NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.9567 8.2133 109.7386 45.5203 0.0000 174.3340 4 Q 3.9853 8.2498 117.1357 56.6575 28.7474 176.9167 5 L 3.7946 8.6737 122.6570 58.7042 42.8254 178.4299 6 T 3.8849 7.6914 115.1246 66.8116 68.4513 175.9083 7 K 3.9360 8.0172 120.0170 59.5925 32.0301 179.2603 8 Q 3.8924 7.6977 118.7082 59.4035 29.0363 177.6629 9 H 4.2787 7.7798 116.9104 59.2405 28.8345 177.9737 10 V 3.5213 7.6887 119.2432 65.8343 31.3833 178.0107 11 R 3.7749 8.1618 118.5327 59.0519 29.8474 178.2831 12 A 3.9425 8.5800 121.6059 55.3420 18.5654 179.6355 13 L 3.8165 7.7723 116.9227 57.3935 41.6032 179.0935 14 A 3.9039 7.7911 121.1410 55.3026 18.2776 179.6649 15 I 3.8915 7.7015 116.9893 64.1737 36.9713 178.7725 16 S 4.0170 7.9934 113.2785 61.4329 62.4212 175.7892 17 A 4.3065 7.6932 120.3578 53.6994 18.4995 179.3324 18 L 4.0567 8.2121 117.6961 57.1124 43.2550 176.6701 19 A 3.5935 8.3434 119.2880 52.0594 15.6166 175.6152 20 P 4.1373 0.0000 0.0000 62.0018 32.5836 176.8126 21 K 3.9916 10.6581 121.4702 57.8719 33.5613 176.6330 *24 E 4.1554 7.8189 119.7090 56.1343 31.1846 174.4727 25 T 4.2587 8.6621 124.3725 63.5371 69.6792 173.2599 26 L 4.9000 8.4615 127.9242 53.1093 44.6316 174.8965 27 W 5.3788 9.1194 125.1006 55.1510 32.1032 174.7083 28 D 5.2728 9.2586 122.9813 52.8741 43.9547 174.1389 29 I 4.7145 9.0189 128.1112 61.4410 39.3275 175.1105 30 G 4.0229 8.6287 115.6328 44.7798 0.0000 174.8072 31 G 3.4779 9.1211 109.4118 47.0183 0.0000 174.0771 *34 G 3.9184 8.8369 112.5320 44.7247 0.0000 174.9062 35 S 4.3485 7.8938 115.6683 60.9474 63.5447 176.2807 36 I 3.6050 7.8146 122.7061 63.6596 36.6407 177.9682 37 A 4.0949 7.9236 121.3583 54.9109 18.2412 179.0671 38 I 3.6541 7.2328 117.3114 65.0175 36.7990 178.1091 39 E 4.2113 8.1433 118.3117 57.7868 29.0851 178.0447 40 W 4.5378 7.7211 126.2650 58.3834 31.0796 178.0220 41 L 4.1718 8.3675 119.3356 57.7602 41.1517 179.0722 42 R 4.1016 7.6371 114.3720 58.5578 29.6118 178.4789 43 S 4.1421 7.3081 114.0844 60.5453 63.1812 174.6031 44 T 4.3458 6.4462 117.6294 59.7013 69.9170 172.3515 45 P 4.0332 0.0000 0.0000 64.0950 31.3994 176.4104 46 Q 3.6937 8.6856 122.9827 57.1123 26.1879 174.3276 47 T 4.2528 7.1431 113.5201 64.1339 69.6711 174.9703 48 T 4.6965 8.3247 119.6765 63.0367 71.0820 173.3749 49 A 5.0565 8.0986 121.6266 51.2540 23.3234 175.5983 50 V 4.4459 8.8951 118.8887 61.3975 35.5821 173.6284 51 C 5.1557 8.6313 124.8241 57.8522 31.5487 172.8696 52 F 5.3737 9.0064 122.5198 55.0401 40.5948 174.1792 53 E 4.8489 8.5501 124.9615 54.4280 32.1894 175.2050 54 I 3.8239 8.7842 121.2520 63.7319 38.5370 176.9208 55 S 4.1589 8.1499 117.9583 58.6000 64.4812 174.3164 56 E 3.9308 8.9455 126.2289 59.4800 29.4157 178.2493 57 E 4.3695 7.8946 120.7639 57.8109 29.9607 179.4538 58 R 3.8737 7.7779 117.9094 59.8685 30.1548 178.7424 59 R 3.8820 8.0274 117.7697 59.3361 29.8341 178.7917 60 E 3.9380 8.2883 118.3084 59.6224 29.3273 179.7208 61 R 3.9965 7.9012 117.8230 58.9631 30.2082 178.6182 62 I 3.6346 7.9133 119.8321 64.5019 37.0140 178.1402 63 L 3.9153 7.6432 120.7960 58.1666 42.0714 178.8992 64 S 4.0360 7.7678 113.1504 61.2680 62.4673 175.4747 65 N 4.2575 8.3984 119.2920 56.4434 38.3590 177.0588 66 A 4.0571 8.1106 121.7986 55.2601 18.4625 179.3831 67 I 3.6593 8.0447 119.8476 63.9833 37.0314 178.0199 68 N 4.4589 7.9323 115.5432 56.6108 38.5765 177.1573 69 L 4.2651 7.2519 113.8443 54.8610 41.3903 177.8390 70 G 3.9252 8.6629 107.8282 46.1572 0.0000 174.9124 71 V 4.2810 7.4691 117.3401 61.0737 31.9112 177.4438 72 S 4.3516 7.8290 115.6006 60.3763 63.1805 175.5841 73 D 4.5586 7.9860 120.5526 56.3267 39.6664 176.7261 74 R 4.8037 7.8262 118.6514 55.3359 30.8354 175.8121 75 I 4.8278 7.7723 116.8568 59.4953 41.5179 173.4422 76 A 4.6700 8.4565 129.7453 50.1429 21.9782 175.6602 77 V 4.1354 8.2680 121.1563 61.2835 32.6549 174.6767 78 Q 4.4111 8.3141 127.6165 53.9702 31.9836 174.8673 79 Q 4.4794 8.2099 117.9872 55.3346 30.6291 176.1604 80 G 3.8161 8.4166 106.4041 45.9162 0.0000 173.1792 81 A 3.5634 8.1039 123.2087 51.1996 19.0838 176.1312 82 P 3.5086 0.0000 0.0000 62.3284 32.4295 178.1651 83 R 3.8222 7.5809 118.8096 58.7755 30.4445 177.7240 84 A 4.6895 7.4536 119.4779 53.0645 19.0529 179.0404 85 F 4.2833 7.4505 114.4147 61.0477 39.0143 176.9411 86 D 4.6196 8.2195 117.0012 56.9905 40.4871 177.1230 87 D 5.0475 8.1063 117.4418 54.0771 41.0014 175.9926 88 V 4.4205 7.5066 120.0569 60.0571 32.3262 172.6772 89 P 4.4435 0.0000 0.0000 65.4633 31.5693 177.2622 90 D 4.7798 7.8102 117.2227 53.3554 42.7618 174.3525 91 N 4.5732 8.2709 116.2993 51.2284 42.0996 172.7913 92 P 4.3130 0.0000 0.0000 62.5934 32.2422 176.2223 93 D 4.4971 8.5983 119.3997 56.7203 41.9396 176.2533 94 V 4.8082 7.3285 116.8265 61.6040 35.5033 172.9283 95 I 5.1597 9.7253 125.4323 59.4616 41.4828 173.9987 96 F 5.4023 9.1589 128.3444 56.6130 42.3383 173.7805 97 I 4.1522 8.3278 127.5867 59.9928 38.2347 176.3144 98 G 3.4978 8.5116 115.4903 47.8717 0.0000 173.5098 99 G 4.2262 7.6797 108.8826 43.9981 0.0000 172.1378 100 G 3.9886 8.5366 108.1948 46.3239 0.0000 173.1628 101 L 4.6391 7.5422 112.2879 56.6205 42.0949 177.8597 102 T 4.5990 7.8408 105.4596 62.4328 69.3332 173.5886 103 A 4.7041 7.5556 123.6535 50.2219 21.8239 174.4362 104 P 4.4140 0.0000 0.0000 64.2831 31.7280 177.0791 105 G 4.0456 9.0682 111.6155 45.8198 0.0000 175.2080 106 V 3.5701 7.7010 119.1974 65.7380 31.4041 177.7366 107 F 4.2223 8.3190 119.9347 60.9917 39.2789 176.5705 108 A 4.1989 8.4674 119.8551 55.6849 17.9245 179.3982 109 A 4.0598 8.3098 117.4967 55.0122 18.6887 179.4310 110 A 3.9515 7.6957 118.1530 54.8255 18.7692 179.5215 111 W 3.6709 8.3392 127.2159 60.3499 30.4237 177.8496 112 K 3.7537 7.6114 118.4962 59.7778 31.6433 178.6663 113 R 3.8123 7.4732 116.8291 56.9208 30.0778 176.4368 114 L 3.8651 6.6585 121.5624 52.5989 43.0319 174.6389 115 P 4.2174 0.0000 0.0000 61.9166 32.1046 175.8170 116 V 3.7386 7.8215 119.4118 64.6010 31.7706 176.6184 117 G 3.8834 10.2705 114.9126 45.3858 0.0000 173.7406 118 G 3.8234 7.2956 106.6569 45.8950 0.0000 172.5106 119 R 5.1135 8.0764 116.8681 54.2706 34.3204 174.6059 120 L 4.9218 8.4497 125.2690 53.2750 45.6619 175.1461 121 V 4.9936 9.3194 124.9013 61.1651 34.8411 174.1060 122 A 5.1046 9.0542 128.3614 50.2411 22.7381 174.1695 123 N 5.7391 8.4891 115.4319 51.9443 42.4194 174.1553 124 A 4.8700 8.8420 120.3859 51.3203 22.5737 177.5441 125 V 4.6165 8.6526 117.7406 60.9239 33.3231 175.7485 126 T 4.5999 7.5564 110.6079 59.7886 70.9492 175.6724 127 V 3.7322 8.1582 121.1511 65.7220 31.1845 178.2504 128 E 3.9566 7.9770 117.4797 59.5153 29.6895 178.5418 129 S 4.2423 7.4735 113.3396 61.7920 63.0557 175.9194 130 E 4.0304 8.4458 121.9573 59.4927 29.1924 179.8583 131 Q 4.2062 8.6603 116.3761 56.6034 29.2005 178.9217 *133 L 3.7350 7.9310 121.9121 54.5308 43.8652 179.4541 134 W 3.9318 7.7351 118.0649 59.6809 28.9736 177.8166 135 A 3.8455 8.1802 120.7162 55.5331 17.6929 179.4532 136 L 3.4282 7.1892 115.3275 57.7076 41.7357 179.8047 137 R 3.6140 7.6633 119.0660 59.0382 29.7436 177.9607 138 K 4.1936 8.0269 117.1227 57.7392 32.2083 177.1888 139 Q 4.1307 6.9547 117.1241 58.2210 30.1873 176.4443 140 F 4.9457 8.2445 115.4039 59.0361 39.9825 176.9315 141 G 3.9393 8.2511 105.6718 45.2499 0.0000 173.6206 142 G 4.0308 9.9726 107.2820 46.1017 0.0000 172.4726 143 T 4.7142 8.3580 114.5667 62.7440 73.6207 172.9156 144 I 4.8747 8.3460 125.9884 59.8759 39.1068 175.1630 145 S 4.8630 9.4928 121.7912 56.7208 67.1064 173.1579 146 S 4.6622 7.9946 115.1496 56.6141 66.3655 173.2509 147 F 4.8474 9.5255 120.3891 55.8552 42.1007 173.9117 148 A 4.8681 8.8598 126.5721 50.6413 19.8757 175.7001 149 I 4.6486 8.3314 122.6403 60.4719 40.4098 175.0561 150 S 4.8240 8.2321 117.8804 57.5257 66.5604 172.0580 151 H 5.1367 8.8382 115.9686 53.8001 32.8782 173.7097 152 E 4.3185 8.8683 118.2085 57.6976 30.1712 175.6311 153 H 4.3268 8.9115 118.2603 55.9534 33.8690 173.7215 *156 G 3.7736 8.4876 110.9236 46.0239 0.0000 173.6092 157 S 4.4095 8.1334 120.8726 57.8365 63.3070 173.7384 158 F 5.0266 7.4514 118.0393 56.1744 41.9759 174.4491 159 I 4.8515 8.2870 123.5440 60.2290 40.7386 176.5122 160 T 4.7039 8.3550 113.4841 61.8252 70.6439 176.7121 *162 K 4.3852 8.9083 118.6321 55.6970 33.5687 171.3573 163 P 5.1022 0.0000 0.0000 61.3410 32.9118 175.6819 164 A 4.5386 8.0752 126.3623 50.4704 20.5207 176.9595 165 L 4.1383 8.3377 118.2841 54.3326 42.2223 175.7144 166 P 4.6437 0.0000 0.0000 62.6275 32.1468 175.7446 167 V 4.5548 8.8172 124.6327 61.7251 33.7019 174.0244 168 H 5.3839 9.4830 124.9765 54.1625 31.6891 173.2427 169 Q 5.1350 9.8972 123.9442 54.2126 32.9155 173.1892 170 W 5.2546 9.1771 135.0000 56.0553 33.4610 174.1559 171 T 4.8208 8.9155 124.8655 61.6763 70.2828 173.8667 172 V 4.5115 8.1175 125.6089 59.7361 35.2950 174.9091 173 V 4.3473 8.2890 122.9916 61.1021 32.4294 175.6504 174 K 4.3942 8.6179 130.9887 56.2134 31.5538 176.9121 175 A 4.2365 8.1510 128.1458 52.0085 19.3319 175.8278 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 3 G 8.21 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 Q 8.25 3.99 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.86 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 5 L 8.67 3.79 0.00 1.63 1.44 0.72 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 6 T 7.69 3.88 4.43 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 1.25 0.00 0.00 7 K 8.02 3.94 0.00 1.97 1.86 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.65 7.81 8 Q 7.70 3.89 0.00 2.09 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 9 H 7.78 4.28 0.00 3.35 3.28 0.00 5.67 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 10 V 7.69 3.52 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 1.04 0.00 0.00 0.96 0.00 0.00 11 R 8.16 3.77 0.00 2.11 2.03 0.00 3.35 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.58 0.00 12 A 8.58 3.94 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.77 3.82 0.00 1.26 0.88 0.27 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 14 A 7.79 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 I 7.70 3.89 1.87 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.85 0.97 0.00 0.00 16 S 7.99 4.02 0.00 3.87 4.09 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 17 A 7.69 4.31 1.51 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 0.00 0.00 0.00 18 L 8.21 4.06 0.00 1.87 2.09 0.80 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 19 A 8.34 3.59 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 20 P 0.00 4.14 0.00 1.47 0.49 0.00 3.57 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 2.01 0.00 21 K 10.66 3.99 0.00 1.79 1.78 0.00 1.72 0.00 0.00 1.61 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.67 7.81 *24 E 7.82 4.16 0.00 2.20 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.48 0.00 25 T 8.66 4.26 4.50 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 1.40 0.00 0.00 26 L 8.46 4.90 0.00 0.27 0.54 0.54 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 27 W 9.12 5.38 0.00 3.24 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 28 D 9.26 5.27 0.00 2.69 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 29 I 9.02 4.71 2.01 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 1.43 1.44 1.04 0.00 0.00 30 G 8.63 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 0.00 0.00 0.00 31 G 9.12 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 0.00 0.00 0.00 0.00 *34 G 8.84 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 0.00 0.00 0.00 35 S 7.89 4.35 0.00 4.07 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 36 I 7.81 3.61 1.91 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 -0.02 0.54 0.00 0.00 37 A 7.92 4.09 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 38 I 7.23 3.65 2.00 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 1.53 0.97 0.93 0.00 0.00 39 E 8.14 4.21 0.00 2.06 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 2.32 2.50 0.00 40 W 7.72 4.54 0.00 3.50 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 41 L 8.37 4.17 0.00 1.98 1.78 1.05 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 42 R 7.64 4.10 0.00 1.99 2.06 0.00 3.11 0.00 0.00 3.31 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.72 0.00 43 S 7.31 4.14 0.00 3.94 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 0.00 44 T 6.45 4.35 3.81 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 0.00 0.00 1.06 0.00 0.00 45 P 0.00 4.03 0.00 2.11 1.99 0.00 3.64 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 2.06 2.08 0.00 46 Q 8.69 3.69 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 7.01 0.00 0.00 0.00 0.00 0.00 2.24 2.29 0.00 47 T 7.14 4.25 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 0.80 0.00 0.00 48 T 8.32 4.70 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 49 A 8.10 5.06 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 V 8.90 4.45 1.50 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 0.06 0.00 0.00 0.91 0.00 0.00 51 C 8.63 5.16 0.00 2.82 2.62 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 52 F 9.01 5.37 0.00 3.07 3.05 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 53 E 8.55 4.85 0.00 1.86 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 2.28 0.00 54 I 8.78 3.82 1.87 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 1.42 0.59 0.90 0.00 0.00 55 S 8.15 4.16 0.00 3.93 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 56 E 8.95 3.93 0.00 2.06 1.83 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 2.37 2.50 0.00 57 E 7.89 4.37 0.00 2.07 1.93 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 2.37 2.26 0.00 58 R 7.78 3.87 0.00 1.96 1.96 0.00 3.24 0.00 0.00 3.43 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 59 R 8.03 3.88 0.00 1.95 1.94 0.00 3.23 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.90 0.00 60 E 8.29 3.94 0.00 2.13 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 2.34 2.47 0.00 61 R 7.90 4.00 0.00 2.05 1.96 0.00 3.15 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 1.92 0.00 62 I 7.91 3.63 1.99 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.80 0.88 0.00 0.00 63 L 7.64 3.92 0.00 1.70 1.80 0.90 0.80 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 64 S 7.77 4.04 0.00 3.89 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 65 N 8.40 4.26 0.00 2.99 2.87 0.00 0.00 6.91 7.91 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 66 A 8.11 4.06 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 67 I 8.04 3.66 2.06 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.46 0.91 0.00 0.00 68 N 7.93 4.46 0.00 2.70 2.90 0.00 0.00 7.19 7.33 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 69 L 7.25 4.27 0.00 1.90 1.71 0.93 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 70 G 8.66 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 71 V 7.47 4.28 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.95 0.00 0.00 72 S 7.83 4.35 0.00 4.02 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 73 D 7.99 4.56 0.00 2.67 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 74 R 7.83 4.80 0.00 1.81 2.12 0.00 3.11 0.00 0.00 3.10 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 75 I 7.77 4.83 1.88 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.70 0.90 0.00 0.00 76 A 8.46 4.67 1.07 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 0.00 0.00 77 V 8.27 4.14 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 0.77 0.00 0.00 0.86 0.00 0.00 78 Q 8.31 4.41 0.00 1.50 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.50 0.00 0.00 0.00 0.00 0.00 1.85 2.01 0.00 79 Q 8.21 4.48 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.03 0.00 0.00 0.00 0.00 0.00 2.43 2.30 0.00 80 G 8.42 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 81 A 8.10 3.56 0.64 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 82 P 0.00 3.51 0.00 2.02 1.84 0.00 3.48 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.89 0.00 83 R 7.58 3.82 0.00 1.77 1.88 0.00 3.16 0.00 0.00 3.34 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.60 0.00 84 A 7.45 4.69 1.48 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 0.00 0.00 0.00 85 F 7.45 4.28 0.00 3.08 3.19 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 86 D 8.22 4.62 0.00 2.85 2.98 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 87 D 8.11 5.05 0.00 2.97 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 88 V 7.51 4.42 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 0.99 0.00 0.00 1.04 0.00 0.00 89 P 0.00 4.44 0.00 2.26 2.22 0.00 3.90 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 2.05 2.04 0.00 90 D 7.81 4.78 0.00 2.81 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 91 N 8.27 4.57 0.00 2.47 2.42 0.00 0.00 6.79 8.02 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 92 P 0.00 4.31 0.00 1.97 1.29 0.00 2.84 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.44 0.00 93 D 8.60 4.50 0.00 2.89 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 94 V 7.33 4.81 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 0.83 0.00 0.00 1.06 0.00 0.00 95 I 9.73 5.16 1.79 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.44 1.00 0.00 0.00 96 F 9.16 5.40 0.00 3.02 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 I 8.33 4.15 1.80 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.94 0.98 0.00 0.00 98 G 8.51 3.50 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 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0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.73 0.00 116 V 7.82 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 0.78 0.00 0.00 0.84 0.00 0.00 117 G 10.27 3.88 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 0.00 0.00 0.00 118 G 7.30 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 0.00 119 R 8.08 5.11 0.00 1.84 1.75 0.00 3.08 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.50 0.00 120 L 8.45 4.92 0.00 1.65 1.51 1.14 1.09 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 0.00 121 V 9.32 4.99 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 1.25 0.00 0.00 1.01 0.00 0.00 122 A 9.05 5.10 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 N 8.49 5.74 0.00 2.83 2.81 0.00 0.00 6.72 6.62 0.00 0.00 0.00 0.00 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0.00 2.36 2.50 0.00 *133 L 7.93 3.74 0.00 1.38 1.27 0.91 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 134 W 7.74 3.93 0.00 3.44 3.11 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 0.00 0.00 0.00 135 A 8.18 3.85 1.17 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 0.00 136 L 7.19 3.43 0.00 0.64 0.50 -0.03 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 137 R 7.66 3.61 0.00 0.67 1.37 0.00 3.07 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.83 0.00 138 K 8.03 4.19 0.00 1.90 1.90 0.00 1.78 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.46 7.81 139 Q 6.95 4.13 0.00 1.80 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.55 0.00 0.00 0.00 0.00 0.00 1.16 1.86 0.00 140 F 8.24 4.95 0.00 3.20 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 0.00 141 G 8.25 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 142 G 9.97 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 T 8.36 4.71 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 0.00 144 I 8.35 4.87 1.11 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 1.02 0.06 0.51 0.00 0.00 145 S 9.49 4.86 0.00 3.65 3.22 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 0.00 146 S 7.99 4.66 0.00 3.68 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 0.00 147 F 9.53 4.85 0.00 2.92 2.98 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 0.00 148 A 8.86 4.87 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 0.00 149 I 8.33 4.65 1.92 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.76 0.89 0.00 0.00 150 S 8.23 4.82 0.00 3.90 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 0.00 151 H 8.84 5.14 0.00 3.07 3.23 0.00 5.67 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 E 8.87 4.32 0.00 2.01 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 2.33 2.37 0.00 153 H 8.91 4.33 0.00 3.23 3.15 0.00 5.61 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 *156 G 8.49 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 0.00 157 S 8.13 4.41 0.00 3.67 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 F 7.45 5.03 0.00 3.09 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 0.00 159 I 8.29 4.85 1.92 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 1.52 0.86 0.95 0.00 0.00 160 T 8.36 4.70 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 *162 K 8.91 4.39 0.00 1.95 1.84 0.00 1.49 0.00 0.00 1.74 0.00 0.00 2.76 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.51 7.81 163 P 0.00 5.10 0.00 1.95 1.98 0.00 3.69 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 1.98 2.09 0.00 164 A 8.08 4.54 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 L 8.34 4.14 0.00 1.70 1.66 0.96 1.03 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 0.00 166 P 0.00 4.64 0.00 1.91 2.00 0.00 3.71 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 2.08 2.11 0.00 167 V 8.82 4.55 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 1.05 0.00 0.00 168 H 9.48 5.38 0.00 3.15 3.17 0.00 5.81 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 Q 9.90 5.13 0.00 2.32 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.47 2.51 0.00 170 W 9.18 5.25 0.00 3.27 3.09 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 0.00 171 T 8.92 4.82 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 0.00 172 V 8.12 4.51 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 0.49 0.00 0.00 1.12 0.00 0.00 173 V 8.29 4.35 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 0.77 0.00 0.00 0.92 0.00 0.00 174 K 8.62 4.39 0.00 1.09 1.22 0.00 0.61 0.00 0.00 0.88 0.00 0.00 2.41 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.04 1.10 7.81 175 A 8.15 4.24 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 * Residues marked with a * may have inaccurate shift predictions.