NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 41 G 3.8970 8.4545 109.7361 45.2829 0.0000 175.4889 42 T 4.4749 7.5105 111.0443 59.1158 68.9307 173.2172 43 E 4.2467 7.8208 123.6419 56.6545 31.3462 176.9319 44 N 5.1045 8.5602 120.6471 52.2444 38.0972 173.3043 45 L 4.6404 7.5327 119.6787 54.0428 44.0935 175.0613 46 Y 4.6939 8.1420 122.0352 56.3045 41.7307 174.5073 47 F 4.9554 8.8016 122.3942 55.8990 41.1773 175.0017 48 Q 4.5906 8.3655 123.7850 55.4066 32.3145 174.9425 49 S 3.6902 8.6375 116.7744 60.0829 61.8052 170.6391 50 M 4.7773 7.7068 116.7599 54.2739 35.7294 174.0530 51 D 4.9479 8.0950 121.2816 50.9610 42.8674 175.3698 52 P 4.1567 0.0000 0.0000 66.0451 31.5299 178.4748 53 A 3.9883 7.9139 118.5865 55.4168 18.4351 179.4103 54 E 3.8885 8.2592 116.1142 59.1261 29.1205 179.1080 55 L 3.8298 8.0088 120.3681 57.4155 42.2410 178.7051 56 S 4.0975 8.6364 114.1025 61.2138 62.2100 176.2743 57 T 3.8544 7.8130 112.3792 64.8119 68.7677 176.2327 58 Q 3.6875 7.5793 122.3594 58.7402 28.6713 178.4235 59 L 4.4992 7.3449 116.7381 55.4553 42.4587 177.9227 60 S 4.6124 7.7460 112.7489 57.5511 64.4000 174.3257 61 A 4.1629 8.2439 125.7678 51.4181 19.0584 175.8021 62 P 4.6295 0.0000 0.0000 62.8260 32.6377 175.6964 63 G 4.2473 8.8763 106.9370 45.5775 0.0000 172.3380 64 V 4.9282 8.2848 113.8467 59.3657 34.2906 175.3677 65 L 4.6367 8.8938 124.1429 52.7453 44.5490 175.9382 66 K 4.3976 8.6488 124.1487 56.0780 32.6856 176.6475 67 V 4.6275 8.6269 126.9102 61.5352 33.3909 175.5977 68 F 5.0243 9.8414 128.0873 56.7461 41.7752 174.1746 69 G 4.1667 8.3852 106.7319 44.8106 0.0000 172.3572 70 D 4.5870 8.9923 118.6264 58.2813 40.8978 177.2706 71 S 5.1972 8.2850 117.9132 60.1700 64.2880 175.7545 *74 T 4.0602 7.4482 109.1754 59.4024 69.3814 175.3134 75 G 4.0887 7.9889 111.8082 45.4438 0.0000 172.7988 76 T 4.8579 8.5558 105.5915 61.3943 69.3543 173.2716 77 H 4.8545 8.2994 118.9314 54.5706 30.5760 173.4635 78 Y 4.6992 7.4549 120.3484 54.9222 41.0629 174.6592 79 K 4.3545 8.1231 119.4680 54.4522 34.9672 175.8142 80 S 4.7736 8.6735 121.4094 58.4365 63.8198 173.6415 81 V 4.4095 8.8366 124.8894 60.8719 34.0053 174.6141 82 L 4.7729 8.7930 127.5799 54.8579 42.6662 175.8157 83 A 4.8545 9.0318 123.7872 51.1051 23.7248 174.4416 84 T 5.1333 8.2082 108.4786 58.4672 72.5032 175.4087 85 G 3.8967 8.8526 109.2325 47.3808 0.0000 174.4655 86 T 4.2508 7.5151 115.0487 64.5305 69.1240 175.5749 87 S 4.3467 7.9403 119.5027 58.5943 63.3278 174.4291 88 S 4.5162 9.1258 120.9403 57.6531 65.0998 175.1898 89 A 3.8379 8.2963 124.6242 55.2166 18.1457 180.2423 90 R 3.8417 7.9615 117.2292 59.5426 30.1870 178.6132 91 E 3.9720 8.0386 118.0105 59.5743 29.5148 179.4678 92 L 4.0461 8.0079 118.8625 57.3704 41.5799 179.7819 93 V 3.5937 8.1474 118.8609 65.8833 31.5127 177.9091 94 K 3.8555 7.8219 117.7859 59.6892 31.9559 178.7600 95 E 3.8861 8.2965 118.9237 59.2670 29.5535 178.5911 96 A 4.0179 8.1369 120.7479 55.2818 18.4765 179.6897 97 L 3.9238 8.0915 117.4534 57.6584 41.8112 179.0231 98 E 3.9056 8.1234 119.3707 59.7102 29.3327 179.3087 99 R 3.9849 7.9092 116.1231 58.7814 30.2124 177.6974 100 Y 4.1358 7.8011 114.0734 57.7029 38.0245 175.9929 101 A 3.6984 7.5766 121.5586 52.4274 17.0527 177.9820 102 L 4.2784 7.4922 117.0316 54.4646 43.1308 175.4839 103 D 4.7582 8.2526 118.6414 52.1623 41.6198 175.0032 104 P 4.3499 0.0000 0.0000 65.1341 31.7618 178.6590 105 R 3.8995 8.2004 117.4560 59.3756 30.1909 177.4190 106 Q 4.3818 8.2760 113.3458 56.0235 29.2008 177.0427 107 A 4.0189 8.3906 124.4978 55.8804 18.2576 180.5187 108 G 3.8002 8.2466 102.0362 47.5300 0.0000 173.7392 109 Q 4.4788 8.8214 117.7737 55.9070 28.9835 174.1694 110 Y 5.2055 7.9275 116.0390 56.6896 41.5718 175.0923 111 V 4.6202 9.1128 118.9020 60.5821 35.2939 173.0802 112 L 5.0865 8.6613 124.7853 54.3640 44.0088 174.7516 113 C 5.0743 8.9934 123.0113 58.0407 32.0607 172.9719 114 D 5.0919 8.6851 123.9828 53.3057 41.1193 174.1815 115 V 4.8220 9.0972 126.4216 61.3726 33.5618 174.6874 116 V 4.9567 9.0505 121.9792 59.2818 33.9786 174.1232 117 G 3.1561 8.9803 114.6287 44.9487 0.0000 173.9574 *126 W 4.8093 8.8283 135.0000 57.5718 31.0104 174.8736 127 Q 4.1784 7.5112 122.7779 52.4741 30.9056 170.8794 128 A 3.6602 7.9907 126.6480 51.2115 19.1191 176.6147 129 R 4.4869 8.3066 120.7806 57.5378 32.8500 175.9205 130 C 4.8478 7.8285 116.3198 58.5297 35.0331 172.5508 131 F 5.4289 7.9433 117.8615 55.9381 41.0510 172.9878 132 R 4.4972 8.6614 118.4416 54.4535 33.2176 173.9188 133 V 4.4224 8.3190 126.0321 62.0270 32.5992 175.4010 134 F 4.5498 8.8285 127.7966 57.1685 39.4783 176.0248 135 G 3.8497 10.1977 113.5315 45.2352 0.0000 174.2545 136 D 4.3613 8.8009 120.5672 57.3136 40.9173 178.5923 137 S 4.5040 7.8583 111.4394 58.6690 63.5164 174.1501 138 E 4.1447 8.0947 121.2854 56.1448 30.0395 176.2770 139 K 4.7875 7.9622 121.6326 53.2989 32.9050 175.2607 140 P 3.9592 0.0000 0.0000 64.9076 31.2156 178.1017 141 L 4.0655 7.8906 119.0554 58.0596 42.1295 178.8355 142 L 4.2125 7.9246 118.5191 57.6730 41.8338 179.1680 143 I 4.2258 7.9907 119.7921 64.3593 36.8313 177.8382 144 Q 4.1651 8.5296 119.9769 59.7096 28.8985 178.4146 145 E 4.1416 7.8830 117.7861 59.3756 29.6625 178.8612 146 L 4.1606 7.8877 116.5313 54.3559 42.5297 176.9653 147 W 4.9926 7.8709 117.2686 54.7443 32.3662 174.6744 148 K 4.8448 8.4587 119.1882 53.8246 35.7955 174.5370 149 P 4.3799 0.0000 0.0000 62.3050 32.0323 176.5613 150 R 3.8829 8.7262 122.0049 56.3910 30.4518 175.1680 151 E 4.0954 8.7630 122.3861 58.4654 29.9188 175.7168 152 G 4.2258 9.2084 112.3687 45.8896 0.0000 173.9689 153 L 4.6052 7.5254 118.1314 53.5320 43.0717 175.3631 154 S 4.9722 8.7058 114.3903 56.7839 67.0264 172.4029 155 R 5.3050 8.5997 119.4522 54.8269 32.6770 174.9964 156 R 4.5021 9.1525 123.6518 54.6641 34.9199 174.1855 157 F 5.4592 9.0698 122.9692 57.4593 40.5274 174.3158 158 E 5.3697 9.2849 122.8241 54.4107 33.0867 174.8872 159 L 4.8415 9.1882 126.3075 54.9711 43.2269 176.1376 160 R 4.8038 8.9275 123.1953 54.8035 35.4516 174.3207 161 K 3.9605 8.5510 123.7222 55.7919 33.1779 177.3385 162 R 3.9061 8.4698 126.9018 59.8665 30.1621 179.2227 163 S 4.0750 8.0129 112.8711 61.6307 62.5468 175.9824 164 D 4.4045 7.7892 121.6721 56.6496 40.8388 178.6989 165 V 3.8789 7.5602 118.8875 66.0030 31.7884 177.7167 166 E 3.9832 8.4450 117.7874 59.5204 29.3813 178.6558 167 E 3.9527 8.2108 119.9407 58.6634 29.6709 178.4591 168 L 4.0682 8.0711 120.3639 57.4997 42.0772 178.6409 169 A 4.0139 7.8873 120.3268 55.0092 18.5908 178.8264 170 A 3.9068 7.9995 119.1472 55.4941 18.3973 179.5728 171 K 3.8150 8.1278 117.9417 59.8314 32.2263 178.6782 172 E 4.0483 8.0989 117.4455 59.0679 29.6650 179.0729 173 V 3.5825 7.9652 119.5046 66.0579 31.4453 177.7277 174 D 4.3825 7.9935 118.4502 57.3342 40.8341 178.6499 175 T 3.8818 7.9820 113.8390 64.8790 67.2887 176.5063 176 I 3.6769 7.7807 121.8529 64.8119 37.2319 178.5820 177 T 3.8680 8.0396 116.2826 66.3746 68.1624 176.6580 178 A 4.0709 8.4398 123.2829 55.2283 18.4861 179.7551 179 G 3.6376 7.9201 103.7592 48.2214 0.0000 175.9289 180 I 3.9667 7.8164 121.9466 64.2595 37.0406 178.2725 181 N 4.4232 8.3495 116.8418 55.5800 38.2779 177.5011 182 A 3.9324 8.2266 122.9047 55.1869 18.5853 179.2061 183 Q 3.9049 8.0656 116.2716 59.3629 28.9376 179.7131 184 A 3.9931 8.0482 121.1661 55.3229 18.1917 179.9960 185 R 3.8229 7.5888 115.1986 59.2419 30.2581 178.5995 186 R 4.0419 7.6798 117.4408 59.7480 30.1132 178.0071 187 L 4.1382 7.6873 117.7242 58.0084 41.5520 179.0466 188 Q 4.4086 7.7399 114.1445 56.9132 28.6781 176.6275 189 R 4.1930 7.6921 125.2162 56.5361 31.4438 174.7162 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 41 G 8.45 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 T 7.51 4.47 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 43 E 7.82 4.25 0.00 1.85 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 2.42 2.36 0.00 44 N 8.56 5.10 0.00 2.87 2.88 0.00 0.00 5.98 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 L 7.53 4.64 0.00 1.48 1.38 1.09 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 46 Y 8.14 4.69 0.00 2.93 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 47 F 8.80 4.96 0.00 3.12 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 48 Q 8.37 4.59 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.72 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 49 S 8.64 3.69 0.00 4.14 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 50 M 7.71 4.78 0.00 1.93 1.99 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.39 0.00 51 D 8.09 4.95 0.00 2.91 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.16 0.00 2.16 2.17 0.00 3.59 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 53 A 7.91 3.99 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 E 8.26 3.89 0.00 2.15 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 2.35 2.33 0.00 55 L 8.01 3.83 0.00 1.66 1.80 0.63 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 56 S 8.64 4.10 0.00 3.92 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 57 T 7.81 3.85 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 1.24 0.00 0.00 58 Q 7.58 3.69 0.00 2.16 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.67 0.00 0.00 0.00 0.00 0.00 1.52 2.35 0.00 59 L 7.34 4.50 0.00 1.70 1.71 0.97 0.84 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 60 S 7.75 4.61 0.00 3.91 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 61 A 8.24 4.16 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 62 P 0.00 4.63 0.00 1.94 1.99 0.00 3.70 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 63 G 8.88 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 0.00 0.00 0.00 0.00 64 V 8.28 4.93 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 0.74 0.00 0.00 0.90 0.00 0.00 65 L 8.89 4.64 0.00 1.76 1.65 0.99 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 66 K 8.65 4.40 0.00 1.48 1.14 0.00 1.29 0.00 0.00 0.61 0.00 0.00 2.44 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.90 1.15 7.81 67 V 8.63 4.63 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 1.20 0.00 0.00 1.16 0.00 0.00 68 F 9.84 5.02 0.00 3.01 3.04 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 0.00 0.00 0.00 69 G 8.39 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 D 8.99 4.59 0.00 2.63 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 71 S 8.28 5.20 0.00 4.15 4.12 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 0.00 0.00 0.00 *74 T 7.45 4.06 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 75 G 7.99 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 0.00 0.00 0.00 76 T 8.56 4.86 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 1.32 0.00 0.00 77 H 8.30 4.85 0.00 3.09 3.14 0.00 5.83 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 78 Y 7.45 4.70 0.00 1.99 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 79 K 8.12 4.35 0.00 1.14 1.34 0.00 1.38 0.00 0.00 1.30 0.00 0.00 2.45 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.66 0.21 7.81 80 S 8.67 4.77 0.00 3.75 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 0.00 81 V 8.84 4.41 2.23 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 1.03 0.00 0.00 0.93 0.00 0.00 82 L 8.79 4.77 0.00 1.72 1.57 0.91 0.75 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 83 A 9.03 4.85 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 84 T 8.21 5.13 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 85 G 8.85 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 T 7.52 4.25 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 1.22 0.00 0.00 87 S 7.94 4.35 0.00 3.96 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 S 9.13 4.52 0.00 4.24 3.97 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 89 A 8.30 3.84 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 R 7.96 3.84 0.00 1.93 1.93 0.00 3.12 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 1.63 1.68 0.00 91 E 8.04 3.97 0.00 2.23 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 2.33 2.35 0.00 92 L 8.01 4.05 0.00 1.79 1.72 0.88 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 93 V 8.15 3.59 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 1.13 0.00 0.00 1.08 0.00 0.00 94 K 7.82 3.86 0.00 2.09 1.86 0.00 1.85 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.48 7.81 95 E 8.30 3.89 0.00 2.04 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 96 A 8.14 4.02 1.49 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 0.00 0.00 97 L 8.09 3.92 0.00 1.64 1.62 0.70 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 98 E 8.12 3.91 0.00 2.17 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 0.00 2.29 2.39 0.00 99 R 7.91 3.98 0.00 1.78 1.76 0.00 3.15 0.00 0.00 3.15 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.70 0.00 100 Y 7.80 4.14 0.00 3.02 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 0.00 101 A 7.58 3.70 1.39 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 0.00 0.00 0.00 102 L 7.49 4.28 0.00 1.71 1.58 0.74 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 103 D 8.25 4.76 0.00 2.74 2.56 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 0.00 104 P 0.00 4.35 0.00 2.21 2.10 0.00 3.67 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 2.19 2.11 0.00 105 R 8.20 3.90 0.00 1.98 2.04 0.00 3.17 0.00 0.00 3.29 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.88 0.00 106 Q 8.28 4.38 0.00 2.38 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.68 0.00 0.00 0.00 0.00 0.00 2.69 2.59 0.00 107 A 8.39 4.02 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 0.00 0.00 108 G 8.25 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 0.00 109 Q 8.82 4.48 0.00 2.12 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.54 0.00 0.00 0.00 0.00 0.00 2.60 2.08 0.00 110 Y 7.93 5.21 0.00 2.97 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 V 9.11 4.62 2.13 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 0.78 0.00 0.00 1.00 0.00 0.00 112 L 8.66 5.09 0.00 1.86 1.74 1.10 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 113 C 8.99 5.07 0.00 2.76 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 0.00 114 D 8.69 5.09 0.00 2.00 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 0.00 0.00 0.00 0.00 115 V 9.10 4.82 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 1.31 0.00 0.00 1.03 0.00 0.00 116 V 9.05 4.96 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 0.80 0.00 0.00 0.97 0.00 0.00 117 G 8.98 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *126 W 8.83 4.81 0.00 3.26 3.20 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 0.00 127 Q 7.51 4.18 0.00 1.96 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.19 6.87 0.00 0.00 0.00 0.00 0.00 2.25 1.89 0.00 128 A 7.99 3.66 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 0.00 129 R 8.31 4.49 0.00 1.70 1.87 0.00 3.28 0.00 0.00 3.01 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 130 C 7.83 4.85 0.00 2.92 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.94 5.43 0.00 3.12 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 R 8.66 4.50 0.00 1.70 1.50 0.00 2.92 0.00 0.00 2.93 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.40 0.00 133 V 8.32 4.42 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 0.90 0.00 0.00 1.11 0.00 0.00 134 F 8.83 4.55 0.00 3.04 2.81 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 0.00 135 G 10.20 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 0.00 136 D 8.80 4.36 0.00 2.73 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 0.00 137 S 7.86 4.50 0.00 3.85 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 0.00 138 E 8.09 4.14 0.00 2.17 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 2.35 2.47 0.00 139 K 7.96 4.79 0.00 1.75 1.85 0.00 2.05 0.00 0.00 1.86 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.38 1.29 7.81 140 P 0.00 3.96 0.00 1.98 1.07 0.00 3.53 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.00 0.00 141 L 7.89 4.07 0.00 1.80 1.71 0.95 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 142 L 7.92 4.21 0.00 2.02 1.89 1.19 1.13 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 0.00 143 I 7.99 4.23 2.19 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 1.52 0.81 1.20 0.00 0.00 144 Q 8.53 4.17 0.00 2.26 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.93 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 145 E 7.88 4.14 0.00 2.19 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 2.38 2.62 0.00 146 L 7.89 4.16 0.00 1.48 0.82 1.03 0.74 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 0.00 147 W 7.87 4.99 0.00 3.63 2.99 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 0.00 148 K 8.46 4.84 0.00 1.74 1.71 0.00 1.82 0.00 0.00 1.79 0.00 0.00 3.22 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.42 7.81 149 P 0.00 4.38 0.00 2.23 2.06 0.00 3.79 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 150 R 8.73 3.88 0.00 1.96 1.86 0.00 3.33 0.00 0.00 3.34 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.26 0.00 151 E 8.76 4.10 0.00 2.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 152 G 9.21 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 0.00 0.00 0.00 0.00 153 L 7.53 4.61 0.00 1.79 1.62 0.92 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 154 S 8.71 4.97 0.00 3.96 4.05 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 0.00 155 R 8.60 5.30 0.00 1.89 1.83 0.00 3.19 0.00 0.00 3.77 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.77 0.00 156 R 9.15 4.50 0.00 1.46 1.36 0.00 2.21 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.54 0.00 157 F 9.07 5.46 0.00 3.26 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 0.00 158 E 9.28 5.37 0.00 1.88 1.85 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 2.31 2.45 0.00 159 L 9.19 4.84 0.00 1.67 1.52 1.04 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 160 R 8.93 4.80 0.00 1.72 1.69 0.00 3.10 0.00 0.00 2.77 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.54 0.00 161 K 8.55 3.96 0.00 1.40 1.57 0.00 1.02 0.00 0.00 1.52 0.00 0.00 2.70 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.19 0.90 7.81 162 R 8.47 3.91 0.00 1.85 1.98 0.00 3.18 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 163 S 8.01 4.08 0.00 4.00 4.08 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 0.00 0.00 0.00 0.00 164 D 7.79 4.40 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 0.00 165 V 7.56 3.88 2.29 0.00 0.00 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 1.06 0.00 0.00 166 E 8.45 3.98 0.00 2.21 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 0.00 2.34 2.37 0.00 167 E 8.21 3.95 0.00 2.20 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 2.31 2.37 0.00 168 L 8.07 4.07 0.00 2.12 1.87 0.98 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 169 A 7.89 4.01 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 0.00 170 A 8.00 3.91 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 0.00 171 K 8.13 3.82 0.00 2.06 2.03 0.00 1.52 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.51 7.81 172 E 8.10 4.05 0.00 2.24 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 2.50 2.27 0.00 173 V 7.97 3.58 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 1.01 0.00 0.00 0.94 0.00 0.00 174 D 7.99 4.38 0.00 2.91 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 T 7.98 3.88 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 1.33 0.00 0.00 176 I 7.78 3.68 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 1.50 0.46 0.89 0.00 0.00 177 T 8.04 3.87 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 1.20 0.00 0.00 178 A 8.44 4.07 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 0.00 179 G 7.92 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 I 7.82 3.97 1.99 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 1.51 0.79 0.90 0.00 0.00 181 N 8.35 4.42 0.00 2.94 2.86 0.00 0.00 6.92 6.48 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 0.00 182 A 8.23 3.93 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 0.00 183 Q 8.07 3.90 0.00 2.30 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 184 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 R 7.59 3.82 0.00 1.94 2.00 0.00 3.32 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 186 R 7.68 4.04 0.00 1.81 2.20 0.00 3.26 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 187 L 7.69 4.14 0.00 1.92 1.69 0.94 1.17 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 0.00 188 Q 7.74 4.41 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.72 0.00 0.00 0.00 0.00 0.00 2.39 2.63 0.00 189 R 7.69 4.19 0.00 1.82 1.74 0.00 3.19 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 * Residues marked with a * may have inaccurate shift predictions.