NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.5463 8.3193 115.3157 58.4954 63.7602 172.3549 3 F 4.9249 7.7617 119.6300 55.5968 41.2635 170.7301 4 T 4.8206 9.1002 113.8495 60.2778 71.0418 173.6909 5 V 4.9287 8.7576 128.4604 61.6777 33.8628 174.4155 6 I 5.0506 8.5862 127.7847 59.6405 40.5807 174.4254 7 I 4.9092 9.4886 128.7763 58.0521 39.1969 173.1320 8 P 4.8850 0.0000 0.0000 62.1823 32.3813 175.9890 9 A 5.0092 9.0795 126.9792 49.7365 17.7883 175.4686 10 R 3.9753 8.0002 120.8525 55.8355 31.3178 176.1466 11 F 4.2439 8.8865 127.6312 60.9344 39.8027 175.6540 12 A 3.9559 7.9669 122.7875 52.6793 18.6849 176.8706 13 S 4.3468 8.0326 111.1656 57.6502 65.1174 175.4403 14 S 4.2469 9.0226 124.9959 62.0618 62.9888 175.9949 15 R 3.9481 8.1348 117.4443 58.7011 30.1773 177.1867 16 L 4.5532 7.7126 121.6759 51.8954 42.9089 174.3492 17 P 4.2851 0.0000 0.0000 63.3992 31.7942 176.8611 18 G 3.0664 7.4509 110.2759 47.1036 0.0000 176.1899 19 K 4.2109 7.2157 119.9975 58.3360 32.9001 176.2855 20 P 4.2386 0.0000 0.0000 65.4136 31.0993 176.8046 21 L 4.4994 8.1395 116.4686 53.9661 41.6223 176.4201 22 A 3.9854 8.0528 124.0733 52.4659 18.6989 176.9073 23 D 4.7634 8.5686 122.7555 54.1380 41.8700 176.2217 24 I 4.3517 8.3727 126.7374 60.2010 38.8847 175.2861 25 K 3.5431 9.5153 128.3970 57.3967 29.0899 177.1833 26 G 4.0510 8.7742 106.8376 45.1214 0.0000 173.9935 27 K 4.8397 7.6129 117.4370 53.6301 37.0769 175.3210 28 P 5.5252 0.0000 0.0000 61.7636 30.7629 179.2075 *30 I 4.1736 8.4334 108.2626 60.6804 39.3510 177.4442 31 Q 3.1725 7.9743 121.4933 58.9124 28.6127 178.0128 32 H 4.0446 8.1212 116.8762 58.8566 28.8829 177.7313 33 V 3.6288 7.8212 119.5694 65.8380 31.3611 177.5849 34 F 4.1816 8.4082 120.5421 61.5573 39.1544 177.0778 35 E 3.7121 8.4163 117.2861 58.8822 29.2304 179.2109 36 K 4.0219 7.9917 119.8233 59.4319 32.3243 178.8200 37 A 4.0089 7.9639 120.9804 54.9821 17.9736 179.5663 38 L 3.7743 7.3610 117.0682 57.6940 41.7440 178.7976 39 Q 4.3178 7.4028 114.9525 56.2015 28.9709 177.1086 40 S 4.2009 7.7371 116.1333 59.9575 63.3494 175.4106 41 G 4.0172 8.3307 107.1056 44.8446 0.0000 173.4150 42 A 2.8408 7.1282 121.6533 51.7144 18.7763 178.3578 43 S 4.3427 8.3765 116.5019 60.6511 63.8176 174.9873 44 R 4.6221 7.5615 118.7869 54.8713 33.5487 173.7016 45 V 4.9030 8.5149 125.2842 61.2430 34.0099 174.3945 46 I 4.8092 9.0815 128.9790 59.6236 40.6502 174.7228 47 I 4.6565 8.7707 128.3220 60.1777 38.3312 174.7070 48 A 4.9160 9.0083 131.1978 51.1826 20.0608 175.9598 49 T 4.9140 8.4694 116.5289 60.4717 71.3762 173.0354 50 D 5.1255 8.6461 118.0470 50.8195 40.4762 175.1095 51 N 4.9022 7.9812 117.9650 51.4867 42.4918 174.7489 52 E 3.9062 8.6247 126.9290 59.5589 29.6781 179.2596 53 N 4.2219 7.9681 115.9515 56.3529 38.5966 177.4596 54 V 3.6122 7.6274 118.8594 65.7867 31.6337 177.7089 55 A 3.8745 7.9178 120.5899 55.1251 18.2349 179.2792 56 D 4.1630 7.9691 117.2841 57.5233 40.8199 179.1280 57 V 3.4689 7.5903 118.3070 66.0880 31.4778 177.9078 58 A 2.0000 7.8738 120.4671 54.3048 18.0255 179.7733 59 K 3.8248 7.6630 117.3484 59.2433 31.9232 179.6580 60 S 4.1272 8.0239 114.4617 60.4022 62.7012 175.5113 61 F 4.9823 6.8787 116.7519 56.3412 38.3920 176.1302 62 G 3.8451 7.8802 105.2272 46.7388 0.0000 173.4836 63 A 4.5086 7.3200 120.8452 49.7616 20.5037 177.6776 64 E 4.1423 8.8152 123.1223 56.2180 30.9921 175.8439 65 V 4.8322 8.3041 119.0312 59.9678 35.2855 174.8615 66 C 5.0780 8.3349 125.1327 58.2866 34.6543 172.7321 *68 T 4.5169 8.3279 105.8907 61.2057 69.4624 172.9569 69 S 4.2559 8.7431 117.0841 58.5604 62.6880 175.5455 70 V 4.0304 8.2860 119.8451 63.2493 31.5242 176.7367 71 N 4.5620 7.9365 116.7490 54.7239 38.7636 175.3958 72 H 4.4899 7.5587 115.7566 55.9727 29.2097 175.1383 73 N 4.8038 9.4012 119.6234 53.7749 39.4248 175.4666 74 S 4.7425 7.5307 112.4086 56.1283 66.8740 175.5795 75 G 3.6518 8.5841 109.0927 48.2566 0.0000 176.0127 76 T 3.7685 7.8595 117.8375 66.5030 68.5248 176.5620 77 E 4.0018 7.8304 119.8204 59.2317 29.5770 179.4268 78 R 3.6424 7.7990 118.8174 59.3739 30.1742 178.6774 79 L 4.0347 8.5485 118.6552 57.3653 41.4203 179.3017 80 A 3.9082 7.5936 120.7539 55.0262 18.2776 179.2893 81 E 3.8960 7.6580 116.6842 59.1768 29.6312 179.2007 82 V 3.5457 7.5754 118.0365 66.0119 31.5953 178.0610 83 V 3.5548 8.1092 118.4403 65.9695 31.2534 177.6912 84 E 3.8647 7.9846 118.5939 59.0023 29.3610 178.3503 85 K 3.7807 8.2489 119.0858 59.5305 32.2095 177.2339 86 L 4.3036 8.2158 115.5545 53.6060 41.9697 176.9354 87 A 3.7369 7.4691 120.5045 53.0953 16.3031 177.9735 88 I 4.1599 7.8132 122.0277 59.2284 38.8475 175.3816 89 P 4.3367 0.0000 0.0000 62.8902 31.9338 177.0462 90 D 4.5051 8.8590 121.6719 57.4433 40.9073 178.3257 91 N 4.4727 8.0267 114.3650 54.2407 38.1878 174.8932 92 E 4.1306 8.0328 122.1688 56.4615 31.0173 175.7373 93 I 4.4916 8.5484 127.6028 61.0538 38.8901 174.6160 94 I 5.2161 8.8311 127.4237 59.5097 40.5745 174.6236 95 V 4.7720 8.7216 126.4775 61.2255 33.8968 173.8481 96 N 5.3620 9.5680 128.5889 52.0726 39.9243 173.9596 97 I 4.5707 8.2652 128.5699 59.4343 39.1254 175.3443 98 Q 4.1293 8.6625 127.2844 56.0063 29.4868 178.3494 99 G 3.9656 8.7572 109.9270 47.5206 0.0000 173.5237 100 D 5.0699 8.1532 119.6892 53.0463 40.3689 176.2575 101 E 4.8472 7.7407 118.4808 54.9505 29.1393 174.8787 102 P 4.4711 0.0000 0.0000 64.1269 32.2049 177.8586 103 L 4.6107 7.5639 117.4675 54.2536 42.4457 175.8877 104 I 3.7491 7.2854 120.0838 59.9787 38.1739 174.0312 105 P 4.4108 0.0000 0.0000 62.0045 31.9506 175.4509 106 P 4.2667 0.0000 0.0000 65.7557 31.6617 178.9374 107 V 3.6794 7.8819 118.2292 64.7671 31.1795 178.2442 108 I 3.7788 7.6175 113.4483 63.1064 37.3888 178.4421 109 V 3.4841 7.5130 120.6848 66.0215 31.3869 177.9084 110 R 3.4058 7.8523 117.9405 59.1197 29.9728 177.9647 111 Q 3.8982 7.6515 119.5985 59.2926 28.8409 178.6190 112 V 3.5904 7.5862 117.7020 65.8704 31.5041 177.5341 113 A 4.0067 7.5551 120.2597 55.1416 17.9751 179.3034 114 D 4.1353 8.0887 117.3268 57.1130 40.9818 178.4071 115 N 4.5389 8.1363 116.7339 55.3891 38.4250 177.2885 116 L 4.0019 7.5107 120.7456 57.6711 41.6221 179.2255 117 A 3.9149 7.8355 120.0493 55.1590 18.3397 179.3553 118 K 3.4778 7.2999 115.3792 59.1808 32.0715 178.0244 119 F 4.7611 7.6950 113.2085 56.4241 39.9264 175.0225 120 N 4.2605 7.8568 117.1035 54.8588 35.9608 173.8066 121 V 4.5641 7.7507 109.1613 59.8541 35.7305 175.5205 122 N 4.6300 8.3949 117.1788 53.7330 38.8810 174.9566 *124 A 4.4405 7.8960 120.2585 52.4559 20.8764 176.5028 125 S 4.9372 9.0194 113.3716 57.4288 66.8490 172.0018 126 L 5.5282 8.1803 118.4321 53.3793 46.2325 175.3042 127 A 5.0059 8.4789 119.3554 51.3306 23.0276 175.8767 128 V 4.7249 8.3890 112.4462 59.1291 35.5903 175.8269 129 K 4.6067 8.5981 121.6278 56.6315 33.0370 176.3158 130 I 4.4129 8.0786 123.2271 60.2237 38.3167 175.4814 131 H 4.7864 9.0298 122.8913 56.0630 30.9422 174.8683 132 D 4.9469 7.7682 118.8231 52.2889 43.6066 177.1359 133 A 4.0765 8.5737 125.4919 55.2915 18.2391 179.6747 134 E 3.9474 8.1683 115.9120 59.7623 29.9974 178.7913 135 E 4.0758 8.1303 118.7029 59.1131 29.5690 178.3603 136 L 3.8487 7.5314 119.2311 57.8524 42.2078 178.2289 137 F 4.3263 8.0897 114.9010 56.8810 39.4708 175.1302 138 N 4.5853 7.6119 119.2100 52.3048 38.9509 173.9979 139 P 4.3596 0.0000 0.0000 65.3959 31.6364 177.4439 140 N 4.3635 8.9012 114.8362 54.8215 38.6919 174.9050 141 A 4.2994 7.7041 121.8394 50.8671 18.9028 176.8354 142 V 3.9771 8.2842 123.6848 63.0858 32.8491 175.3419 143 K 5.5401 9.4638 127.9629 54.8371 34.2448 176.0285 144 V 4.8435 8.0255 121.0825 60.1002 34.5705 174.1078 145 L 4.8322 8.3958 122.0294 54.3166 43.9611 175.2568 146 T 4.8934 8.2108 110.5718 59.9310 73.0719 172.2637 147 D 4.8360 8.5955 121.5672 51.6133 41.5567 176.9128 148 K 3.8345 8.5771 117.1942 60.0122 32.2369 177.1265 149 D 4.4030 8.1391 116.9722 53.9345 41.2508 177.0902 150 G 3.5592 7.9533 109.2655 44.8286 0.0000 173.5647 151 Y 4.7436 7.2059 118.2595 57.8381 38.2963 175.4844 152 V 3.8540 8.7269 126.2111 63.6768 31.6427 175.6269 153 L 4.3722 9.1014 129.1072 57.1006 42.3020 176.2752 154 Y 5.0747 7.4783 117.3782 56.6858 42.3186 172.4257 155 F 5.0446 7.5613 121.8391 55.8268 41.8974 174.5727 156 S 4.6624 8.9213 116.0401 57.7755 65.8011 175.4358 157 R 4.2953 9.1112 122.8423 57.2335 30.4369 177.3863 158 S 4.2821 7.8053 112.6362 57.4824 62.9251 174.3970 159 V 3.7802 8.0901 124.6206 62.3123 29.9527 174.9739 160 I 4.9732 7.8659 119.0487 57.9578 40.5745 173.8700 161 P 4.5206 0.0000 0.0000 62.5371 32.0562 175.1350 162 Y 4.4205 8.5384 121.4548 57.4876 39.4239 174.9644 163 D 4.2828 7.6364 127.1916 52.2253 40.3078 176.4405 164 R 3.8859 8.3215 125.7636 59.3664 30.2450 177.9381 165 D 4.4631 7.9261 115.1261 56.3076 41.1061 176.8709 166 Q 4.3662 7.3898 117.8408 57.0068 30.4212 175.3343 167 F 4.9708 7.9250 117.1038 58.0614 39.3110 176.0960 *169 N 4.6330 8.0136 113.9930 52.4453 39.8972 174.7050 170 L 3.9420 7.6998 120.5445 55.7980 42.3703 176.4385 171 Q 4.0819 8.7934 127.7327 58.1533 29.6636 175.4076 172 D 4.6551 7.6966 117.1493 52.0978 43.5231 175.9565 173 V 3.5730 8.4065 126.5478 65.3056 31.7350 176.6441 174 Q 4.1359 7.4505 117.2323 57.5872 28.8942 176.2806 175 K 4.3389 7.6419 118.1465 56.0543 32.0077 176.0040 176 V 3.8633 7.5545 117.5861 62.0169 31.9213 175.0960 177 Q 4.4851 8.4635 127.9104 53.8069 29.9307 174.7176 178 L 4.3050 8.4286 125.5094 54.7381 42.3807 177.4154 179 S 4.7144 8.4993 116.0397 57.2153 64.9810 174.9672 180 D 4.7426 8.3282 121.4808 54.3093 38.0297 176.3561 181 A 4.4616 7.6088 116.9902 51.5349 21.7087 175.4066 182 Y 4.7948 7.7597 114.7837 56.4693 41.1260 174.7820 183 L 5.1876 8.3340 121.8392 53.0082 46.1535 175.1354 184 R 4.8739 9.1109 124.5433 55.2155 31.8480 174.6222 185 H 4.9299 9.2607 127.4588 56.0193 30.6125 174.5858 186 I 3.9081 8.1145 127.1462 60.3215 38.2229 177.5266 187 G 3.7476 8.9882 115.2193 45.1366 0.0000 171.5448 188 I 5.0149 6.4843 120.6383 60.1509 41.6533 173.5456 189 Y 5.0258 9.1012 125.6774 56.0987 42.4494 173.9085 190 A 5.2641 8.3903 124.2269 50.3820 21.5520 175.3189 191 Y 5.0000 9.2535 118.6588 56.0614 41.7803 174.7000 192 R 4.6121 8.8301 120.8867 56.0032 31.4292 177.3179 193 A 4.0214 8.9607 123.7837 55.7934 18.3387 180.7652 194 G 3.5647 8.3357 104.0314 47.8725 0.0000 175.7540 195 F 4.1543 8.5005 123.1514 60.9131 39.4041 177.4296 196 I 3.2313 7.4835 119.2067 64.0367 36.6491 178.2846 197 K 3.8406 7.4635 117.9846 59.4282 32.1331 178.8701 198 Q 3.5938 7.4724 119.5565 58.7451 28.8782 177.3592 199 Y 3.3563 7.1232 120.7653 60.7322 38.6374 178.5484 200 V 3.8632 7.3134 109.5849 63.0856 31.7743 177.8408 201 Q 4.0982 7.3712 117.6577 56.8643 29.0098 176.5265 202 W 4.5547 6.8061 118.7150 56.1416 29.8291 175.7416 203 A 4.3740 8.3466 123.7054 50.6724 19.0258 176.0079 204 P 4.4162 0.0000 0.0000 63.2462 31.6824 176.5793 205 T 4.4857 8.3114 111.6665 59.7846 72.5582 175.4879 206 Q 3.9142 8.0698 122.2703 58.9017 29.2606 177.8894 207 L 3.9174 7.5465 121.3258 58.2477 42.1574 178.7941 208 E 4.1474 8.1423 117.2972 59.4533 29.2380 178.6593 209 N 4.4560 7.5580 115.4942 55.4525 38.7011 177.3550 210 L 4.1322 7.8222 120.0451 58.0364 41.9669 179.0056 211 E 4.1041 7.9457 116.3237 56.6673 30.1072 176.6857 212 K 3.8345 8.2424 116.4030 57.6001 29.3904 177.2453 213 L 4.6429 7.5061 118.4994 52.0214 44.0710 177.3787 214 E 4.0854 8.9492 124.3180 59.5937 29.0921 178.7418 215 Q 4.1454 7.8938 116.9577 58.1195 28.6769 177.7496 216 L 4.2486 8.1564 121.2674 57.0428 41.7757 178.9353 217 R 3.9141 7.9832 119.2362 59.0350 29.9261 178.6369 218 V 3.6753 7.8477 118.3028 66.1413 31.7023 178.0668 219 L 4.0817 8.0465 118.2710 58.0157 41.3340 178.6754 220 Y 4.1088 8.2790 118.9153 60.2047 38.6458 176.7645 221 N 4.4369 7.4488 115.2077 52.4116 39.1473 175.2622 222 G 3.8036 7.5253 106.9012 46.4294 0.0000 173.3954 223 E 4.6702 7.8630 120.3807 54.2211 30.8891 175.6658 224 R 4.2802 8.6076 127.2936 56.3176 31.3395 175.3730 225 I 4.7993 8.4220 125.1137 59.8051 41.3692 173.4446 226 H 5.2007 8.9964 125.6248 54.3879 32.2665 172.9594 227 V 5.2585 7.8536 124.7608 59.9980 34.1911 174.1113 228 E 4.6140 8.5031 127.2585 53.9826 32.9988 174.2049 229 L 4.6808 8.4652 127.6136 54.9373 42.7502 175.7722 230 A 4.8141 8.9117 128.3445 50.1756 21.5267 175.6810 231 K 4.4081 8.3738 119.8197 55.6153 34.4098 174.4339 232 E 3.6256 8.7472 126.7734 55.8831 24.9508 174.3293 233 V 3.4803 7.4172 119.5104 62.8045 31.9924 175.9895 234 P 4.5673 0.0000 0.0000 62.1248 32.9522 175.9162 235 A 4.7851 7.7052 119.9310 50.0667 21.9685 175.0904 236 V 4.4519 7.9383 119.3146 61.9995 34.7161 174.2618 237 G 3.6207 8.8500 114.1758 46.1727 0.0000 172.7453 238 V 4.2327 8.0128 123.3480 61.4659 32.2163 174.2553 239 D 4.8314 9.1529 127.5755 54.1546 43.1478 177.1255 240 T 4.6647 7.6934 107.9500 59.1410 73.0343 174.6215 241 A 4.0052 8.3849 122.5640 55.1679 18.2803 179.5909 242 E 3.8772 8.0786 117.5223 59.6333 29.8580 178.6198 243 D 4.3972 8.1046 118.8999 57.1237 40.7812 178.5510 244 L 3.9531 7.6632 120.7290 58.2249 42.1368 178.8693 245 E 4.0836 8.0193 117.7435 58.6365 29.3735 179.2059 246 K 3.9467 7.9132 120.3844 59.3989 32.1299 179.0768 247 V 3.5938 7.8298 118.5854 66.0688 31.4753 178.2535 248 R 3.9162 8.0132 117.6487 58.9949 29.8602 179.0262 249 A 3.9489 8.0728 120.5991 55.3274 18.3103 179.7881 250 I 3.7775 7.6674 116.3217 63.6380 37.1101 177.7596 251 L 4.3733 7.3109 118.7402 56.5267 42.3389 178.1605 252 A 4.1085 8.3131 120.1248 54.5663 19.0195 177.7469 253 A 4.2653 8.3938 120.5640 57.9109 18.3652 177.1797 254 N 4.4064 7.0468 123.3049 52.8760 37.9398 175.2533 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 S 8.32 4.55 0.00 3.89 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 3 F 7.76 4.92 0.00 3.39 3.10 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 0.00 0.00 0.00 0.00 4 T 9.10 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 1.35 0.00 0.00 5 V 8.76 4.93 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 1.18 0.00 0.00 6 I 8.59 5.05 1.97 0.00 0.00 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 1.30 0.99 1.02 0.00 0.00 7 I 9.49 4.91 2.01 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.55 1.08 0.00 0.00 8 P 0.00 4.88 0.00 2.17 2.24 0.00 3.93 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.15 0.00 9 A 9.08 5.01 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 10 R 8.00 3.98 0.00 1.84 1.89 0.00 3.29 0.00 0.00 3.19 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.86 0.00 11 F 8.89 4.24 0.00 3.05 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 12 A 7.97 3.96 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 13 S 8.03 4.35 0.00 3.71 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 14 S 9.02 4.25 0.00 3.89 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 R 8.13 3.95 0.00 1.83 2.07 0.00 3.14 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 16 L 7.71 4.55 0.00 1.63 1.51 0.94 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.29 0.00 1.98 1.94 0.00 3.76 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 1.99 2.03 0.00 18 G 7.45 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.22 4.21 0.00 1.97 1.64 0.00 1.62 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.41 1.40 7.81 20 P 0.00 4.24 0.00 2.33 2.26 0.00 3.59 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 2.13 2.27 0.00 21 L 8.14 4.50 0.00 1.86 1.83 1.10 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 22 A 8.05 3.99 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 D 8.15 5.07 0.00 3.00 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 0.00 101 E 7.74 4.85 0.00 1.96 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 102 P 0.00 4.47 0.00 2.11 2.15 0.00 3.76 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.95 0.00 103 L 7.56 4.61 0.00 1.61 1.67 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 104 I 7.29 3.75 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.72 0.99 0.00 0.00 105 P 0.00 4.41 0.00 2.25 2.16 0.00 3.75 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.98 0.00 106 P 0.00 4.27 0.00 2.20 2.16 0.00 3.60 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 2.10 2.17 0.00 107 V 7.88 3.68 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 1.00 0.00 0.00 0.93 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 E 8.17 3.95 0.00 1.96 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 2.29 2.36 0.00 135 E 8.13 4.08 0.00 2.04 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 0.00 2.36 2.36 0.00 136 L 7.53 3.85 0.00 1.34 1.63 0.68 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 137 F 8.09 4.33 0.00 3.00 3.03 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 0.00 138 N 7.61 4.59 0.00 2.94 2.85 0.00 0.00 7.10 7.11 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 0.00 139 P 0.00 4.36 0.00 2.10 2.12 0.00 3.75 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.14 0.00 140 N 8.90 4.36 0.00 2.79 2.88 0.00 0.00 6.93 7.39 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 0.00 141 A 7.70 4.30 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 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7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.71 0.00 193 A 8.96 4.02 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 0.00 194 G 8.34 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 195 F 8.50 4.15 0.00 3.17 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 0.00 196 I 7.48 3.23 1.77 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.40 0.60 0.00 0.00 197 K 7.46 3.84 0.00 1.82 1.75 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.56 7.81 198 Q 7.47 3.59 0.00 1.81 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.76 0.00 0.00 0.00 0.00 0.00 1.81 1.16 0.00 199 Y 7.12 3.36 0.00 2.71 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 0.00 200 V 7.31 3.86 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 0.91 0.00 0.00 0.92 0.00 0.00 201 Q 7.37 4.10 0.00 1.91 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.94 6.93 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 202 W 6.81 4.55 0.00 3.43 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 203 A 8.35 4.37 1.26 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 0.00 0.00 204 P 0.00 4.42 0.00 2.03 2.01 0.00 3.63 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 205 T 8.31 4.49 3.63 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 1.08 0.00 0.00 206 Q 8.07 3.91 0.00 2.05 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.91 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 207 L 7.55 3.92 0.00 1.45 1.57 1.14 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 208 E 8.14 4.15 0.00 2.41 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 2.40 2.35 0.00 209 N 7.56 4.46 0.00 2.86 2.91 0.00 0.00 7.06 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 0.00 210 L 7.82 4.13 0.00 1.79 1.75 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 211 E 7.95 4.10 0.00 2.01 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 2.44 2.62 0.00 212 K 8.24 3.83 0.00 1.95 1.97 0.00 1.68 0.00 0.00 1.81 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.56 7.81 213 L 7.51 4.64 0.00 1.62 1.69 0.94 0.83 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 0.00 214 E 8.95 4.09 0.00 2.22 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 2.36 2.18 0.00 215 Q 7.89 4.15 0.00 1.99 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.96 0.00 0.00 0.00 0.00 0.00 1.85 1.16 0.00 216 L 8.16 4.25 0.00 1.87 1.88 1.09 0.71 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 0.00 217 R 7.98 3.91 0.00 2.06 1.96 0.00 2.21 0.00 0.00 2.93 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.52 0.00 218 V 7.85 3.68 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 1.47 0.00 0.00 1.50 0.00 0.00 219 L 8.05 4.08 0.00 1.93 1.86 1.30 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 220 Y 8.28 4.11 0.00 3.02 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 221 N 7.45 4.44 0.00 1.44 1.65 0.00 0.00 7.02 7.25 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 0.00 222 G 7.53 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 0.00 223 E 7.86 4.67 0.00 2.28 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.98 2.47 0.00 224 R 8.61 4.28 0.00 1.74 1.69 0.00 2.21 0.00 0.00 2.74 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.45 0.00 225 I 8.42 4.80 2.11 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.04 1.18 0.00 0.00 226 H 9.00 5.20 0.00 3.42 3.21 0.00 5.61 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 227 V 7.85 5.26 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 1.11 0.00 0.00 0.99 0.00 0.00 228 E 8.50 4.61 0.00 2.04 1.73 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 2.25 2.23 0.00 229 L 8.47 4.68 0.00 1.62 1.51 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 230 A 8.91 4.81 1.18 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 0.00 0.00 231 K 8.37 4.41 0.00 1.68 1.67 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.48 7.81 232 E 8.75 3.63 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 2.20 2.28 0.00 233 V 7.42 3.48 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 0.75 0.00 0.00 0.97 0.00 0.00 234 P 0.00 4.57 0.00 2.19 2.21 0.00 3.70 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 1.91 1.94 0.00 235 A 7.71 4.79 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 0.00 236 V 7.94 4.45 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 0.91 0.00 0.00 237 G 8.85 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 238 V 8.01 4.23 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 0.82 0.00 0.00 0.95 0.00 0.00 239 D 9.15 4.83 0.00 2.68 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 240 T 7.69 4.66 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 1.25 0.00 0.00 241 A 8.38 4.01 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 0.00 242 E 8.08 3.88 0.00 2.04 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 2.37 2.39 0.00 243 D 8.10 4.40 0.00 2.86 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 244 L 7.66 3.95 0.00 1.85 1.87 0.90 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 245 E 8.02 4.08 0.00 2.18 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.45 0.00 246 K 7.91 3.95 0.00 1.88 2.01 0.00 1.52 0.00 0.00 1.57 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.48 7.81 247 V 7.83 3.59 2.19 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 0.93 0.00 0.00 0.94 0.00 0.00 248 R 8.01 3.92 0.00 1.91 1.96 0.00 3.17 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 249 A 8.07 3.95 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 0.00 250 I 7.67 3.78 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 1.52 0.85 0.91 0.00 0.00 251 L 7.31 4.37 0.00 1.70 1.71 0.91 0.95 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 0.00 252 A 8.31 4.11 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 0.00 253 A 8.39 4.27 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 0.00 254 N 7.05 4.41 0.00 2.74 2.78 0.00 0.00 7.04 7.56 0.00 0.00 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.