NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 Q 4.2791 8.2027 121.7176 55.6371 30.0168 173.6288 6 F 4.5659 8.9217 128.8429 57.7668 40.3310 172.7122 7 N 4.9774 8.7818 123.4000 51.5498 42.5136 172.3980 8 H 5.1860 8.7180 122.2674 54.4672 32.9093 172.7552 9 R 4.5930 8.8495 122.6148 54.8819 34.7981 174.0554 10 T 4.9755 8.4717 119.7737 62.6290 71.2357 175.1376 11 L 4.6793 8.5278 125.8930 52.9823 44.3320 175.8980 12 E 4.4304 8.9159 124.5592 55.8272 30.5164 176.4420 13 T 3.9824 8.0894 117.8393 62.1169 70.0460 172.8107 14 S 4.3386 8.7300 123.7205 59.8969 62.4836 174.2225 15 L 3.7426 8.7037 124.6002 54.2300 37.8600 171.2292 16 G 4.5233 7.6580 108.7639 44.8301 0.0000 172.1131 17 P 4.9127 0.0000 0.0000 62.4738 33.1088 175.7081 18 V 4.3471 8.6456 119.9623 61.0840 34.3855 174.1286 19 E 4.7037 9.0162 128.5102 55.5914 30.5696 175.2620 20 I 4.9711 8.2000 119.9608 59.0998 39.8677 174.6205 21 E 4.8711 8.0838 123.0799 54.7037 33.3311 174.9351 22 G 4.3640 7.0577 108.3336 45.5668 0.0000 169.4953 23 P 5.0129 0.0000 0.0000 62.5597 32.0515 176.5002 24 V 4.1603 8.3970 123.5662 62.0971 32.5907 176.5468 25 T 4.1336 8.2456 117.0122 61.7497 70.6166 175.3871 26 S 4.1514 8.4707 115.3385 61.1492 62.1875 176.3846 27 Q 4.0122 7.8327 119.9690 59.0556 28.8240 178.0273 28 I 3.7604 7.6603 122.8805 64.7065 37.1014 179.1246 29 L 4.1395 7.9438 123.0947 59.3556 40.4509 181.8029 30 A 4.4036 7.4101 118.6230 55.1527 18.3360 178.9651 31 T 3.8729 7.2502 107.2205 64.5063 69.1704 174.7119 32 Y 4.8629 7.0769 120.2240 58.2415 39.1795 175.7859 33 K 4.6856 9.0159 125.8434 53.9674 35.7044 176.0933 34 L 4.6660 8.3500 124.9150 53.9577 42.1957 175.8836 35 D 4.5182 8.9036 123.1505 53.0859 41.7338 175.5952 36 P 4.2596 0.0000 0.0000 65.5125 31.4793 177.5076 37 G 3.8634 8.0072 104.9040 46.7579 0.0000 173.4084 38 L 4.4947 7.9899 122.9809 55.9463 42.2560 177.8175 39 T 4.4805 7.7249 107.1117 60.4145 68.6672 177.5019 40 A 4.4295 8.1413 130.4346 54.5975 20.1006 179.0402 *41 F 4.8959 7.6759 111.9281 55.8795 43.0303 176.6864 42 R 3.7314 9.2289 123.8572 55.8935 29.1299 179.0149 43 Q 4.5186 9.1156 120.5233 54.1396 33.4534 170.0420 44 P 4.4146 0.0000 0.0000 65.9331 30.1098 178.4553 45 A 3.9877 8.0498 118.7140 55.0387 17.9723 178.7956 46 E 4.3326 8.0397 114.9696 57.6052 30.1779 178.1864 47 Q 4.0247 9.0809 121.2926 58.8071 29.0597 177.4169 48 H 4.1193 8.3750 122.1412 59.9467 30.0215 177.6552 49 E 3.9355 7.6712 117.5550 60.9840 29.4981 180.8664 50 A 4.1844 7.7898 122.7302 55.8869 18.3853 180.3804 51 L 3.8738 7.7713 123.1802 60.1234 40.6784 182.4613 52 V 3.7918 7.6514 119.6108 66.1095 31.2454 181.0699 53 E 4.1653 8.1746 119.5998 59.3582 29.3517 179.6792 54 I 3.6575 7.6777 119.1904 64.1273 36.9371 178.2845 55 A 4.0470 7.5540 120.7388 54.5540 18.2666 178.7568 56 A 4.2032 7.4351 117.3043 52.5265 19.0825 177.8309 57 L 4.2059 6.5943 119.4687 54.7111 42.4632 177.9284 58 E 4.1546 8.7644 117.1232 58.2573 29.8957 178.8525 59 E 4.3264 7.8986 114.9797 56.6217 31.0469 176.6637 60 G 4.1369 7.8040 106.6152 46.0479 0.0000 173.1986 61 R 4.8599 9.4426 125.4154 54.9046 34.4419 175.4926 62 I 4.9371 8.3228 121.6163 58.9474 38.8760 172.1127 63 I 4.7624 8.5642 129.9524 59.4370 38.8916 175.4126 64 I 5.0588 8.5647 118.9787 59.0258 41.3950 174.3196 65 A 4.8123 9.1616 128.0882 51.1375 20.8242 176.3891 66 R 4.8839 9.1818 122.4152 55.6612 33.9351 171.7740 67 Q 4.6197 8.6353 121.2848 53.4837 31.1860 177.1600 68 G 4.0326 8.9377 117.7660 46.8624 0.0000 172.5162 69 N 5.1777 8.9525 120.3619 52.7659 40.2052 172.0390 70 D 5.3197 7.7846 120.0093 52.5178 43.7244 175.5592 71 I 4.4720 8.9145 126.6854 61.0207 37.9557 176.6982 72 I 4.1700 8.5572 120.6001 60.9363 39.5767 175.2585 73 G 4.3274 7.6752 108.4114 46.2116 0.0000 171.5301 74 Y 5.4325 7.6313 117.8538 56.1341 42.2145 173.6399 75 V 4.8146 9.0102 119.2363 60.2911 35.0369 174.4009 76 T 5.0072 8.6233 114.3291 60.0028 71.9163 173.2177 77 F 5.4230 8.7989 121.4314 56.0314 43.4821 173.8477 78 L 4.4671 8.6851 122.2095 54.9922 44.1767 173.4920 79 Y 4.8597 8.5333 117.3475 57.1388 38.3049 174.9066 80 P 4.9913 0.0000 0.0000 61.8891 32.3230 175.7240 81 D 4.3798 8.8969 120.3996 54.1904 41.2672 175.3782 82 P 4.7856 0.0000 0.0000 65.1349 31.4499 177.1437 83 Y 4.4849 8.2961 114.1400 59.4025 38.3584 175.2084 84 E 4.8122 8.4259 119.9970 54.2856 32.4818 176.8859 85 T 3.8943 8.2481 116.9408 66.7710 68.4395 176.5426 86 W 4.6252 7.7275 119.2481 58.5065 29.3511 176.7298 87 S 4.6577 8.1003 112.6294 58.6264 63.5783 174.2754 88 E 3.9486 7.6742 120.8365 58.3245 29.4741 177.5238 89 G 3.9123 8.7292 111.5399 44.5082 0.0000 172.6569 90 N 3.9762 7.8475 116.0644 53.8989 36.7385 174.5914 91 N 4.4025 7.9107 116.5552 52.9650 39.5181 173.2809 92 P 4.1803 0.0000 0.0000 64.5449 31.9051 176.3337 93 Y 4.5242 8.3968 116.4032 58.1924 38.7579 174.7255 94 I 4.9114 7.6253 121.8193 60.1898 38.0354 175.0434 95 L 5.0545 9.5489 129.2476 53.1031 46.1072 174.3418 96 E 5.1162 9.1550 124.0052 54.1324 32.5247 174.8098 97 L 3.9410 9.1195 130.0285 54.7380 41.3911 176.6647 98 G 3.8351 8.5635 114.4282 48.7191 0.0000 172.0084 99 A 4.5937 7.5389 119.4985 50.7297 23.3570 175.2873 100 I 4.7948 8.2874 119.9986 59.2491 40.7798 174.2124 101 E 4.7151 8.1175 127.0474 54.5759 33.1559 174.6656 102 V 4.7399 8.0935 119.7860 60.6720 35.2535 174.7768 103 A 4.2188 8.6971 127.9049 52.4076 19.3198 178.7963 104 A 4.0691 8.8561 122.7239 55.3222 18.7090 180.6409 105 R 3.9901 8.0040 110.3096 58.5338 29.4588 177.2095 106 F 4.4104 8.0376 117.8950 58.0776 39.4626 176.5709 107 R 4.2129 7.6053 120.3290 57.3328 29.6424 182.3387 108 G 3.9936 9.1718 111.6875 45.7917 0.0000 174.5424 109 Q 4.5110 7.7005 117.3471 54.3013 28.7143 181.2247 110 Q 3.7104 8.0358 115.3361 57.9604 26.6015 176.4409 111 I 3.8446 7.3529 121.3898 64.3310 37.7963 179.0517 112 G 3.5308 8.1814 109.2672 48.5202 0.0000 175.2591 113 K 4.1971 7.9104 118.2271 57.5678 33.3105 178.3896 114 K 4.0152 7.5023 118.4050 58.3459 32.6343 178.5666 115 L 3.9869 8.1106 119.8082 57.8196 41.3053 179.5876 116 L 4.1094 7.6875 117.7607 57.8559 41.6521 179.1048 117 E 4.1061 7.5186 117.1203 59.4676 29.4858 179.3550 118 V 3.7518 7.6627 117.2113 65.6588 31.5497 178.7070 119 S 4.2985 7.7182 114.4904 59.5642 62.6498 175.8514 *121 L 4.2980 7.9051 123.8175 54.0029 42.9722 179.7182 122 D 4.8418 8.1829 117.0201 52.7306 41.3963 174.3938 123 P 4.3769 0.0000 0.0000 64.9532 32.0288 177.9656 124 A 4.2257 8.2743 125.9720 51.8494 17.1250 178.5829 *126 E 4.3834 8.1111 120.1238 57.2533 31.6578 177.3472 127 H 4.6085 8.2477 114.6836 55.7817 29.3522 174.2395 128 Y 5.0856 7.6684 117.3806 56.0144 41.9139 174.3551 129 L 4.7190 9.1693 125.1502 54.0498 43.6887 175.3567 130 I 4.9230 8.7947 129.4075 59.8365 38.8180 175.1653 131 L 4.9130 8.8370 128.1683 54.4719 43.3974 175.2829 132 T 4.9071 8.0037 112.8647 60.9105 71.0456 171.9978 133 T 4.7082 8.3594 117.4098 59.8107 71.1695 172.9702 134 E 4.7734 8.8421 125.0579 54.5707 33.1445 174.4856 135 Y 4.5027 7.6505 120.7501 55.5870 40.7504 176.6076 136 Y 2.0000 8.2943 121.8560 58.4324 38.1544 177.9383 137 W 3.9514 6.1812 115.9792 57.6883 28.5739 176.1363 138 H 4.8194 6.7968 113.1854 54.9959 28.6708 174.8105 139 W 4.1909 7.2999 121.8862 56.5351 29.2072 175.1938 140 D 4.6905 8.6147 123.3475 53.3611 40.9652 176.2040 141 L 4.5851 8.2738 126.4017 54.7421 42.2263 178.1012 142 K 3.9621 8.3373 119.8487 59.5864 32.0622 177.8998 143 G 3.8338 7.9240 103.6784 47.4140 0.0000 175.6962 144 S 4.3745 8.1350 116.2150 59.0063 62.9592 174.9797 145 G 3.8649 7.8191 107.9611 46.4124 0.0000 173.4627 146 L 4.5469 7.8512 119.0322 53.1585 43.6628 176.6142 147 S 4.7467 8.0868 114.7278 57.0648 66.0395 175.0759 148 V 3.8984 8.5454 124.2373 67.1193 31.1639 178.9608 *149 W 4.1203 8.0579 121.8133 61.4534 28.2483 179.7496 150 D 4.5481 8.1749 119.2570 57.2983 39.9903 178.2272 151 Y 3.6358 8.1429 119.7080 60.4393 38.8671 177.5401 152 R 3.5989 7.7359 118.3495 59.3740 30.4951 177.9993 153 K 4.0624 8.0144 119.1328 59.3853 31.8994 178.9181 154 I 3.5520 7.0688 116.5558 61.6902 36.8650 176.7065 *156 E 4.2986 8.1970 124.0434 56.8939 31.2482 177.8337 157 K 4.2206 7.4034 122.2198 54.9633 29.3175 178.2408 *160 N 5.3220 8.0463 121.3421 53.4972 40.8490 176.9902 161 H 4.0763 8.0562 113.9278 58.5200 28.7938 176.6141 162 G 3.7430 8.0349 105.8211 46.0274 0.0000 174.3428 163 G 3.9871 8.2543 108.8236 44.8870 0.0000 173.8993 164 L 4.4589 7.6486 120.3353 54.4376 42.5697 176.0514 165 V 4.8471 8.3582 115.4831 58.9856 35.5065 175.3839 166 F 4.5430 8.8666 125.1950 58.7225 39.9875 174.3452 167 F 4.6304 8.2308 123.8801 54.7108 42.0432 173.4762 168 P 4.2711 0.0000 0.0000 63.2169 31.9060 175.4728 169 T 4.7675 8.0244 113.4786 61.4183 70.0391 172.9395 170 D 4.8116 8.6567 125.5086 53.0370 39.9919 176.6204 171 D 4.3666 8.3216 120.7966 54.5228 41.9452 174.9753 172 P 4.3895 0.0000 0.0000 65.8609 31.6178 178.2877 173 E 4.3649 8.4408 116.6474 59.7526 29.5750 179.3315 174 I 3.8850 8.5510 119.6121 64.3897 37.0289 178.1433 175 A 4.3978 8.5607 120.3108 53.9968 18.3421 179.1900 176 S 4.3922 7.8331 112.1439 59.8922 63.8354 173.9897 177 H 4.8272 7.7938 121.3799 53.9502 32.8696 172.3368 178 P 4.3801 0.0000 0.0000 65.4189 31.4113 177.4851 179 A 4.3072 8.2168 121.4343 54.9626 18.6474 177.5888 180 N 4.7232 7.7966 112.0015 54.1801 39.3805 174.6475 181 C 4.8740 8.7087 114.0764 57.5270 33.5384 172.7754 182 L 5.1389 8.5318 121.7639 52.6688 44.9007 174.5432 *184 A 4.5486 8.1891 121.8850 51.7266 20.4867 175.5680 185 R 4.7803 9.1370 121.4944 54.6849 32.4305 175.1632 186 I 4.4086 8.4777 128.7021 59.8022 37.6618 176.1879 187 G 3.8521 8.6197 117.7589 46.8304 0.0000 174.4914 188 K 4.0370 8.8900 123.9636 57.0618 31.8236 177.8803 189 H 4.7006 7.8475 112.4034 55.5881 28.9149 175.0044 190 V 3.5661 7.5327 120.7376 62.2599 31.8995 175.9503 191 A 4.2124 8.1044 129.5113 51.1181 19.2267 176.4002 192 P 4.2850 0.0000 0.0000 65.7768 31.2728 179.1457 193 E 3.9744 8.0948 117.0830 59.2915 29.4258 179.3510 194 V 3.6862 7.6185 118.5400 65.9639 31.5519 178.3479 195 V 3.7008 7.7998 117.4238 65.8825 31.4609 177.7009 196 A 4.0231 8.4128 120.9805 55.3779 18.2127 179.1429 197 H 4.1777 8.3898 116.8832 59.2952 29.9770 177.2061 198 F 4.3167 8.4273 122.5286 61.6150 39.2152 176.8716 199 D 4.0412 8.4244 118.3140 57.1788 40.4357 178.6414 200 A 4.0016 7.9159 121.2728 54.6641 18.0706 179.8034 201 L 3.7979 7.4874 117.4468 57.8420 42.0676 179.4025 202 R 4.2397 7.9639 115.9098 57.5981 30.6201 176.5907 203 L 4.8286 7.3398 119.3991 53.2717 40.8907 176.6744 204 R 4.1229 7.7954 117.6898 57.2464 31.3454 176.2840 205 R 3.7095 8.7456 116.7962 57.1888 28.3247 178.3963 206 R 3.5042 7.9729 120.0848 58.3646 30.5308 175.9157 207 F 4.5492 7.2467 118.3402 57.4879 39.1781 175.1417 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 5 Q 8.20 4.28 0.00 2.12 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 7.06 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 6 F 8.92 4.57 0.00 3.14 2.97 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 7 N 8.78 4.98 0.00 2.56 2.54 0.00 0.00 5.98 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 8 H 8.72 5.19 0.00 3.03 3.15 0.00 5.67 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 R 8.85 4.59 0.00 1.55 1.63 0.00 3.25 0.00 0.00 3.09 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.67 0.00 10 T 8.47 4.98 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 1.27 0.00 0.00 11 L 8.53 4.68 0.00 1.29 1.51 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.92 4.43 0.00 1.83 1.91 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 2.31 2.37 0.00 13 T 8.09 3.98 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 1.33 0.00 0.00 14 S 8.73 4.34 0.00 3.67 3.65 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.70 3.74 0.00 1.84 1.70 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.66 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.91 0.00 2.11 2.09 0.00 3.73 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 18 V 8.65 4.35 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.99 0.00 0.00 19 E 9.02 4.70 0.00 2.05 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 2.42 0.00 20 I 8.20 4.97 1.81 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 1.23 1.37 0.89 0.00 0.00 21 E 8.08 4.87 0.00 1.56 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 2.25 2.49 0.00 22 G 7.06 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 0.00 0.00 0.00 0.00 23 P 0.00 5.01 0.00 2.14 2.11 0.00 3.96 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.97 0.00 24 V 8.40 4.16 2.21 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 0.97 0.00 0.00 1.20 0.00 0.00 25 T 8.25 4.13 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 1.19 0.00 0.00 26 S 8.47 4.15 0.00 3.89 3.87 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 27 Q 7.83 4.01 0.00 1.99 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.87 0.00 0.00 0.00 0.00 0.00 2.33 2.47 0.00 28 I 7.66 3.76 1.81 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.92 0.78 0.00 0.00 29 L 7.94 4.14 0.00 1.67 1.68 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 30 A 7.41 4.40 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 31 T 7.25 3.87 4.07 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 1.07 0.00 0.00 32 Y 7.08 4.86 0.00 3.01 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 33 K 9.02 4.69 0.00 1.41 1.62 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.78 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.25 1.22 7.81 34 L 8.35 4.67 0.00 1.42 1.47 0.92 0.95 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 35 D 8.90 4.52 0.00 2.94 2.59 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 36 P 0.00 4.26 0.00 2.11 2.15 0.00 3.77 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 2.06 2.13 0.00 37 G 8.01 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 0.00 0.00 0.00 38 L 7.99 4.49 0.00 1.82 1.83 1.13 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 39 T 7.72 4.48 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 40 A 8.14 4.43 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 *41 F 7.68 4.90 0.00 2.26 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 0.00 0.00 0.00 42 R 9.23 3.73 0.00 2.13 1.59 0.00 3.22 0.00 0.00 3.16 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 43 Q 9.12 4.52 0.00 2.12 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.73 0.00 0.00 0.00 0.00 0.00 2.30 2.47 0.00 44 P 0.00 4.41 0.00 2.22 2.16 0.00 3.69 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 2.16 2.25 0.00 45 A 8.05 3.99 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 46 E 8.04 4.33 0.00 2.03 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 2.35 2.36 0.00 47 Q 9.08 4.02 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.82 0.00 0.00 0.00 0.00 0.00 2.49 2.39 0.00 48 H 8.37 4.12 0.00 3.34 3.43 0.00 5.65 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 7.67 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0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.45 0.00 108 G 9.17 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 0.00 109 Q 7.70 4.51 0.00 1.90 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.21 0.00 0.00 0.00 0.00 0.00 2.21 2.17 0.00 110 Q 8.04 3.71 0.00 2.17 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.70 6.90 0.00 0.00 0.00 0.00 0.00 2.31 2.25 0.00 111 I 7.35 3.84 1.84 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.75 0.83 0.00 0.00 112 G 8.18 3.53 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 0.00 0.00 0.00 113 K 7.91 4.20 0.00 1.84 1.97 0.00 1.47 0.00 0.00 1.44 0.00 0.00 2.79 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.49 1.33 7.81 114 K 7.50 4.02 0.00 1.96 1.84 0.00 1.64 0.00 0.00 1.73 0.00 0.00 2.89 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.35 1.57 7.81 115 L 8.11 3.99 0.00 1.85 1.70 0.86 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 116 L 7.69 4.11 0.00 1.65 1.77 0.93 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 117 E 7.52 4.11 0.00 2.00 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 2.35 2.41 0.00 118 V 7.66 3.75 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 0.72 0.00 0.00 0.92 0.00 0.00 119 S 7.72 4.30 0.00 4.22 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 *121 L 7.91 4.30 0.00 1.69 1.63 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 122 D 8.18 4.84 0.00 2.59 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.38 0.00 2.24 2.19 0.00 3.83 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 124 A 8.27 4.23 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 *126 E 8.11 4.38 0.00 2.24 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 0.00 2.34 2.34 0.00 127 H 8.25 4.61 0.00 3.11 3.17 0.00 5.59 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 Y 7.67 5.09 0.00 2.84 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 0.00 129 L 9.17 4.72 0.00 1.65 1.53 0.62 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 130 I 8.79 4.92 1.89 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.85 1.08 0.00 0.00 131 L 8.84 4.91 0.00 1.56 1.49 0.63 0.46 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 0.00 132 T 8.00 4.91 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 1.20 0.00 0.00 133 T 8.36 4.71 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 0.74 0.00 0.00 134 E 8.84 4.77 0.00 1.97 2.21 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 2.26 2.53 0.00 135 Y 7.65 4.50 0.00 1.43 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 Y 8.29 2.00 0.00 2.57 2.46 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 0.00 137 W 6.18 3.95 0.00 2.99 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 H 6.80 4.82 0.00 3.27 3.48 0.00 5.75 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 W 7.30 4.19 0.00 3.04 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 0.00 0.00 0.00 140 D 8.61 4.69 0.00 2.67 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 L 8.27 4.59 0.00 1.78 1.74 1.03 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 142 K 8.34 3.96 0.00 2.04 1.98 0.00 1.88 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.43 1.10 7.81 143 G 7.92 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 0.00 0.00 0.00 144 S 8.13 4.37 0.00 3.94 3.98 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 0.00 0.00 0.00 145 G 7.82 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 0.00 0.00 0.00 146 L 7.85 4.55 0.00 1.76 1.69 0.92 0.91 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 0.00 147 S 8.09 4.75 0.00 4.09 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 0.00 148 V 8.55 3.90 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 1.04 0.00 0.00 *149 W 8.06 4.12 0.00 2.54 2.27 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 0.00 150 D 8.17 4.55 0.00 2.95 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 0.00 151 Y 8.14 3.64 0.00 2.97 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 0.00 152 R 7.74 3.60 0.00 2.05 2.28 0.00 3.48 0.00 0.00 3.60 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.70 0.00 153 K 8.01 4.06 0.00 2.02 1.71 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.37 1.42 7.81 154 I 7.07 3.55 1.61 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.59 0.66 0.00 0.00 *156 E 8.20 4.30 0.00 1.96 2.16 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 2.15 2.32 0.00 157 K 7.40 4.22 0.00 1.75 1.72 0.00 1.89 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.37 1.29 7.81 *160 N 8.05 5.32 0.00 2.94 2.88 0.00 0.00 7.62 8.16 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 0.00 161 H 8.06 4.08 0.00 3.08 3.36 0.00 5.84 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 0.00 162 G 8.03 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 0.00 163 G 8.25 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 0.00 164 L 7.65 4.46 0.00 1.81 1.65 0.99 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 165 V 8.36 4.85 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 0.63 0.00 0.00 0.89 0.00 0.00 166 F 8.87 4.54 0.00 3.00 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 0.00 167 F 8.23 4.63 0.00 2.81 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 0.00 168 P 0.00 4.27 0.00 2.08 2.08 0.00 3.76 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.27 0.00 169 T 8.02 4.77 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 1.35 0.00 0.00 170 D 8.66 4.81 0.00 2.85 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 0.00 171 D 8.32 4.37 0.00 2.87 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 0.00 172 P 0.00 4.39 0.00 2.18 2.20 0.00 3.82 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.44 0.00 173 E 8.44 4.36 0.00 2.58 2.37 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 2.55 2.57 0.00 174 I 8.55 3.88 2.09 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.54 0.99 0.00 0.00 175 A 8.56 4.40 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 S 7.83 4.39 0.00 4.15 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 H 7.79 4.83 0.00 3.39 3.29 0.00 5.59 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 P 0.00 4.38 0.00 2.22 2.18 0.00 3.38 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.88 0.00 179 A 8.22 4.31 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 0.00 180 N 7.80 4.72 0.00 3.04 2.67 0.00 0.00 6.83 6.95 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 0.00 181 C 8.71 4.87 0.00 3.35 3.31 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 0.00 182 L 8.53 5.14 0.00 1.66 1.61 0.40 1.33 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 *184 A 8.19 4.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 R 9.14 4.78 0.00 1.86 1.80 0.00 3.22 0.00 0.00 3.17 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.66 0.00 186 I 8.48 4.41 1.91 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 1.14 0.67 0.90 0.00 0.00 187 G 8.62 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 0.00 188 K 8.89 4.04 0.00 1.81 1.75 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.29 7.81 189 H 7.85 4.70 0.00 2.98 3.11 0.00 5.82 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 0.00 190 V 7.53 3.57 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 0.69 0.00 0.00 1.02 0.00 0.00 191 A 8.10 4.21 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 P 0.00 4.28 0.00 2.16 2.12 0.00 3.57 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 2.10 2.17 0.00 193 E 8.09 3.97 0.00 2.04 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 2.43 0.00 194 V 7.62 3.69 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 1.09 0.00 0.00 0.91 0.00 0.00 195 V 7.80 3.70 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 1.16 0.00 0.00 1.00 0.00 0.00 196 A 8.41 4.02 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 0.00 197 H 8.39 4.18 0.00 3.42 3.57 0.00 5.62 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 F 8.43 4.32 0.00 3.09 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 0.00 199 D 8.42 4.04 0.00 2.88 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 7.92 4.00 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 0.00 201 L 7.49 3.80 0.00 1.88 1.75 1.13 0.87 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 0.00 202 R 7.96 4.24 0.00 2.05 1.99 0.00 2.54 0.00 0.00 2.25 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.47 0.00 203 L 7.34 4.83 0.00 1.74 1.61 0.91 0.71 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 0.00 204 R 7.80 4.12 0.00 1.73 1.90 0.00 3.03 0.00 0.00 2.25 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.46 0.00 205 R 8.75 3.71 0.00 1.88 1.97 0.00 3.18 0.00 0.00 3.09 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.72 0.00 206 R 7.97 3.50 0.00 1.38 1.37 0.00 2.76 0.00 0.00 2.69 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.99 0.00 207 F 7.25 4.55 0.00 3.14 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.