NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.3870 8.1133 121.1243 56.2226 31.8788 173.8751 3 I 4.8271 8.3748 125.9280 59.3677 40.6876 173.3020 4 T 4.4536 9.3545 124.3227 61.6616 71.1451 173.0252 5 L 4.6669 8.4664 129.9955 54.0323 42.7814 176.3090 6 V 3.8718 8.9668 128.5446 62.5254 32.0049 174.9966 7 D 4.8204 8.6447 128.3733 52.9524 42.2235 174.6838 8 H 4.6913 8.4639 125.6849 52.9890 33.1369 172.0501 9 P 4.2548 0.0000 0.0000 66.5554 30.7086 178.6336 10 L 4.0147 8.1117 117.8474 57.2456 41.4826 179.5201 11 V 3.5916 7.9080 118.4987 65.9324 31.5322 178.0823 12 Q 3.9546 8.0180 117.2711 59.2489 28.5415 177.7638 13 H 4.0388 8.3538 119.2211 59.6804 29.8114 177.3273 14 K 4.0161 8.2610 119.8732 59.3091 31.8048 179.1628 15 L 3.8779 8.3357 120.8773 57.9154 42.0670 178.8888 16 A 3.9386 7.9576 120.8788 55.5311 18.0901 179.3657 17 H 4.2053 7.6174 113.6486 58.5730 28.7987 177.7982 18 L 4.0654 7.7670 120.6186 57.6908 41.5100 179.2829 19 R 4.2538 7.9839 117.1686 57.9827 30.3535 176.8184 20 D 4.3511 7.7156 119.0258 54.3814 41.2903 177.3969 21 K 4.1278 8.6926 126.1402 59.5502 32.7325 178.2094 22 R 4.0255 8.3695 117.9313 58.0235 30.1450 176.6430 23 T 4.1444 7.8399 116.0602 62.7127 68.3838 175.5350 24 G 3.9116 8.4924 113.6848 43.1321 0.0000 171.6065 25 P 4.9542 0.0000 0.0000 64.8164 31.2086 178.7286 26 K 3.9308 8.0511 117.4069 59.9294 32.1894 178.4474 27 D 4.3989 8.0819 118.5514 57.0977 40.7186 178.4255 28 F 3.9505 8.5571 121.5724 61.2137 39.4631 177.1916 29 R 3.9097 8.5121 118.7325 59.4677 29.8400 178.3818 30 E 3.9445 8.1835 118.3799 59.3545 29.4030 179.2616 31 L 4.0413 8.2496 119.2076 57.8279 41.6991 179.4775 32 A 3.8246 7.9387 120.7529 55.0345 18.0031 179.6079 33 E 3.9004 7.7443 116.1889 59.5807 29.6374 179.0784 34 E 4.0719 8.0562 117.5110 59.2869 29.5903 179.2269 35 V 3.7366 7.8395 117.2477 65.8423 31.6287 178.8119 36 A 4.0404 7.5328 116.3786 52.6953 18.4740 177.5736 *38 L 3.9656 7.8132 118.2162 56.1190 41.8849 178.8255 *40 A 4.1976 7.8974 123.7320 52.3600 20.5514 179.2753 41 Y 3.9327 7.8385 116.5603 60.9127 39.0140 177.3164 42 E 4.1653 8.5064 118.3035 59.3122 29.8696 178.8840 43 A 4.2687 7.2415 119.1362 52.4262 17.4832 178.2537 *45 R 4.1324 8.0132 120.9152 57.3788 31.6987 175.4343 46 D 4.8878 7.9336 115.4876 53.0432 39.7673 176.1198 47 L 4.1726 7.7157 119.7486 55.1502 42.5919 176.4565 48 E 4.2690 8.6473 124.0573 56.1672 31.0106 175.1954 49 L 5.5330 8.3603 124.4487 53.1102 45.7144 175.1874 50 E 4.7804 8.7632 116.6476 55.1041 33.0451 174.6538 51 E 4.7511 8.7505 121.3966 57.2072 30.9420 175.6412 52 T 4.5066 8.5948 116.2555 62.1027 71.5271 171.7626 53 T 5.2371 8.3335 117.4393 62.1141 72.5199 173.9604 54 V 4.5952 8.6869 116.2606 59.9883 36.9323 173.8227 55 E 4.7650 8.6519 121.4224 55.4462 30.2542 176.5918 56 T 4.4283 8.6097 121.7071 61.6155 70.0080 173.8623 57 P 4.5718 0.0000 0.0000 64.1173 31.6691 176.8285 58 I 4.1284 6.9734 118.3944 62.4533 38.8652 175.1177 59 A 4.2865 7.0987 120.3489 50.7700 21.3188 173.2038 60 P 4.9713 0.0000 0.0000 63.0240 32.3889 176.4348 61 A 4.6769 8.8341 123.0205 50.6450 22.9132 175.4374 62 R 4.6968 8.6230 121.5409 55.6898 31.3690 176.2249 63 V 4.6391 9.0513 116.6396 59.7716 36.8410 174.0829 64 K 5.1222 8.5504 119.2826 55.0879 35.3381 176.5471 65 V 4.6214 8.5066 116.0483 59.0019 36.2242 175.1027 66 L 4.7166 8.6007 122.1404 55.2777 42.0800 176.8264 67 S 4.6871 8.5493 116.4072 57.5960 65.7847 174.5614 68 G 3.8842 8.7135 107.7773 44.6218 0.0000 173.1156 69 K 4.2689 8.0664 117.6254 55.5178 32.6916 177.3756 70 K 4.2731 8.3537 120.2735 56.4398 32.5840 177.2669 71 L 4.4730 8.7020 123.5894 55.9704 42.3128 175.2197 72 A 5.2283 9.0335 122.1983 50.2850 21.7987 175.4027 73 L 5.1419 9.1353 123.0894 52.9526 44.4242 175.6844 74 V 4.8660 8.9796 124.5194 61.0772 33.9775 174.0871 75 A 5.0980 8.8240 130.0703 50.7136 21.5482 175.5903 76 I 4.7039 8.2801 122.1766 59.7189 38.3324 175.6789 77 L 4.4535 8.8181 127.9983 55.1854 42.4343 178.4423 78 R 4.3909 8.8584 120.4665 58.3484 30.9728 178.8117 79 A 4.1725 8.3336 120.2363 55.2632 17.9566 179.7120 80 G 3.6053 8.2433 103.4769 47.5413 0.0000 175.4467 81 L 4.3319 8.2434 121.8515 57.6854 41.6872 181.0072 82 V 3.9345 7.2948 115.6943 62.0457 30.8513 178.1448 *84 V 3.9921 7.9599 121.7869 63.8836 33.0476 177.2079 85 E 4.0894 8.4623 118.3000 59.2554 29.4788 179.3703 86 G 3.7146 8.0580 105.6638 48.0297 0.0000 175.9658 87 I 3.7518 7.7027 122.2156 63.7914 35.6810 178.3152 88 L 4.1645 8.1783 119.7962 57.2916 41.1471 179.3337 89 K 4.0961 7.8251 117.5572 58.3083 31.9763 178.3519 90 L 4.4999 7.7275 118.5037 55.1772 44.0049 177.3064 91 V 4.4409 6.9437 111.6730 58.4663 31.6143 174.4397 92 P 4.3595 0.0000 0.0000 65.1231 31.6870 177.8357 93 H 4.5735 8.0327 114.1573 55.6418 29.1707 175.0410 94 A 4.3137 7.6225 122.3285 52.2186 19.0059 177.8099 95 R 4.3631 8.9689 120.4022 55.6075 31.9821 175.6942 96 V 4.8736 8.4186 121.8819 61.1234 33.8813 174.8333 97 G 4.3820 9.2965 114.2802 44.7543 0.0000 171.3855 98 H 5.5470 9.3452 117.5263 53.8531 33.1784 172.6650 99 I 4.8062 9.0594 123.8172 59.4241 40.2970 174.9836 100 G 3.2988 9.7901 116.7150 44.9749 0.0000 172.2663 101 L 5.9656 8.1999 122.5773 52.5351 46.1520 175.5809 102 Y 5.0034 8.2130 120.1114 55.1247 41.6718 174.1638 103 R 4.6207 8.8029 122.9343 55.5614 31.1391 175.3435 104 D 4.6328 9.2821 127.8683 53.9892 41.5559 175.4557 105 P 4.2724 0.0000 0.0000 65.9015 31.1660 177.2373 106 E 4.2097 8.6093 118.9902 58.8203 29.8483 178.2502 107 S 4.1800 8.0768 114.4263 59.3770 63.6866 174.9272 108 L 3.8504 8.1360 119.3481 55.4138 39.4710 173.4965 109 N 5.1612 7.6091 116.0217 50.7077 41.1977 172.7953 110 P 4.7568 0.0000 0.0000 62.8412 32.7645 175.5880 111 V 4.1815 8.1738 122.0102 61.0780 33.8136 174.0756 112 Q 4.9125 8.6270 129.5520 55.6190 29.8906 174.7337 113 Y 5.0015 8.4081 120.9088 56.1635 40.0134 174.2185 114 Y 4.5454 7.3556 120.3084 57.7433 41.9689 171.6811 115 I 4.5894 7.1185 124.0991 59.8424 41.4115 173.7169 116 K 4.4403 8.8952 129.7186 55.4624 35.7288 174.6982 117 L 5.1032 8.3511 126.2693 51.9546 45.3962 174.5640 118 P 4.4593 0.0000 0.0000 61.7517 31.8955 174.7004 119 P 4.4994 0.0000 0.0000 62.9529 32.3362 174.9827 120 D 4.4064 8.6387 114.7944 54.9674 38.6165 176.2326 121 I 3.5907 7.9838 120.2463 64.1925 38.1001 177.2675 122 A 4.2755 7.8687 120.5113 53.6960 18.3322 177.4442 123 E 4.5703 8.2406 114.3846 55.9813 29.8636 175.7569 124 R 4.8166 7.5724 117.4217 54.0259 33.9235 175.5845 125 R 4.1261 8.6468 120.8071 56.2452 31.4715 175.2960 126 A 5.2345 8.3744 125.3463 50.2134 22.2427 175.1855 127 F 5.0859 9.0679 119.0886 55.6780 42.8887 173.5477 128 L 5.0184 9.0477 126.7011 53.5255 44.0283 174.8909 129 L 4.8841 8.6194 126.4165 53.0827 44.9193 175.2222 130 D 4.4553 8.6255 118.2256 52.7050 44.1771 173.9424 131 P 4.2106 0.0000 0.0000 63.9593 33.3819 175.8413 *133 L 4.1328 8.0189 121.7672 54.9671 42.3087 176.3074 134 A 4.2570 8.0675 130.5141 53.4275 18.4737 178.7614 135 T 4.0208 8.3733 111.1971 61.3495 70.5230 177.5434 136 G 4.0133 8.3471 109.9693 45.2840 0.0000 175.1953 137 G 3.5940 8.2935 107.7549 47.7384 0.0000 176.2889 138 S 4.0853 7.9799 116.3641 61.1310 63.3155 176.1964 139 A 3.9626 7.9460 124.2972 54.6395 18.1412 179.3986 140 S 4.0659 8.2638 111.7737 61.3845 62.4486 176.0521 141 L 3.9251 7.8955 122.7821 58.1050 41.7924 178.7727 142 A 3.9344 8.1284 120.6649 55.2988 18.3351 179.5915 143 L 3.8424 8.3338 117.7740 57.8857 41.4737 180.1311 144 S 4.1052 8.0269 115.1159 61.5800 62.5749 176.4524 145 L 4.1185 8.0068 121.7649 57.9767 41.3993 179.7878 146 L 4.0397 8.0406 118.7638 57.4403 41.4875 179.3095 147 K 3.8535 8.1129 119.8612 59.5039 32.0289 178.6297 148 E 3.9468 8.3151 115.4770 58.5432 29.4862 177.5904 149 R 4.3070 7.2380 117.5930 55.9395 30.2087 177.0677 150 G 3.9455 8.3694 107.8121 44.8789 0.0000 174.1054 151 A 4.1209 7.4618 122.5975 52.5448 18.9554 176.8915 152 T 4.5195 8.0364 108.9283 61.3601 71.4314 173.2158 153 G 3.8169 8.6379 108.6680 46.5087 0.0000 174.0145 154 V 3.7420 7.6054 119.4343 62.4416 33.0018 174.5323 155 K 4.7763 8.2701 126.9626 54.8086 34.4886 176.0499 156 L 4.9728 9.0032 128.4511 53.0860 44.9329 174.7671 *158 A 4.6737 8.1653 119.2308 52.3561 19.7838 177.9780 159 I 3.8972 8.6014 120.9336 63.4389 38.4679 176.3267 160 L 5.2921 7.8583 118.8462 52.8563 45.3160 176.0918 161 A 5.0141 8.7877 122.7148 50.2934 23.0648 174.7111 162 A 4.8176 8.7307 122.4968 49.8999 21.1192 176.4572 163 P 4.1426 0.0000 0.0000 65.9719 31.3949 178.6012 164 E 4.1870 8.2928 117.4197 59.3647 29.6655 179.0642 165 G 3.7730 8.0997 107.0414 46.8204 0.0000 175.6672 166 L 4.0419 7.8788 121.0549 57.6661 41.7092 179.3497 167 E 3.9973 8.3961 118.5646 59.2778 29.2673 179.3822 168 R 3.9004 7.9626 118.8705 59.4778 30.0497 178.7499 169 I 3.7359 7.7624 119.0813 64.2693 36.9093 178.1789 170 A 3.7447 7.8887 120.6507 54.9877 18.1967 179.4322 171 K 3.9979 7.8542 117.2916 59.9384 32.4865 178.6358 172 D 4.4728 8.1477 118.3459 56.4541 42.4518 176.9013 173 H 4.9230 8.9855 116.7932 52.8506 29.4980 171.9559 174 P 4.2684 0.0000 0.0000 65.8273 31.4568 178.3699 175 D 4.5020 7.9656 116.6305 56.2201 41.1552 176.6313 176 T 4.2211 7.7712 116.4494 63.4648 69.3509 173.4026 177 E 4.7487 8.7372 125.9971 54.4564 32.3805 174.5207 178 V 4.7914 8.6576 126.9275 61.2428 33.7630 174.1387 179 V 4.8441 8.8034 128.8527 61.5410 32.9543 175.2683 180 V 5.4904 9.0052 119.3137 59.3707 35.9323 175.6421 181 A 4.6455 8.4190 123.2098 53.6803 19.9671 177.4561 182 A 4.5178 7.6305 114.2676 51.2218 22.6800 175.2074 183 I 4.7747 8.3792 120.8880 59.9722 39.3579 175.5568 184 D 4.7818 8.7674 128.4651 53.3098 42.9314 176.2841 185 E 4.0517 8.7172 118.6097 58.7602 29.8039 177.1565 186 R 4.4775 7.1231 111.8162 56.2221 32.7316 172.3786 187 L 5.3323 8.7152 118.0680 53.5988 44.6195 176.2734 188 N 4.9157 8.8750 120.1318 51.2487 39.7518 175.2536 189 D 4.2959 8.8435 117.4694 56.7046 39.0732 176.9931 190 H 4.7255 8.4642 113.9760 55.5810 29.0564 175.5742 191 G 3.8949 8.6059 108.0513 45.6481 0.0000 172.8744 192 Y 4.4361 8.4776 117.3102 56.0786 39.9672 175.3211 193 I 4.3951 8.3721 123.6501 61.3962 38.9258 174.8999 194 V 4.5674 8.8029 126.5151 60.6620 33.4000 174.9086 195 P 4.3707 0.0000 0.0000 63.3185 32.5108 178.9358 196 G 3.7161 8.5619 107.8142 45.2408 0.0000 174.8848 197 L 4.4911 8.7436 122.5203 56.6018 42.7980 176.6011 198 G 3.7812 8.4443 104.6926 45.4559 0.0000 174.7915 199 D 4.8053 8.5583 121.9633 52.8406 41.5757 176.9596 200 A 4.1127 8.7415 129.1656 55.4854 18.3720 178.7508 201 G 3.7963 8.2118 102.7434 48.4343 0.0000 175.2076 202 D 4.8385 8.3218 123.0199 56.4253 40.8796 178.9137 203 R 3.7891 7.9575 117.7098 57.8434 29.7104 178.8498 204 I 3.8442 7.0733 119.3571 63.5168 37.6018 176.8044 205 Y 4.8146 7.6040 113.6635 56.5048 39.2823 175.4055 206 G 3.7638 8.0681 107.8743 47.1708 0.0000 171.9530 207 T 4.7644 7.2309 108.0342 59.8761 72.4306 174.7522 208 K 4.2339 8.2370 119.5250 57.1349 33.1195 176.1008 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 2 R 8.11 4.39 0.00 1.91 1.86 0.00 3.08 0.00 0.00 3.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 3 I 8.37 4.83 1.88 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 1.35 0.91 0.97 0.00 0.00 4 T 9.35 4.45 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 1.24 0.00 0.00 5 L 8.47 4.67 0.00 1.65 1.60 0.98 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 6 V 8.97 3.87 2.10 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 0.78 0.00 0.00 0.97 0.00 0.00 7 D 8.64 4.82 0.00 2.63 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 8 H 8.46 4.69 0.00 3.12 3.04 0.00 5.75 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 P 0.00 4.25 0.00 2.26 2.27 0.00 3.24 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 1.89 1.94 0.00 10 L 8.11 4.01 0.00 1.71 1.75 0.89 0.84 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 11 V 7.91 3.59 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 1.12 0.00 0.00 0.92 0.00 0.00 12 Q 8.02 3.95 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.61 0.00 0.00 0.00 0.00 0.00 2.46 2.61 0.00 13 H 8.35 4.04 0.00 3.33 3.53 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.26 4.02 0.00 1.84 1.81 0.00 1.70 0.00 0.00 1.54 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.67 7.81 15 L 8.34 3.88 0.00 1.86 1.83 0.90 1.02 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 16 A 7.96 3.94 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 17 H 7.62 4.21 0.00 3.20 3.35 0.00 5.66 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 L 7.77 4.07 0.00 1.69 1.56 0.69 -0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 19 R 7.98 4.25 0.00 1.94 2.02 0.00 3.19 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 1.88 1.86 0.00 20 D 7.72 4.35 0.00 2.85 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 21 K 8.69 4.13 0.00 1.89 1.94 0.00 1.62 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.47 7.81 22 R 8.37 4.03 0.00 1.94 2.04 0.00 3.17 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 1.67 1.68 0.00 23 T 7.84 4.14 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 24 G 8.49 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 25 P 0.00 4.95 0.00 2.18 2.14 0.00 3.89 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 2.11 1.97 0.00 26 K 8.05 3.93 0.00 1.85 1.83 0.00 1.74 0.00 0.00 1.83 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.56 7.81 27 D 8.08 4.40 0.00 2.77 2.72 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 28 F 8.56 3.95 0.00 3.19 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 29 R 8.51 3.91 0.00 2.02 2.10 0.00 3.25 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 1.64 1.62 0.00 30 E 8.18 3.94 0.00 2.19 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 0.00 2.33 2.60 0.00 31 L 8.25 4.04 0.00 1.63 1.54 0.91 0.81 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 32 A 7.94 3.82 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 33 E 7.74 3.90 0.00 2.17 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 2.54 2.49 0.00 34 E 8.06 4.07 0.00 2.05 1.98 0.00 0.00 0.00 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 2.29 0.00 35 V 7.84 3.74 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 0.78 0.00 0.00 0.92 0.00 0.00 36 A 7.53 4.04 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0.00 0.00 0.00 2.24 2.32 0.00 56 T 8.61 4.43 4.49 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 1.23 0.00 0.00 57 P 0.00 4.57 0.00 2.17 2.16 0.00 3.73 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 1.98 1.98 0.00 58 I 6.97 4.13 1.87 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 1.23 0.91 0.91 0.00 0.00 59 A 7.10 4.29 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 60 P 0.00 4.97 0.00 1.95 1.99 0.00 3.66 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 2.02 2.09 0.00 61 A 8.83 4.68 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 62 R 8.62 4.70 0.00 1.71 1.88 0.00 3.32 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 63 V 9.05 4.64 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 0.82 0.00 0.00 0.98 0.00 0.00 64 K 8.55 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0.00 0.00 115 I 7.12 4.59 1.73 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 1.10 0.66 0.73 0.00 0.00 116 K 8.90 4.44 0.00 1.75 1.73 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.28 1.71 7.81 117 L 8.35 5.10 0.00 1.60 1.50 0.89 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 118 P 0.00 4.46 0.00 2.05 2.00 0.00 3.68 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 2.04 2.08 0.00 119 P 0.00 4.50 0.00 2.18 2.06 0.00 3.93 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 1.99 0.00 120 D 8.64 4.41 0.00 2.87 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 0.00 121 I 7.98 3.59 1.86 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 1.33 1.20 0.91 0.00 0.00 122 A 7.87 4.28 1.33 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 0.00 123 E 8.24 4.57 0.00 2.04 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 2.26 2.25 0.00 124 R 7.57 4.82 0.00 1.69 1.90 0.00 3.18 0.00 0.00 3.38 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 125 R 8.65 4.13 0.00 1.89 1.92 0.00 3.20 0.00 0.00 3.32 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.64 0.00 126 A 8.37 5.23 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 0.00 127 F 9.07 5.09 0.00 2.98 2.95 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 0.00 128 L 9.05 5.02 0.00 1.74 1.53 0.99 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 129 L 8.62 4.88 0.00 1.60 1.56 0.94 0.72 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 0.00 130 D 8.63 4.46 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 0.00 131 P 0.00 4.21 0.00 2.18 2.12 0.00 3.73 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 2.27 2.15 0.00 *133 L 8.02 4.13 0.00 1.76 1.64 0.93 0.95 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 0.00 134 A 8.07 4.26 1.16 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 0.00 0.00 135 T 8.37 4.02 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 1.19 0.00 0.00 136 G 8.35 4.01 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 0.00 0.00 0.00 137 G 8.29 3.59 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 0.00 138 S 7.98 4.09 0.00 4.06 4.13 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 0.00 139 A 7.95 3.96 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 0.00 140 S 8.26 4.07 0.00 4.03 4.02 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 0.00 141 L 7.90 3.93 0.00 1.81 1.81 0.90 0.95 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 0.00 142 A 8.13 3.93 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 0.00 143 L 8.33 3.84 0.00 1.59 1.33 0.92 0.85 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 0.00 144 S 8.03 4.11 0.00 4.05 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 0.00 145 L 8.01 4.12 0.00 1.81 1.68 0.89 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 146 L 8.04 4.04 0.00 1.81 1.66 0.89 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 147 K 8.11 3.85 0.00 1.92 1.96 0.00 1.68 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.44 7.81 148 E 8.32 3.95 0.00 2.08 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 2.50 2.26 0.00 149 R 7.24 4.31 0.00 1.96 1.96 0.00 3.20 0.00 0.00 3.19 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 150 G 8.37 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 0.00 0.00 0.00 151 A 7.46 4.12 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 0.00 152 T 8.04 4.52 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 1.23 0.00 0.00 153 G 8.64 3.82 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 0.00 0.00 0.00 154 V 7.61 3.74 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 0.89 0.00 0.00 0.85 0.00 0.00 155 K 8.27 4.78 0.00 1.44 1.68 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.26 1.08 7.81 156 L 9.00 4.97 0.00 1.72 1.56 0.93 0.98 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 *158 A 8.17 4.67 1.33 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 0.00 159 I 8.60 3.90 2.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.32 0.89 0.00 0.00 160 L 7.86 5.29 0.00 1.50 1.54 0.97 0.70 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 0.00 161 A 8.79 5.01 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 0.00 162 A 8.73 4.82 1.25 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 0.00 0.00 0.00 163 P 0.00 4.14 0.00 2.17 2.15 0.00 3.62 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 164 E 8.29 4.19 0.00 2.03 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 2.38 2.39 0.00 165 G 8.10 3.77 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 0.00 0.00 0.00 166 L 7.88 4.04 0.00 1.86 1.74 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 167 E 8.40 4.00 0.00 2.18 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 2.33 2.51 0.00 168 R 7.96 3.90 0.00 2.05 2.13 0.00 3.13 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.72 0.00 169 I 7.76 3.74 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 1.70 1.05 0.93 0.00 0.00 170 A 7.89 3.74 1.35 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 0.00 0.00 171 K 7.85 4.00 0.00 1.85 2.07 0.00 1.79 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.46 7.81 172 D 8.15 4.47 0.00 2.62 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 0.00 173 H 8.99 4.92 0.00 3.02 3.15 0.00 5.64 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 P 0.00 4.27 0.00 2.16 2.32 0.00 3.74 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 175 D 7.97 4.50 0.00 2.69 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 0.00 176 T 7.77 4.22 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 1.19 0.00 0.00 177 E 8.74 4.75 0.00 2.03 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 0.00 2.21 2.32 0.00 178 V 8.66 4.79 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 0.75 0.00 0.00 0.94 0.00 0.00 179 V 8.80 4.84 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 0.92 0.00 0.00 0.99 0.00 0.00 180 V 9.01 5.49 2.10 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 0.78 0.00 0.00 0.95 0.00 0.00 181 A 8.42 4.65 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 0.00 182 A 7.63 4.52 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 0.00 183 I 8.38 4.77 1.88 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 1.35 0.71 0.98 0.00 0.00 184 D 8.77 4.78 0.00 2.52 2.89 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 0.00 0.00 0.00 0.00 185 E 8.72 4.05 0.00 2.15 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 2.35 2.26 0.00 186 R 7.12 4.48 0.00 1.83 2.03 0.00 2.93 0.00 0.00 3.35 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 187 L 8.72 5.33 0.00 1.54 1.62 1.09 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 188 N 8.87 4.92 0.00 2.85 3.03 0.00 0.00 6.92 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 0.00 189 D 8.84 4.30 0.00 2.72 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 0.00 190 H 8.46 4.73 0.00 3.49 3.58 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 0.00 191 G 8.61 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 Y 8.48 4.44 0.00 3.11 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 0.00 193 I 8.37 4.40 1.93 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 1.24 0.82 1.01 0.00 0.00 194 V 8.80 4.57 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 1.01 0.00 0.00 1.04 0.00 0.00 195 P 0.00 4.37 0.00 2.10 2.11 0.00 4.08 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 196 G 8.56 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 0.00 0.00 0.00 197 L 8.74 4.49 0.00 1.90 1.81 1.15 0.56 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 0.00 198 G 8.44 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 0.00 0.00 0.00 199 D 8.56 4.81 0.00 2.97 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 200 A 8.74 4.11 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 0.00 201 G 8.21 3.80 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 0.00 0.00 0.00 202 D 8.32 4.84 0.00 2.83 2.85 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 0.00 203 R 7.96 3.79 0.00 0.84 0.66 0.00 3.02 0.00 0.00 2.92 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.57 0.00 204 I 7.07 3.84 1.55 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 1.77 0.81 -0.06 0.00 0.00 205 Y 7.60 4.81 0.00 3.00 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 0.00 206 G 8.07 3.76 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 0.00 0.00 0.00 207 T 7.23 4.76 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 1.31 0.00 0.00 208 K 8.24 4.23 0.00 1.69 1.65 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.35 7.81 * Residues marked with a * may have inaccurate shift predictions.