NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 5.2194 8.5598 116.4849 58.3069 63.4240 172.6555 1 S 4.5299 8.2030 113.4490 55.6885 66.3744 173.0540 2 T 4.2914 8.4423 112.4868 61.4040 71.8333 176.6648 3 Q 4.0563 8.6324 122.5408 59.2689 28.5526 178.5802 4 S 4.0971 8.1099 115.1163 61.4202 63.0056 175.6403 5 Y 3.7407 7.9864 123.0856 60.3796 38.4801 178.2810 6 K 3.9108 8.0820 118.9583 59.6802 31.9182 179.1229 7 D 4.3007 8.1405 118.1424 57.0787 40.7626 178.4047 8 A 4.0413 7.6306 120.5697 55.2379 18.7978 179.1203 9 M 4.0640 8.0069 117.2689 57.4293 32.1087 178.9240 10 G 3.7858 8.1292 106.4483 47.7191 0.0000 173.8844 11 P 4.2959 0.0000 0.0000 64.9854 31.3133 178.8193 12 L 4.0007 7.7592 117.4454 57.6154 41.5069 179.2288 13 V 3.6086 7.9611 117.4689 66.1470 31.5327 177.8087 14 R 4.1476 8.3499 117.7687 59.5756 29.7357 178.8417 15 E 3.9831 7.8764 116.4906 59.6449 29.2503 178.4455 16 C 4.4945 8.2081 115.7060 58.9692 38.0149 175.6456 17 M 4.1663 7.7779 121.3279 58.6445 31.7179 178.8524 18 G 3.6449 8.0945 105.1707 47.8276 0.0000 175.5554 19 S 4.1737 7.6613 113.9647 60.4363 62.9783 175.4431 20 V 4.2014 7.6885 110.9293 59.9071 32.4016 175.2076 21 S 3.6467 7.6540 113.1964 59.1367 61.9203 172.4448 22 A 4.4253 7.8641 121.7122 52.9192 19.7038 178.4800 23 T 4.4714 8.2484 111.3461 60.4853 72.1475 176.1186 24 E 4.0533 8.5131 119.8019 59.6615 29.3212 179.3071 25 D 4.4648 8.1284 118.5459 57.3965 40.8716 178.3637 26 D 4.3620 8.2472 119.6302 57.0857 40.7006 178.2766 27 F 4.0719 8.2682 121.2815 61.5262 39.3502 177.4957 28 K 3.9295 8.1688 117.5699 59.6242 31.8290 179.4569 29 T 3.8408 8.2135 116.4207 66.6253 68.4029 176.8717 30 V 3.5527 7.8763 120.0254 65.9717 31.4217 177.7850 31 L 3.9341 7.6017 118.9784 58.0040 42.0893 177.8039 32 N 4.6072 8.3027 114.1109 52.4228 38.5387 175.3880 33 R 3.9348 7.7461 118.3280 57.1261 28.3098 176.3384 34 N 4.6598 7.9543 113.6679 51.4743 39.6260 173.6614 35 P 4.1795 0.0000 0.0000 63.6827 31.7521 177.5815 36 L 4.4312 8.0973 123.5262 53.6674 40.3783 176.2291 37 E 4.1039 8.3346 121.9094 58.9560 30.3646 178.7426 38 S 4.4153 7.7704 113.6138 57.8581 65.3450 175.0566 39 R 3.9350 8.5392 123.7934 59.6492 29.8409 178.9480 40 T 3.8518 7.9402 109.1766 64.8294 68.6960 176.1573 41 A 3.9879 8.1072 123.6889 54.8136 18.3784 179.5969 42 Q 3.9586 8.0998 116.6161 59.4722 28.7533 178.5363 43 C 4.3508 8.6134 117.9004 59.5278 40.0733 175.8644 44 L 3.9115 8.1490 122.2542 58.1662 41.7312 178.8353 45 L 3.9610 8.1009 120.0110 58.0476 42.0261 178.5863 46 A 3.9923 8.1560 120.7822 55.3318 18.3904 178.7454 47 C 4.1510 8.4265 116.7189 59.9491 44.8024 175.7971 48 A 3.8912 8.0886 122.2405 55.0002 17.8655 179.6083 49 L 4.0009 8.4546 118.1455 57.6204 41.5173 179.1174 50 D 4.2709 8.1334 118.3433 57.2968 40.9588 178.4397 51 K 4.0033 7.6854 117.9185 59.2609 32.1651 179.1524 52 V 3.8887 7.7293 117.3232 62.4408 31.6357 176.9467 53 G 4.1392 7.6560 108.3753 45.5501 0.0000 174.1776 54 L 4.4220 8.4369 121.9719 55.3873 42.5811 176.0331 55 I 4.5628 7.3938 118.8849 59.4229 39.5017 175.5776 56 S 4.0682 8.0063 119.6678 55.9388 63.8611 173.5257 57 P 4.1806 0.0000 0.0000 65.3164 31.0532 177.4391 58 E 4.2062 8.0859 115.4003 56.1098 29.5671 176.7472 59 G 3.7252 8.1590 106.9124 45.7885 0.0000 173.3455 60 A 4.6722 7.4540 120.8650 49.7876 21.7126 177.2764 61 I 4.1414 7.9601 120.5729 61.0022 37.5367 176.0460 62 Y 4.6637 8.8704 125.1331 58.5149 39.1869 175.3662 63 T 4.6424 8.2525 110.8817 60.0808 73.4842 175.2670 64 G 3.7428 9.1685 111.0745 46.5320 0.0000 176.6098 65 D 4.3874 8.7531 121.0976 57.4575 40.3554 177.8244 66 D 4.2540 7.6892 117.7219 56.5497 40.8957 178.2674 67 L 4.2141 7.9372 119.8966 57.5576 41.5272 179.1486 68 M 4.0702 7.8377 119.0565 57.9634 31.9113 176.9368 69 P 4.2399 0.0000 0.0000 65.3126 31.4489 178.9429 70 V 3.5744 7.6760 116.8050 66.1790 31.6523 177.4360 71 M 4.1737 8.3251 118.2443 58.7528 31.9426 177.6975 72 N 4.3135 8.3888 117.1047 56.7397 38.9779 176.7499 73 R 3.8320 7.7533 118.6406 59.5517 30.2189 178.1431 74 L 3.9038 7.8188 117.5915 57.1388 41.7257 177.4829 75 Y 4.7977 7.1349 111.4705 54.7577 40.7039 176.7502 76 G 4.0037 8.3358 110.9836 45.8771 0.0000 174.3521 *77 F 4.8898 8.4944 117.9053 56.6442 39.4325 171.3198 78 N 4.6648 8.4413 120.2668 54.6881 39.6892 175.2254 79 D 4.7208 7.8406 117.8601 52.4284 42.1194 175.9205 80 F 4.1387 8.8791 129.7292 61.7057 39.4265 177.0564 81 K 3.7208 8.1148 117.2572 59.5313 31.5989 179.4680 82 T 3.5956 7.5629 114.8271 66.5085 68.7227 176.7912 83 V 3.6408 7.6634 120.1205 66.2534 31.6303 177.9937 84 M 3.8855 7.8387 118.3934 57.8239 31.5763 178.5095 85 K 3.8692 7.6306 119.0956 58.8280 32.1660 178.3696 86 A 3.9899 7.7381 121.1491 54.6622 18.0652 179.5807 87 K 3.8295 7.8612 117.8303 59.7445 32.2871 178.9047 88 A 3.9767 7.8735 120.5917 54.9087 18.2349 179.4380 89 V 3.5543 7.9709 116.9706 66.2981 31.6326 177.5714 90 N 4.3289 8.4445 116.8821 57.1349 38.7660 176.4992 91 D 4.4287 8.3493 120.0890 57.5122 40.8551 178.1987 92 C 4.3819 8.7171 117.3059 59.8335 40.5746 175.7901 93 A 4.0940 8.5305 122.6441 55.5402 17.7568 179.5023 94 N 4.3137 8.0685 113.6856 56.4133 38.6430 177.2046 95 Q 4.1342 8.0413 120.2818 59.0791 29.5084 178.0146 96 V 4.2033 8.1446 112.8541 62.1742 32.0737 176.3622 97 N 4.6128 7.8777 116.8512 54.6535 38.7383 175.3694 98 G 3.9266 9.1534 111.2354 45.1753 0.0000 173.7298 99 A 4.2165 7.7009 120.4623 52.6774 18.5092 177.0688 100 Y 4.6552 7.3108 112.7890 55.1110 39.0911 173.5812 101 P 4.4802 0.0000 0.0000 65.1233 32.1071 177.4281 102 D 4.5779 7.6837 116.7589 53.6018 42.4591 177.3191 103 R 3.9742 8.6141 123.9462 59.4649 29.4980 179.7634 104 C 4.3008 8.2324 116.9385 59.9787 41.4378 175.4944 105 D 4.1960 8.4862 120.5029 57.0984 40.3591 178.4053 106 L 3.9382 8.2708 121.2241 58.5470 42.0135 179.3091 107 I 3.9574 7.9564 119.5504 63.8557 36.9944 178.3083 108 K 3.8654 8.2016 120.8630 59.7665 31.9954 178.6913 109 N 4.2287 8.0020 116.6557 55.8606 38.2694 177.0789 110 F 4.1906 8.5863 122.8856 61.7146 39.5087 177.3679 111 T 3.5308 8.2692 109.5363 64.7108 68.5064 176.0590 112 D 4.2511 8.0269 121.7458 57.2497 40.7454 177.9231 113 C 4.1849 8.2213 119.0231 59.7146 43.3649 175.8503 114 V 3.3154 7.3897 119.0137 65.8130 31.1111 177.7503 115 R 3.9303 7.6695 117.6895 59.2560 29.9864 177.8533 116 N 4.5648 7.9098 115.1962 54.2454 38.8254 175.6155 117 S 4.3377 7.0700 117.5057 57.6965 63.5374 173.5975 118 Y 4.3754 8.7284 125.2439 58.0578 38.4285 175.6331 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 0 S 8.56 5.22 0.00 3.65 3.61 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 0.00 0.00 0.00 0.00 1 S 8.20 4.53 0.00 3.79 3.58 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 2 T 8.44 4.29 4.37 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 1.33 0.00 0.00 3 Q 8.63 4.06 0.00 2.22 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.94 0.00 0.00 0.00 0.00 0.00 2.45 2.66 0.00 4 S 8.11 4.10 0.00 4.10 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 5 Y 7.99 3.74 0.00 2.97 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 6 K 8.08 3.91 0.00 2.06 1.86 0.00 1.76 0.00 0.00 1.68 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.71 1.81 7.81 7 D 8.14 4.30 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 8 A 7.63 4.04 1.19 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 9 M 8.01 4.06 0.00 1.66 1.60 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.94 0.00 10 G 8.13 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 11 P 0.00 4.30 0.00 2.15 2.11 0.00 3.67 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 2.09 2.18 0.00 12 L 7.76 4.00 0.00 1.76 1.68 0.88 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.96 3.61 2.26 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 0.94 0.00 0.00 0.93 0.00 0.00 14 R 8.35 4.15 0.00 2.12 1.97 0.00 3.21 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 2.09 0.00 15 E 7.88 3.98 0.00 2.17 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 2.35 2.56 0.00 16 C 8.21 4.49 0.00 3.19 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 17 M 7.78 4.17 0.00 2.02 2.15 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 3.08 0.00 18 G 8.09 3.64 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 0.00 0.00 0.00 19 S 7.66 4.17 0.00 4.03 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 20 V 7.69 4.20 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 0.82 0.00 0.00 1.08 0.00 0.00 21 S 7.65 3.65 0.00 4.16 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 22 A 7.86 4.43 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 23 T 8.25 4.47 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 1.23 0.00 0.00 24 E 8.51 4.05 0.00 2.03 2.05 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 2.41 2.34 0.00 25 D 8.13 4.46 0.00 2.71 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 26 D 8.25 4.36 0.00 2.99 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 27 F 8.27 4.07 0.00 3.11 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.17 3.93 0.00 2.10 1.87 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.60 1.69 7.81 29 T 8.21 3.84 4.40 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 1.22 0.00 0.00 30 V 7.88 3.55 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 0.99 0.00 0.00 0.99 0.00 0.00 31 L 7.60 3.93 0.00 1.07 1.42 0.72 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 32 N 8.30 4.61 0.00 2.84 2.79 0.00 0.00 7.03 7.28 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 33 R 7.75 3.93 0.00 1.73 1.79 0.00 2.68 0.00 0.00 2.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.76 0.00 34 N 7.95 4.66 0.00 2.81 2.72 0.00 0.00 6.82 7.62 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 35 P 0.00 4.18 0.00 2.12 1.99 0.00 3.64 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.10 0.00 36 L 8.10 4.43 0.00 1.62 1.62 0.94 1.00 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 37 E 8.33 4.10 0.00 1.95 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 0.00 2.42 2.23 0.00 38 S 7.77 4.42 0.00 4.05 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 39 R 8.54 3.93 0.00 1.90 1.97 0.00 3.19 0.00 0.00 3.40 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 40 T 7.94 3.85 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 1.26 0.00 0.00 41 A 8.11 3.99 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 42 Q 8.10 3.96 0.00 2.31 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.60 0.00 43 C 8.61 4.35 0.00 2.95 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 44 L 8.15 3.91 0.00 1.89 1.88 1.02 0.62 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 45 L 8.10 3.96 0.00 1.84 1.68 1.03 1.21 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 46 A 8.16 3.99 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 47 C 8.43 4.15 0.00 3.06 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 A 8.09 3.89 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 49 L 8.45 4.00 0.00 1.65 1.71 1.01 0.92 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 50 D 8.13 4.27 0.00 2.89 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 K 7.69 4.00 0.00 1.97 1.85 0.00 1.75 0.00 0.00 1.87 0.00 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.60 7.81 52 V 7.73 3.89 2.12 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 0.77 0.00 0.00 0.85 0.00 0.00 53 G 7.66 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 54 L 8.44 4.42 0.00 1.76 1.75 0.97 0.85 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 55 I 7.39 4.56 1.94 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 1.51 0.98 0.81 0.00 0.00 56 S 8.01 4.07 0.00 3.71 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 57 P 0.00 4.18 0.00 2.06 2.16 0.00 3.66 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 58 E 8.09 4.21 0.00 1.88 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 0.00 2.27 2.34 0.00 59 G 8.16 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 A 7.45 4.67 1.15 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 0.00 0.00 61 I 7.96 4.14 1.67 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.35 0.50 0.00 0.00 62 Y 8.87 4.66 0.00 2.94 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 T 8.25 4.64 4.47 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 1.26 0.00 0.00 64 G 9.17 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 0.00 0.00 0.00 65 D 8.75 4.39 0.00 2.66 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 66 D 7.69 4.25 0.00 2.64 1.87 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 67 L 7.94 4.21 0.00 1.91 1.76 1.04 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 68 M 7.84 4.07 0.00 2.05 2.19 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.72 0.00 69 P 0.00 4.24 0.00 2.12 2.07 0.00 3.59 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 2.02 2.09 0.00 70 V 7.68 3.57 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 1.09 0.00 0.00 1.00 0.00 0.00 71 M 8.33 4.17 0.00 2.30 2.15 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.65 0.00 72 N 8.39 4.31 0.00 2.89 2.96 0.00 0.00 6.85 7.17 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 73 R 7.75 3.83 0.00 1.98 1.88 0.00 3.24 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 74 L 7.82 3.90 0.00 1.26 0.66 1.05 0.33 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 75 Y 7.13 4.80 0.00 3.11 2.92 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 76 G 8.34 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 0.00 0.00 0.00 *77 F 8.49 4.89 0.00 2.25 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 0.00 0.00 0.00 78 N 8.44 4.66 0.00 2.74 2.92 0.00 0.00 6.99 8.06 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 79 D 7.84 4.72 0.00 2.73 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 F 8.88 4.14 0.00 3.14 3.06 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 0.00 0.00 0.00 81 K 8.11 3.72 0.00 1.93 1.72 0.00 1.75 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.58 1.66 7.81 82 T 7.56 3.60 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 0.48 0.00 0.00 83 V 7.66 3.64 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 0.98 0.00 0.00 0.98 0.00 0.00 84 M 7.84 3.89 0.00 1.72 1.74 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.27 0.00 85 K 7.63 3.87 0.00 1.78 1.80 0.00 1.40 0.00 0.00 1.47 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.26 1.37 7.81 86 A 7.74 3.99 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 87 K 7.86 3.83 0.00 1.79 1.77 0.00 1.64 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.59 7.81 88 A 7.87 3.98 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 89 V 7.97 3.55 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 1.34 0.00 0.00 0.96 0.00 0.00 90 N 8.44 4.33 0.00 2.98 3.01 0.00 0.00 7.32 9.24 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 91 D 8.35 4.43 0.00 2.91 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 C 8.72 4.38 0.00 3.21 3.17 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 93 A 8.53 4.09 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 94 N 8.07 4.31 0.00 2.94 2.93 0.00 0.00 7.04 7.82 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 95 Q 8.04 4.13 0.00 2.19 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.92 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 96 V 8.14 4.20 2.32 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 0.94 0.00 0.00 1.20 0.00 0.00 97 N 7.88 4.61 0.00 2.79 2.77 0.00 0.00 7.21 8.44 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 98 G 9.15 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 99 A 7.70 4.22 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 Y 7.31 4.66 0.00 3.09 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 0.00 101 P 0.00 4.48 0.00 2.05 2.12 0.00 3.68 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 102 D 7.68 4.58 0.00 2.72 2.74 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 0.00 103 R 8.61 3.97 0.00 2.05 2.16 0.00 3.01 0.00 0.00 3.32 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 104 C 8.23 4.30 0.00 3.11 3.17 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 0.00 105 D 8.49 4.20 0.00 2.99 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 0.00 106 L 8.27 3.94 0.00 2.08 1.87 1.08 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 107 I 7.96 3.96 1.95 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.83 1.00 0.00 0.00 108 K 8.20 3.87 0.00 1.89 1.88 0.00 1.47 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.43 7.81 109 N 8.00 4.23 0.00 2.17 2.58 0.00 0.00 6.72 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 F 8.59 4.19 0.00 3.10 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.27 3.53 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 1.33 0.00 0.00 112 D 8.03 4.25 0.00 2.84 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 0.00 113 C 8.22 4.18 0.00 3.03 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 0.00 114 V 7.39 3.32 1.77 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 0.65 0.00 0.00 0.20 0.00 0.00 115 R 7.67 3.93 0.00 1.89 2.01 0.00 3.26 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 116 N 7.91 4.56 0.00 2.86 2.85 0.00 0.00 7.08 7.67 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 0.00 117 S 7.07 4.34 0.00 3.90 3.78 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 0.00 118 Y 8.73 4.38 0.00 2.82 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 * Residues marked with a * may have inaccurate shift predictions.