 50 K 8.44 3.47 0.00 1.70 1.51 0.00 1.66 0.00 0.00 1.89 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.03 1.32 7.81 51 K 8.02 4.06 0.00 1.97 2.02 0.00 1.60 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.57 7.81 52 T 7.64 4.20 4.42 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 1.34 0.00 0.00 53 L 7.89 4.02 0.00 1.63 1.52 0.89 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 7.86 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0.00 0.00 0.00 0.00 0.00 132 I 8.48 3.62 1.84 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.04 0.89 0.00 0.00 133 E 8.11 3.99 0.00 2.16 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 2.38 1.97 0.00 134 R 8.11 3.87 0.00 2.05 1.95 0.00 3.32 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.86 0.00 135 S 8.04 4.20 0.00 4.05 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 R 8.48 3.89 0.00 2.00 2.13 0.00 3.10 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 137 R 7.89 3.85 0.00 2.07 1.97 0.00 3.13 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 138 E 8.14 3.59 0.00 1.36 1.12 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 2.22 2.20 0.00 139 L 8.13 4.10 0.00 1.99 1.91 1.03 1.17 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 0.00 140 A 8.21 4.05 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 0.00 141 R 7.91 3.86 0.00 2.04 1.99 0.00 3.08 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.86 0.00 142 W 8.23 4.11 0.00 3.50 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 L 8.67 4.09 0.00 1.99 1.79 1.04 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 144 D 8.35 4.37 0.00 2.90 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 0.00 145 Q 7.78 3.89 0.00 1.92 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.31 2.56 0.00 146 Q 7.55 3.76 0.00 1.75 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 1.34 1.16 0.00 147 A 7.80 4.27 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 0.00 148 S 7.94 4.12 0.00 3.97 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 0.00 149 A 7.40 4.47 1.21 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 0.00 0.00 150 G 7.58 3.85 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 0.00 0.00 0.00 151 R 8.28 4.20 0.00 1.66 1.93 0.00 3.47 0.00 0.00 3.18 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 152 L 7.17 4.69 0.00 1.60 1.51 1.10 1.08 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 0.00 153 P 0.00 4.48 0.00 2.17 2.04 0.00 3.70 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 1.98 0.00 154 L 8.14 4.83 0.00 1.61 1.69 0.95 1.09 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 0.00 155 P 0.00 4.46 0.00 2.19 2.18 0.00 3.72 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 156 I 7.22 4.73 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.74 0.92 0.00 0.00 157 P 0.00 4.34 0.00 2.19 2.02 0.00 3.62 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 158 A 8.72 4.07 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 0.00 159 E 8.15 4.07 0.00 2.31 2.23 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 2.36 1.97 0.00 160 R 7.80 3.95 0.00 2.01 2.03 0.00 3.31 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.64 0.00 161 V 7.89 3.57 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 1.01 0.00 0.00 1.05 0.00 0.00 162 A 8.46 4.02 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 0.00 163 D 7.91 4.27 0.00 2.93 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 0.00 164 L 8.25 3.99 0.00 1.79 1.72 0.94 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 165 L 8.44 3.94 0.00 1.81 1.78 0.96 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 166 L 8.01 3.99 0.00 1.84 1.72 0.96 0.67 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 0.00 167 S 8.41 4.06 0.00 3.94 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 0.00 168 A 8.16 4.00 1.39 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 0.00 0.00 0.00 0.00 0.00 169 V 7.61 3.80 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 0.89 0.00 0.00 0.99 0.00 0.00 170 I 8.05 4.21 1.97 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 1.41 0.53 0.86 0.00 0.00 171 A 8.02 3.91 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 0.00 172 E 8.09 3.85 0.00 2.09 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 2.36 2.43 0.00 173 P 0.00 4.64 0.00 2.47 2.57 0.00 4.11 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.16 0.00 174 L 8.16 3.90 0.00 1.70 1.74 0.72 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 175 R 7.94 3.93 0.00 2.05 2.11 0.00 3.17 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 176 Q 8.31 3.99 0.00 2.26 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.59 0.00 0.00 0.00 0.00 0.00 2.31 2.60 0.00 177 I 8.15 4.41 1.95 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 1.92 1.99 1.02 0.00 0.00 178 T 8.08 4.01 4.58 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 1.38 0.00 0.00 179 L 7.78 4.42 0.00 1.67 1.72 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 180 G 7.81 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 0.00 181 L 7.98 4.14 0.00 1.74 1.67 0.90 0.62 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 0.00 182 R 7.43 4.61 0.00 1.69 1.48 0.00 2.21 0.00 0.00 2.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.34 0.00 183 E 8.54 4.71 0.00 2.10 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 2.35 2.32 0.00 184 P 0.00 4.54 0.00 2.14 1.99 0.00 3.64 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 2.12 2.13 0.00 185 L 8.08 3.97 0.00 1.50 1.34 0.45 -0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 186 P 0.00 4.28 0.00 2.09 2.20 0.00 3.59 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.84 0.00 187 A 7.80 4.24 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 W 6.78 5.03 0.00 3.71 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 D 8.87 4.56 0.00 2.72 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 I 7.98 4.29 1.21 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.58 0.00 0.00 191 A 8.34 4.14 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 0.00 192 P 0.00 4.22 0.00 2.24 2.15 0.00 3.84 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.19 0.00 193 R 8.06 3.92 0.00 2.01 2.19 0.00 3.32 0.00 0.00 3.50 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.75 0.00 194 V 8.16 3.59 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 1.04 0.00 0.00 1.03 0.00 0.00 195 A 8.30 4.01 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 D 8.44 4.32 0.00 2.86 2.75 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 0.00 197 A 8.29 4.00 1.39 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 0.00 0.00 0.00 0.00 0.00 198 V 7.99 3.57 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 1.03 0.00 0.00 0.98 0.00 0.00 199 R 7.97 3.94 0.00 2.20 2.12 0.00 3.42 0.00 0.00 3.15 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.51 0.00 200 L 7.47 4.29 0.00 1.74 1.82 0.93 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 201 I 8.10 4.28 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 1.48 0.75 0.94 0.00 0.00 202 A 7.89 4.75 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 203 P 0.00 4.46 0.00 2.21 2.24 0.00 3.83 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 * Residues marked with a * may have inaccurate shift predictions.