NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 G 3.9085 8.3549 109.7365 45.0021 0.0000 173.2238 10 L 4.6366 7.7146 118.5485 50.7023 44.7119 175.0905 11 T 4.3653 9.8011 112.7848 60.8923 72.1518 175.2736 12 D 4.3677 8.5663 121.7496 57.8116 40.8792 178.7982 13 E 3.9725 8.2184 119.0037 59.3216 29.6073 178.6625 14 E 4.0592 7.9818 118.1529 59.6019 29.4523 179.1141 15 Q 4.0663 8.4483 118.5098 59.0395 28.5655 179.1865 16 K 3.9997 8.2278 119.6693 59.8826 32.3450 178.7636 17 T 4.0759 7.9125 115.0602 66.3135 68.6309 175.9980 18 L 4.3854 8.6109 119.7695 55.5044 41.8550 178.2770 19 E 3.9474 7.9115 120.6760 59.2068 29.6320 177.0975 20 P 4.2205 0.0000 0.0000 65.3256 31.3875 178.8908 21 V 3.7660 7.7581 116.7698 66.0678 31.7115 177.9523 22 I 3.8873 8.1117 119.8249 64.5850 36.8055 178.7070 23 K 4.2100 8.2209 117.7960 59.0559 31.8297 178.9309 24 T 3.9893 7.3691 114.6972 64.9552 69.0096 175.1939 25 Y 4.6361 7.8966 115.2440 58.0273 39.9828 176.0368 26 H 5.0334 7.9138 116.2917 55.3829 29.4665 174.4962 27 Q 4.2900 8.0568 118.0311 55.7658 29.2592 175.6691 28 F 4.8534 8.0638 117.1749 55.6150 40.9605 174.9639 29 E 4.3166 8.6880 118.8976 53.3381 29.7956 174.8633 30 P 4.5479 0.0000 0.0000 62.5882 31.6526 175.5086 31 D 4.6874 8.4060 119.6342 52.4095 44.1999 174.2388 32 P 4.3223 0.0000 0.0000 65.4151 31.7529 177.2595 33 T 4.3184 9.4331 108.2685 62.0461 69.3554 173.9338 34 T 5.1578 7.4957 112.0731 60.1251 72.1390 172.7690 35 C 4.9633 9.1952 123.3154 57.8125 33.9720 172.7115 36 T 5.0766 7.8235 115.0524 59.0973 71.4649 172.9021 37 S 4.1731 6.9548 114.6096 57.3096 65.8622 173.3185 38 L 5.0328 8.3521 126.6479 53.3157 44.0477 175.3154 39 I 4.7623 9.2241 127.6972 59.7046 39.9833 174.7715 40 T 5.2158 8.4460 115.1688 60.2452 71.9647 173.2114 41 Q 4.5076 8.8870 123.6516 55.0413 32.8878 173.0648 42 R 4.9149 8.6494 127.2412 55.5033 31.5308 175.2856 43 I 4.5080 9.0219 126.7242 59.4675 40.7116 175.8680 44 H 4.7965 8.5846 126.1972 53.5544 27.3039 173.9583 45 A 4.6747 7.2210 121.4827 50.1707 22.6625 174.8623 46 P 4.5718 0.0000 0.0000 62.2299 32.1797 178.0202 47 A 4.1450 9.3534 123.5337 55.1020 17.9859 180.3178 48 S 4.1946 8.1108 111.3230 60.6747 63.1928 175.6902 49 V 4.0609 7.4527 121.0663 64.5959 32.2671 177.6460 50 V 3.7122 7.6367 117.6205 65.6174 31.5452 177.3917 51 W 4.5284 8.5008 128.7449 60.2773 30.3882 176.0854 52 P 4.0422 0.0000 0.0000 65.7502 30.2685 178.2454 53 L 3.9483 7.4494 117.6929 57.5791 41.5276 179.0133 54 I 3.9631 7.1260 118.3001 63.9688 37.4627 177.9285 55 R 3.6018 7.3310 118.8663 57.8632 30.8006 177.6248 56 R 4.1340 7.3747 119.2089 55.5498 27.9695 176.1268 57 F 4.1786 8.4000 126.5744 60.4483 39.8704 175.7350 58 D 4.3928 7.9977 117.4929 54.1883 40.4919 175.3243 59 N 5.7681 8.0735 118.4075 51.3010 39.1924 173.6747 60 P 4.1328 0.0000 0.0000 65.1019 32.1577 178.4285 61 E 3.8224 8.1692 118.9093 59.4884 29.4875 179.3377 62 R 3.7779 7.6869 116.7063 58.6824 30.1352 176.8080 63 Y 4.7989 7.8279 111.8135 55.8482 39.1246 174.9650 64 K 4.5296 7.0638 119.8295 54.9109 34.5316 175.9756 65 H 4.1835 8.7798 120.6332 56.2200 29.5274 176.3102 66 F 3.9746 8.1701 116.9003 57.9480 36.4782 174.9499 67 V 4.5252 7.1764 120.9148 60.9144 31.5821 175.3334 68 K 4.1270 8.6796 129.3461 58.9446 32.2792 176.7846 69 R 4.7462 7.6060 118.8170 54.9652 34.1121 172.6614 70 C 5.6001 8.6059 121.5502 59.3224 34.5071 172.9217 71 R 4.7130 8.1690 120.4481 54.7114 32.7513 174.0986 72 L 4.5538 8.4885 120.7861 54.8209 42.2360 177.2094 73 I 4.3447 8.3352 115.5808 60.7048 38.8646 175.5592 74 S 4.3732 7.9728 113.9545 58.6962 64.9957 175.4143 75 G 4.1360 9.1289 117.4820 45.6836 0.0000 173.1920 76 D 4.8022 8.6073 115.0878 52.1973 41.5988 171.5829 77 G 3.9933 8.1124 106.3026 46.6153 0.0000 174.0391 78 D 4.6705 7.8012 120.4173 52.0900 43.0794 175.4238 79 V 3.7791 7.9773 119.4589 65.0943 31.5713 175.9202 80 G 4.0528 9.0332 115.8216 45.2223 0.0000 174.1750 81 S 4.4628 7.8557 116.3206 58.9207 64.2171 173.5615 82 V 5.0789 8.8489 123.6276 61.1406 34.0221 174.3291 83 R 5.0454 9.2621 124.7705 54.5104 32.4197 174.4314 84 E 4.9419 8.9649 123.0444 54.7263 31.7360 174.5383 85 V 4.7227 9.3237 127.9155 61.3763 34.8270 174.1536 86 T 4.8623 8.6200 124.6349 62.3088 69.6684 173.6897 87 V 4.8186 8.6083 127.9276 61.3398 33.3253 174.5015 88 I 4.6313 8.4756 122.3301 59.9743 39.1492 175.4959 89 S 4.4966 8.1815 118.2186 57.5728 65.0973 173.5839 90 G 3.6246 8.6127 107.8473 48.3948 0.0000 173.9861 91 L 4.3690 7.4846 119.6186 52.7363 42.7336 174.5816 92 P 4.3662 0.0000 0.0000 62.3718 31.7644 176.3574 93 A 4.4472 8.3990 122.3602 52.3973 18.8291 177.1646 94 S 4.7634 8.5803 115.2077 56.7252 66.9123 172.7445 95 T 4.9154 8.4344 115.5536 60.7577 68.9876 173.6017 96 S 4.9831 9.3167 122.4871 56.6685 66.3041 172.3814 97 T 5.2492 8.5675 116.4394 60.0081 71.3380 172.8120 98 E 5.3356 9.3955 124.1434 54.5867 34.0478 174.4608 99 R 5.1914 9.2915 123.9415 54.3381 33.4201 174.4010 100 L 3.9908 8.5482 128.8021 55.2067 42.0443 176.6431 101 E 4.4706 9.3152 127.4928 58.2111 31.0224 176.9622 102 F 4.9526 7.8738 119.7790 56.9961 43.0466 173.3177 103 V 4.7281 7.4015 124.1800 61.2266 34.9945 174.0195 104 D 4.4495 9.0202 126.6329 52.4000 42.8708 175.7155 105 D 4.5643 8.8070 126.8197 57.2120 41.4493 178.3197 106 D 4.3164 8.1814 118.1996 57.6356 40.9196 177.1376 107 H 4.1460 8.0768 112.4562 55.6044 29.7083 175.1862 108 R 2.0000 7.1256 118.1854 56.4502 26.7181 175.2167 109 V 4.9031 7.4841 117.6999 60.9431 35.6238 174.8407 110 L 5.4882 9.4707 128.8334 53.6914 45.8541 174.9341 111 S 5.9922 10.0774 121.7934 55.8661 66.6743 173.0789 112 F 5.7813 8.6433 117.6088 55.4609 41.9621 173.2532 113 R 5.1310 9.0296 114.7660 54.3683 33.1475 174.4120 114 V 4.2850 8.8129 122.1834 63.5497 31.5278 175.9663 115 V 4.0561 8.8827 121.8336 62.9702 32.6515 177.0571 116 G 3.7822 7.9907 113.0685 45.6653 0.0000 174.2297 *120 R 4.1766 8.5065 124.8153 55.3999 31.6636 172.3712 121 L 4.4021 7.8506 116.4061 54.1262 41.2859 176.2324 122 K 4.5192 8.4145 123.4014 55.7676 33.9257 176.2712 123 N 4.4927 8.7510 115.4662 54.4374 36.2262 174.2742 124 Y 4.5080 7.9412 118.6703 57.7862 40.3173 174.6051 125 K 4.8662 8.3427 124.5873 55.7389 36.7529 174.9299 126 S 4.9678 8.3224 115.0277 57.1166 67.0888 172.7891 127 V 4.9968 8.8102 121.0519 61.5390 34.3625 174.2841 128 T 5.5657 9.4451 124.4830 61.8269 71.9192 173.1333 129 S 5.2544 9.5279 120.4295 56.4764 66.6329 172.9226 130 V 4.8167 8.4911 122.0305 61.2841 33.6424 174.4866 131 N 4.9351 8.9568 124.3764 51.5273 42.2705 173.0426 132 E 4.9872 8.6216 124.4897 54.9902 31.6282 174.6354 133 F 4.7315 8.9616 123.2812 55.6119 44.0250 173.0244 134 L 5.0353 8.6527 123.9318 54.0472 44.6180 175.6851 135 N 5.0100 9.3556 127.6335 52.2995 39.7003 172.8354 136 Q 4.6147 8.7465 124.0455 52.3277 27.9667 171.6948 *138 S 4.3676 8.1241 117.3885 56.4135 64.2353 175.2455 139 G 3.9709 9.0289 107.3689 45.4671 0.0000 173.0458 140 K 4.6378 7.5086 118.5828 55.0698 34.2709 176.5892 141 V 4.7765 8.3286 116.4041 61.1544 33.4642 174.3589 142 Y 5.0157 8.5136 119.6316 56.5674 42.1479 173.4340 143 T 5.2139 9.6123 115.8372 61.7437 72.6591 173.5572 144 V 4.8905 9.4400 125.0778 61.2841 34.2065 174.2893 145 V 4.8134 8.9680 128.9227 61.6308 33.4001 174.2704 146 L 5.2150 8.7803 127.7318 52.9293 44.4007 174.9066 147 E 5.3215 9.4365 125.2487 54.4849 32.4247 174.4408 148 S 5.4249 9.0858 122.2195 56.8120 66.0952 172.7415 149 Y 5.2417 8.3693 119.3243 55.7518 41.9480 173.9963 150 T 5.1051 8.5122 116.1601 62.0519 72.9581 173.4999 151 V 4.7749 8.4914 123.3763 60.3747 35.2599 173.2117 152 D 4.9743 8.6923 123.1105 54.4253 41.5291 176.2294 153 I 4.0767 8.3585 124.6259 60.2562 37.7147 174.5955 154 P 4.3854 0.0000 0.0000 61.8605 31.9832 175.7922 155 E 4.1346 8.6106 121.5677 58.2684 29.6796 176.0007 156 G 4.1662 9.0595 112.5862 46.1274 0.0000 173.8980 157 N 4.6029 7.7912 115.8953 52.9900 39.5194 175.1151 158 T 4.5510 7.9734 110.6096 60.2698 72.1344 175.3888 159 E 3.9426 8.5959 122.6803 59.6439 29.6954 178.8274 160 E 3.9425 8.1320 118.7606 59.4366 29.7583 178.3822 161 D 4.4415 8.3470 118.9924 57.4426 40.8969 178.9188 162 T 3.9839 8.0660 116.4253 66.5192 68.3948 176.6894 163 K 4.2185 8.3991 123.2139 59.1042 32.3387 178.5501 164 M 4.0536 8.1570 118.5650 58.5264 32.2369 177.8586 165 F 4.2519 8.2677 120.7627 61.5629 39.6101 177.3218 166 V 3.1635 8.0085 117.7644 65.8542 31.2587 177.5365 167 D 4.5390 8.4796 118.9669 57.7789 40.6562 179.1516 168 T 3.8454 7.6520 115.6667 66.5368 68.5321 176.9780 169 V 3.5417 7.3308 120.0054 65.9990 31.5602 178.1412 170 V 3.6399 7.7957 117.9724 65.9247 31.3885 177.8378 171 K 4.0088 8.1159 119.3327 59.6291 32.0492 178.7738 172 L 4.0825 8.0825 119.2198 57.7488 41.4349 179.3207 173 N 4.5064 8.3062 116.5640 56.4796 38.4853 177.5232 174 L 4.2267 8.1927 120.3170 57.8067 41.6763 179.6180 175 Q 4.0221 8.3607 118.3126 58.6775 28.6094 178.6175 176 K 3.9797 8.2155 120.8756 59.1763 32.2649 178.3566 177 L 4.0386 8.5426 121.3855 58.3558 41.9386 179.1959 178 G 3.7012 8.2754 105.3909 48.0870 0.0000 175.9655 179 V 3.6743 7.9643 114.7962 63.8562 31.5383 178.5375 180 A 3.9445 8.0995 120.3052 55.3021 18.0856 179.6727 181 A 4.0122 7.9353 118.0556 54.9335 18.5112 179.1978 182 T 4.3212 7.9398 106.9490 62.9186 69.5401 175.7167 183 S 4.5439 8.1230 112.2170 57.1402 64.8861 173.6536 184 A 4.7125 7.7468 123.8100 49.4681 20.6743 174.9826 185 P 4.3592 0.0000 0.0000 62.9055 31.9835 176.7896 186 M 4.2806 8.4200 123.4124 55.9960 32.7965 176.9651 *187 H 4.4275 8.5290 116.1287 54.9463 28.2564 176.4486 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 9 G 8.35 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 L 7.71 4.64 0.00 1.69 1.63 0.94 0.65 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 11 T 9.80 4.37 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 1.17 0.00 0.00 12 D 8.57 4.37 0.00 2.72 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 13 E 8.22 3.97 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.58 0.00 14 E 7.98 4.06 0.00 2.15 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 1.54 2.19 0.00 15 Q 8.45 4.07 0.00 2.22 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.62 0.00 16 K 8.23 4.00 0.00 1.83 1.88 0.00 1.86 0.00 0.00 1.73 0.00 0.00 3.08 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.48 1.65 7.81 17 T 7.91 4.08 4.69 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 1.13 0.00 0.00 18 L 8.61 4.39 0.00 1.80 1.80 1.07 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 19 E 7.91 3.95 0.00 2.14 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 20 P 0.00 4.22 0.00 2.21 2.08 0.00 3.78 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 2.12 2.14 0.00 21 V 7.76 3.77 2.35 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 1.27 0.00 0.00 1.02 0.00 0.00 22 I 8.11 3.89 2.05 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.98 0.97 0.00 0.00 23 K 8.22 4.21 0.00 1.78 1.83 0.00 1.68 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.45 1.48 7.81 24 T 7.37 3.99 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.00 0.00 25 Y 7.90 4.64 0.00 2.80 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 26 H 7.91 5.03 0.00 3.37 3.33 0.00 5.66 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Q 8.06 4.29 0.00 1.99 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.77 0.00 0.00 0.00 0.00 0.00 2.40 2.20 0.00 28 F 8.06 4.85 0.00 3.03 2.90 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 E 8.69 4.32 0.00 2.00 1.81 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 2.16 1.85 0.00 30 P 0.00 4.55 0.00 2.19 2.19 0.00 3.58 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.86 0.00 31 D 8.41 4.69 0.00 2.71 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 4.32 0.00 2.09 2.11 0.00 3.74 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 33 T 9.43 4.32 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 34 T 7.50 5.16 4.36 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 1.24 0.00 0.00 35 C 9.20 4.96 0.00 3.01 2.90 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 36 T 7.82 5.08 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 1.16 0.00 0.00 37 S 6.95 4.17 0.00 3.45 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 38 L 8.35 5.03 0.00 1.56 1.44 0.81 0.97 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 39 I 9.22 4.76 1.98 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 1.45 1.11 0.98 0.00 0.00 40 T 8.45 5.22 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 1.22 0.00 0.00 41 Q 8.89 4.51 0.00 2.20 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.93 0.00 0.00 0.00 0.00 0.00 2.47 2.38 0.00 42 R 8.65 4.91 0.00 1.80 1.72 0.00 2.91 0.00 0.00 2.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.62 0.00 43 I 9.02 4.51 1.92 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 1.25 0.73 0.94 0.00 0.00 44 H 8.58 4.80 0.00 3.18 3.30 0.00 5.73 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 45 A 7.22 4.67 1.24 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 0.00 0.00 46 P 0.00 4.57 0.00 2.22 2.00 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 2.14 2.11 0.00 47 A 9.35 4.14 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 48 S 8.11 4.19 0.00 4.08 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 49 V 7.45 4.06 2.25 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 0.90 0.00 0.00 0.96 0.00 0.00 50 V 7.64 3.71 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 1.00 0.00 0.00 0.97 0.00 0.00 51 W 8.50 4.53 0.00 3.38 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 52 P 0.00 4.04 0.00 2.24 2.24 0.00 3.75 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 2.24 2.18 0.00 53 L 7.45 3.95 0.00 1.63 1.67 0.88 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 54 I 7.13 3.96 1.81 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.07 0.97 0.00 0.00 55 R 7.33 3.60 0.00 0.67 1.16 0.00 3.04 0.00 0.00 2.87 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.42 0.00 56 R 7.37 4.13 0.00 1.95 1.76 0.00 3.17 0.00 0.00 3.05 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.76 0.00 57 F 8.40 4.18 0.00 2.89 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 58 D 8.00 4.39 0.00 2.77 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 59 N 8.07 5.77 0.00 2.68 2.66 0.00 0.00 7.19 7.86 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 60 P 0.00 4.13 0.00 1.88 1.91 0.00 3.66 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.61 0.00 61 E 8.17 3.82 0.00 2.00 1.97 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 2.49 2.29 0.00 62 R 7.69 3.78 0.00 2.01 2.05 0.00 3.14 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 63 Y 7.83 4.80 0.00 3.08 2.93 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 64 K 7.06 4.53 0.00 1.53 1.52 0.00 1.30 0.00 0.00 1.48 0.00 0.00 2.65 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.91 0.29 7.81 65 H 8.78 4.18 0.00 2.78 2.36 0.00 5.72 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 F 8.17 3.97 0.00 3.25 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 67 V 7.18 4.53 1.95 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 0.62 0.00 0.00 0.83 0.00 0.00 68 K 8.68 4.13 0.00 1.82 1.92 0.00 1.79 0.00 0.00 1.61 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.42 1.36 7.81 69 R 7.61 4.75 0.00 1.83 1.64 0.00 3.24 0.00 0.00 3.24 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 70 C 8.61 5.60 0.00 2.83 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 R 8.17 4.71 0.00 1.84 1.91 0.00 3.00 0.00 0.00 3.31 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 72 L 8.49 4.55 0.00 1.67 1.68 0.98 0.94 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 73 I 8.34 4.34 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 1.32 0.66 0.91 0.00 0.00 74 S 7.97 4.37 0.00 3.85 3.71 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 75 G 9.13 4.14 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 0.00 0.00 0.00 76 D 8.61 4.80 0.00 2.65 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 77 G 8.11 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 78 D 7.80 4.67 0.00 2.71 2.58 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 79 V 7.98 3.78 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 0.83 0.00 0.00 0.85 0.00 0.00 80 G 9.03 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 0.00 0.00 0.00 81 S 7.86 4.46 0.00 3.66 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 82 V 8.85 5.08 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 1.14 0.00 0.00 1.00 0.00 0.00 83 R 9.26 5.05 0.00 1.76 1.75 0.00 2.21 0.00 0.00 2.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.26 0.00 84 E 8.96 4.94 0.00 2.03 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 2.20 2.22 0.00 85 V 9.32 4.72 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.77 0.00 0.00 86 T 8.62 4.86 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 1.25 0.00 0.00 87 V 8.61 4.82 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 1.01 0.00 0.00 0.90 0.00 0.00 88 I 8.48 4.63 1.94 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 1.33 0.86 0.93 0.00 0.00 89 S 8.18 4.50 0.00 3.88 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 90 G 8.61 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.48 4.37 0.00 1.65 1.61 0.89 0.97 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 92 P 0.00 4.37 0.00 2.03 1.99 0.00 3.67 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 93 A 8.40 4.45 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 94 S 8.58 4.76 0.00 3.89 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 95 T 8.43 4.92 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 1.21 0.00 0.00 96 S 9.32 4.98 0.00 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1.68 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 2.11 2.44 0.00 133 F 8.96 4.73 0.00 1.51 2.41 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 0.00 134 L 8.65 5.04 0.00 1.59 1.53 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 135 N 9.36 5.01 0.00 2.44 2.68 0.00 0.00 6.76 7.02 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 0.00 136 Q 8.75 4.61 0.00 2.04 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.63 0.00 0.00 0.00 0.00 0.00 2.18 1.88 0.00 *138 S 8.12 4.37 0.00 3.88 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 0.00 139 G 9.03 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 0.00 140 K 7.51 4.64 0.00 1.82 1.80 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.44 7.81 141 V 8.33 4.78 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 0.72 0.00 0.00 0.97 0.00 0.00 142 Y 8.51 5.02 0.00 3.09 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 T 9.61 5.21 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 1.34 0.00 0.00 144 V 9.44 4.89 2.36 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 1.01 0.00 0.00 0.84 0.00 0.00 145 V 8.97 4.81 2.14 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 0.98 0.00 0.00 0.98 0.00 0.00 146 L 8.78 5.21 0.00 1.62 1.41 0.97 0.39 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 0.00 147 E 9.44 5.32 0.00 2.15 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 148 S 9.09 5.42 0.00 3.90 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 0.00 149 Y 8.37 5.24 0.00 2.46 2.93 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 0.00 150 T 8.51 5.11 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 151 V 8.49 4.77 2.22 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 1.01 0.00 0.00 1.11 0.00 0.00 152 D 8.69 4.97 0.00 2.74 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 0.00 153 I 8.36 4.08 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.50 0.93 0.00 0.00 154 P 0.00 4.39 0.00 2.32 1.96 0.00 3.63 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 155 E 8.61 4.13 0.00 1.95 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.27 0.00 156 G 9.06 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 N 7.79 4.60 0.00 2.90 2.76 0.00 0.00 6.97 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 0.00 158 T 7.97 4.55 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 1.21 0.00 0.00 159 E 8.60 3.94 0.00 2.07 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 2.40 2.40 0.00 160 E 8.13 3.94 0.00 2.09 1.95 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 2.40 2.42 0.00 161 D 8.35 4.44 0.00 2.75 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 0.00 162 T 8.07 3.98 4.32 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 1.32 0.00 0.00 163 K 8.40 4.22 0.00 1.99 1.86 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.64 1.40 7.81 164 M 8.16 4.05 0.00 2.33 2.22 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.61 0.00 165 F 8.27 4.25 0.00 3.11 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 0.00 166 V 8.01 3.16 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.17 0.00 0.00 0.96 0.00 0.00 167 D 8.48 4.54 0.00 3.12 2.78 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 0.00 0.00 0.00 168 T 7.65 3.85 4.36 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 1.23 0.00 0.00 169 V 7.33 3.54 1.74 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 0.95 0.00 0.00 0.32 0.00 0.00 170 V 7.80 3.64 2.17 0.00 0.00 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 1.00 0.00 0.00 171 K 8.12 4.01 0.00 2.04 2.04 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.56 7.81 172 L 8.08 4.08 0.00 1.94 1.70 0.94 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 173 N 8.31 4.51 0.00 3.06 3.01 0.00 0.00 6.97 6.02 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 0.00 174 L 8.19 4.23 0.00 1.92 1.78 1.01 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 175 Q 8.36 4.02 0.00 2.29 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.82 0.00 0.00 0.00 0.00 0.00 2.40 2.66 0.00 176 K 8.22 3.98 0.00 1.84 2.14 0.00 1.17 0.00 0.00 1.50 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.40 7.81 177 L 8.54 4.04 0.00 1.67 1.79 0.49 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 178 G 8.28 3.70 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 0.00 0.00 0.00 179 V 7.96 3.67 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 0.86 0.00 0.00 0.98 0.00 0.00 180 A 8.10 3.94 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 0.00 181 A 7.94 4.01 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 0.00 182 T 7.94 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 1.32 0.00 0.00 183 S 8.12 4.54 0.00 3.96 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 0.00 184 A 7.75 4.71 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 0.00 185 P 0.00 4.36 0.00 2.05 2.00 0.00 3.68 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 186 M 8.42 4.28 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.54 0.00 *187 H 8.53 4.43 0.00 2.93 2.83 0.00 7.23 0.00 0.00 0.00 0.00 6.91 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.