NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 38 P 4.3740 0.0000 0.0000 62.5366 32.4877 176.2277 39 K 4.5556 7.3869 119.2093 50.5256 35.6014 176.6730 40 S 4.2515 9.0235 118.6317 61.8221 64.1390 175.1860 41 E 4.0784 8.1330 117.4977 55.0903 30.1759 178.4230 42 G 4.4782 8.2674 115.2206 44.0386 0.0000 172.5857 *43 Y 4.1876 8.5162 116.6010 59.7510 37.4089 173.2894 44 C 5.4869 7.9226 117.6129 55.3966 41.3132 175.2485 45 S 4.7118 8.1131 109.2941 58.7801 62.6250 174.2121 46 R 4.7488 8.4961 119.1356 56.4952 31.4516 174.8146 47 I 4.8270 7.8374 118.3256 59.6047 41.1318 173.7950 48 L 4.6294 8.7962 127.9779 54.5268 46.5015 175.7870 49 R 4.6326 9.0202 114.6755 57.2729 32.5332 177.6621 50 A 3.7547 8.0553 119.2872 52.6680 17.1294 174.7621 51 Q 4.8872 8.2998 114.3728 55.2335 30.6557 175.4087 52 G 3.6116 8.6778 110.6531 47.1492 0.0000 173.6496 *57 G 3.6660 8.2238 109.4558 45.7574 0.0000 174.4908 58 Y 4.6860 7.6297 118.0799 56.1016 37.6766 176.9505 59 T 4.4679 7.7330 108.3306 61.8245 69.6778 176.2383 60 E 4.0963 7.9014 120.3411 57.7308 30.7008 175.9549 61 F 5.5019 7.6109 118.5472 55.8779 41.8652 174.9711 62 S 4.7209 8.8664 116.3920 56.7350 66.7116 172.4175 63 L 5.0903 8.5219 125.3632 53.8977 43.0220 175.7924 64 R 4.7635 9.2033 122.1304 54.4653 33.6951 174.1015 65 V 4.8127 8.2119 120.3692 60.9463 33.7217 174.7669 66 E 4.1622 8.5580 128.1226 58.2601 29.8071 178.1590 67 G 3.9758 8.8478 110.3731 44.8481 0.0000 173.1872 68 D 4.3449 7.8215 116.1391 54.7990 38.1975 170.8887 69 P 4.8597 0.0000 0.0000 61.4674 34.1639 175.8833 70 D 4.6176 8.3894 113.4246 55.1427 44.0313 174.9899 71 F 4.4840 8.1558 122.1883 56.0398 37.7588 173.8656 72 Y 4.2269 7.4272 117.1688 57.4402 38.5529 177.2147 73 K 4.3369 10.1186 125.6643 53.9412 32.9146 174.2531 74 P 4.5166 0.0000 0.0000 64.4066 30.9216 176.4160 75 G 3.9134 8.6566 112.2233 44.8989 0.0000 173.2243 76 T 4.0562 7.6800 117.3310 62.9300 70.0352 174.1834 77 S 4.5260 8.3109 120.7280 57.9889 62.9002 172.5032 78 Y 4.7905 8.7660 126.0832 56.5560 40.0818 175.0413 79 R 4.9468 8.9317 124.5310 55.8140 31.8791 174.7948 80 V 4.8829 9.4780 127.0502 61.4620 34.2739 174.1268 81 T 5.0232 9.0641 124.7042 61.5903 71.7583 172.6974 82 L 5.1644 8.7896 128.5555 53.3246 44.4284 175.2254 83 S 5.5168 8.9784 120.1261 56.5831 67.1151 172.6751 84 A 5.2971 8.9507 123.2329 50.1373 20.5554 176.1574 85 A 3.6966 9.5524 124.6503 52.9278 19.2910 178.2170 86 P 3.8166 0.0000 0.0000 64.7577 32.3756 175.7503 87 P 4.4059 0.0000 0.0000 64.9080 31.7416 177.3310 88 S 4.6264 7.8942 112.3125 57.8079 63.9394 172.2508 89 Y 5.1069 7.9900 117.9198 55.4875 41.0247 173.7761 90 F 4.8861 8.5744 114.4916 55.3281 40.4406 173.8272 91 R 4.6267 7.6578 117.2889 55.5410 31.7098 177.9647 92 G 4.2777 7.6891 106.7341 44.5473 0.0000 170.9016 93 F 4.9314 8.4953 113.5322 56.8315 41.7917 173.0792 94 T 4.8705 8.6074 114.9930 62.1757 73.2311 173.2184 95 L 5.5864 9.2723 125.6780 53.0012 45.6219 175.6282 96 I 5.1792 9.0534 115.4744 59.2935 42.0456 174.2395 97 A 4.6635 8.6607 122.6783 50.2131 20.7024 174.6113 98 L 4.9387 8.5700 121.0465 53.4920 44.4275 176.7554 99 R 4.2560 8.3485 121.1049 56.0410 31.4374 175.5171 100 E 3.6441 8.7736 122.8080 56.9069 30.0198 176.6714 101 N 4.2563 8.8608 123.9633 54.6319 36.0525 174.1105 102 R 4.6656 7.3103 115.3194 54.2927 32.8381 176.5006 103 E 3.9422 8.6815 121.1419 58.4095 30.1257 178.2377 104 G 3.8381 8.4199 106.4452 44.9707 0.0000 174.4466 105 D 4.4967 7.8892 118.0844 56.4511 41.1991 175.3543 106 K 4.6896 7.3168 116.4447 54.2919 35.9540 175.8108 107 E 4.0723 8.7370 121.5019 59.2852 30.1872 177.1109 108 E 4.2710 7.8925 115.7150 54.6771 27.5817 174.4511 109 D 4.4938 7.5032 121.7358 55.3415 47.3800 175.1642 110 H 5.1070 8.8682 116.5562 54.4773 29.9031 174.7107 111 A 4.6240 9.1602 125.0843 51.2953 21.8107 174.8294 112 G 3.6204 9.3698 106.2803 44.6737 0.0000 172.9367 113 T 4.5205 7.6321 115.1415 62.2862 72.2267 174.3082 114 F 5.3974 9.1406 125.5578 57.6594 40.6579 175.2432 115 Q 5.0167 9.4556 119.6470 54.2070 32.8855 174.8541 116 I 4.0916 8.6348 117.6228 60.8880 38.7265 175.3173 117 I 4.1334 8.1614 124.7237 63.5317 38.2125 176.8155 118 D 4.2744 8.0027 117.7016 57.2297 41.3109 176.6509 119 E 4.2834 7.7254 120.2759 56.8724 30.5565 175.1195 120 E 4.1003 8.1496 117.9012 58.8089 30.1716 176.8365 121 E 4.9772 8.8138 115.5023 54.7425 31.7069 175.4392 122 T 5.2760 7.8930 108.8649 60.2840 72.1256 172.7343 123 Q 4.4949 8.4541 119.4243 54.8856 32.5521 173.4198 124 F 4.8855 8.4163 119.2589 57.3602 39.8407 175.2419 125 M 4.0561 9.4195 124.4060 55.7790 32.6285 176.8219 126 S 4.1330 8.9916 121.3043 61.5547 62.7732 174.9264 127 N 4.3754 8.1972 118.2015 56.0014 38.9993 173.8973 128 C 4.9391 7.8662 118.0151 53.8410 44.2211 172.0630 129 P 4.3977 0.0000 0.0000 63.7179 31.2256 177.6770 130 V 4.1559 7.6288 117.1789 61.3346 32.1607 174.9118 131 A 5.2385 8.2790 123.6206 50.3654 21.9649 175.9738 132 V 4.7144 8.2660 119.9715 60.3589 34.5414 174.7160 133 T 4.4521 8.7505 117.0860 59.8654 71.5184 172.2514 134 E 4.5125 7.5989 121.0866 56.4125 30.2317 176.8647 135 S 4.5833 8.6440 116.5127 60.1860 64.6759 174.7368 136 T 4.7247 7.6585 108.3654 58.9656 71.2027 171.9288 137 P 4.9102 0.0000 0.0000 62.7635 31.2624 176.5437 138 R 3.9145 7.7229 119.1365 57.5162 30.5098 175.6624 139 R 4.4952 8.3640 124.2221 56.8207 30.6598 175.9449 140 R 4.5928 8.7712 118.5555 55.5171 33.1849 175.1823 141 T 4.4970 7.9195 107.8068 61.1949 70.5199 173.1664 142 R 5.2689 7.3596 119.4082 55.8630 32.9993 173.6020 143 I 4.8253 8.7444 118.8465 59.2146 41.2677 173.7912 144 Q 5.0955 8.5741 121.6693 54.6551 31.4173 174.6276 145 V 4.4672 8.5779 113.5391 59.7743 36.7189 174.5960 146 F 5.5759 8.5700 120.2643 56.6706 41.5122 175.5698 147 W 5.5063 9.7930 130.9675 55.8264 33.5887 174.0749 148 I 4.2799 8.7720 129.9893 60.6292 37.6151 176.0196 149 A 2.8431 8.3571 130.2206 50.6788 19.0755 175.0853 150 P 4.6948 0.0000 0.0000 61.4026 33.4742 173.9085 151 P 4.4113 0.0000 0.0000 62.6985 32.4157 175.4603 152 A 3.7636 8.6513 124.9857 53.7391 18.4324 177.0483 153 G 3.9634 8.9231 110.0466 45.8710 0.0000 174.7704 154 T 3.9981 7.7053 116.1467 64.0827 69.0066 176.0679 155 G 3.8561 8.0328 108.5433 44.4118 0.0000 173.0756 156 C 4.8294 8.5975 115.4836 57.4606 41.0191 173.5691 157 V 4.9986 9.0947 115.6772 59.5621 35.5358 174.7166 158 I 4.6148 8.9960 124.6986 59.5241 40.1455 174.6112 159 L 4.6589 8.4466 128.0593 53.7683 43.2101 176.2896 160 K 5.2017 8.9268 121.9555 54.7788 36.5420 175.1214 161 A 5.4426 9.2760 126.3994 50.3030 21.9212 175.7863 162 S 4.3562 9.2893 115.1126 56.4975 65.0867 174.4797 163 I 4.0694 8.2334 119.4584 60.4072 38.4554 176.0274 164 V 3.6126 6.8355 122.1680 61.5206 31.9090 176.2661 165 Q 4.3543 8.3790 122.8234 53.9207 28.5453 174.3893 166 K 4.7396 7.8632 121.2839 53.9081 36.1784 176.7697 167 R 4.0460 8.5165 115.0777 58.0948 29.7602 176.3392 168 I 4.3451 7.6122 119.3609 59.4192 39.4588 174.9348 169 I 4.2057 7.9843 128.5765 60.0173 38.6976 174.2496 170 Y 5.2128 8.4279 124.8767 56.3323 39.8568 175.2279 171 F 5.0538 9.0820 121.9638 55.3326 42.5238 175.3899 172 Q 4.3024 8.7746 119.8976 56.0910 29.4415 176.1881 173 D 4.5236 8.6870 119.3344 57.1534 41.1370 176.4584 174 E 4.6570 8.1391 115.0488 54.8637 33.8598 174.3501 175 G 3.9381 8.5539 105.6770 43.9190 0.0000 174.3320 176 S 4.1395 8.6869 113.7285 61.4463 63.3508 175.5885 177 L 4.6325 7.8847 119.2858 54.8046 41.2089 175.7949 178 T 5.6801 7.4750 114.9179 61.8876 72.7427 173.6528 179 K 4.7428 8.6552 124.6123 54.3662 36.1313 175.1876 180 K 5.0298 8.7146 123.3031 55.2721 35.0842 175.2587 181 L 5.6100 8.5862 120.4176 52.8482 45.4509 175.3596 182 C 4.8714 8.6939 119.3043 56.4098 43.7982 175.2945 *183 E 3.8359 8.4172 115.9850 56.8005 29.8349 171.3814 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 38 P 0.00 4.37 0.00 2.06 2.10 0.00 3.58 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 1.92 2.08 0.00 39 K 7.39 4.56 0.00 1.81 1.53 0.00 1.81 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.24 1.06 7.81 40 S 9.02 4.25 0.00 3.97 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 41 E 8.13 4.08 0.00 2.01 1.79 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 2.23 1.88 0.00 42 G 8.27 4.48 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 *43 Y 8.52 4.19 0.00 2.35 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 0.00 0.00 0.00 0.00 44 C 7.92 5.49 0.00 3.03 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 45 S 8.11 4.71 0.00 3.97 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 R 8.50 4.75 0.00 1.67 1.95 0.00 3.05 0.00 0.00 3.08 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 47 I 7.84 4.83 1.93 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.00 1.02 0.00 0.00 48 L 8.80 4.63 0.00 1.49 1.72 0.77 0.71 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 49 R 9.02 4.63 0.00 1.81 2.02 0.00 3.34 0.00 0.00 3.16 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 50 A 8.06 3.75 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 51 Q 8.30 4.89 0.00 2.02 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.87 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 52 G 8.68 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.22 3.67 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 0.00 0.00 0.00 58 Y 7.63 4.69 0.00 3.22 3.15 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 59 T 7.73 4.47 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 1.22 0.00 0.00 60 E 7.90 4.10 0.00 1.72 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 1.47 1.63 0.00 61 F 7.61 5.50 0.00 2.94 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 62 S 8.87 4.72 0.00 3.90 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 63 L 8.52 5.09 0.00 1.64 1.76 0.92 0.76 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 64 R 9.20 4.76 0.00 1.86 1.96 0.00 2.80 0.00 0.00 3.13 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 65 V 8.21 4.81 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.89 0.00 0.00 66 E 8.56 4.16 0.00 2.09 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.53 0.00 67 G 8.85 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 0.00 0.00 0.00 68 D 7.82 4.34 0.00 2.81 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 69 P 0.00 4.86 0.00 2.31 2.29 0.00 3.75 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 1.88 2.19 0.00 70 D 8.39 4.62 0.00 2.69 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 71 F 8.16 4.48 0.00 2.99 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 72 Y 7.43 4.23 0.00 3.00 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 73 K 10.12 4.34 0.00 2.01 1.91 0.00 1.84 0.00 0.00 1.92 0.00 0.00 3.07 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.79 1.73 7.81 74 P 0.00 4.52 0.00 2.19 2.40 0.00 3.31 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 2.02 1.95 0.00 75 G 8.66 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 T 7.68 4.06 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 77 S 8.31 4.53 0.00 3.65 3.54 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 78 Y 8.77 4.79 0.00 3.60 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 79 R 8.93 4.95 0.00 2.21 2.00 0.00 3.21 0.00 0.00 3.48 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.62 0.00 80 V 9.48 4.88 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 1.04 0.00 0.00 1.17 0.00 0.00 81 T 9.06 5.02 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 1.22 0.00 0.00 82 L 8.79 5.16 0.00 1.52 1.21 0.64 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 83 S 8.98 5.52 0.00 4.05 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 84 A 8.95 5.30 1.67 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 0.00 0.00 85 A 9.55 3.70 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 P 0.00 3.82 0.00 2.08 2.08 0.00 3.66 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.16 0.00 87 P 0.00 4.41 0.00 2.05 2.11 0.00 3.74 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 2.01 2.06 0.00 88 S 7.89 4.63 0.00 3.93 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 89 Y 7.99 5.11 0.00 3.11 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 90 F 8.57 4.89 0.00 2.96 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 91 R 7.66 4.63 0.00 1.89 2.11 0.00 3.39 0.00 0.00 2.77 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.75 0.00 92 G 7.69 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 0.00 0.00 0.00 0.00 93 F 8.50 4.93 0.00 2.89 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 T 8.61 4.87 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 1.37 0.00 0.00 95 L 9.27 5.59 0.00 1.18 1.49 0.76 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 96 I 9.05 5.18 1.86 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.53 0.89 0.00 0.00 97 A 8.66 4.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 L 8.57 4.94 0.00 1.45 1.44 0.79 0.79 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 99 R 8.35 4.26 0.00 1.70 1.84 0.00 3.16 0.00 0.00 3.08 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.57 0.00 100 E 8.77 3.64 0.00 2.11 1.89 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 2.33 2.35 0.00 101 N 8.86 4.26 0.00 2.91 2.90 0.00 0.00 7.01 7.66 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 0.00 102 R 7.31 4.67 0.00 1.94 1.96 0.00 3.19 0.00 0.00 3.37 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.57 0.00 103 E 8.68 3.94 0.00 1.90 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 2.29 2.36 0.00 104 G 8.42 3.84 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 0.00 0.00 0.00 105 D 7.89 4.50 0.00 2.64 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 0.00 106 K 7.32 4.69 0.00 1.75 1.62 0.00 1.85 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.35 7.81 107 E 8.74 4.07 0.00 2.04 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 2.36 2.26 0.00 108 E 7.89 4.27 0.00 2.11 1.99 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 2.28 2.24 0.00 109 D 7.50 4.49 0.00 2.71 2.86 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 0.00 110 H 8.87 5.11 0.00 3.12 3.26 0.00 5.84 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 0.00 111 A 9.16 4.62 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 0.00 112 G 9.37 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 0.00 113 T 7.63 4.52 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 1.23 0.00 0.00 114 F 9.14 5.40 0.00 3.44 3.18 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 0.00 115 Q 9.46 5.02 0.00 2.29 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.02 0.00 0.00 0.00 0.00 0.00 2.49 2.46 0.00 116 I 8.63 4.09 1.78 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.42 0.44 0.00 0.00 117 I 8.16 4.13 1.84 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.20 0.82 0.00 0.00 118 D 8.00 4.27 0.00 2.61 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 0.00 119 E 7.73 4.28 0.00 2.27 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 2.21 2.24 0.00 120 E 8.15 4.10 0.00 1.95 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 2.29 2.39 0.00 121 E 8.81 4.98 0.00 2.21 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 2.22 2.06 0.00 122 T 7.89 5.28 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 1.42 0.00 0.00 123 Q 8.45 4.49 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.05 0.00 0.00 0.00 0.00 0.00 2.23 2.24 0.00 124 F 8.42 4.89 0.00 2.99 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 0.00 125 M 9.42 4.06 0.00 2.23 1.95 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.48 0.00 126 S 8.99 4.13 0.00 3.87 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 0.00 127 N 8.20 4.38 0.00 2.75 2.79 0.00 0.00 6.50 7.65 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 0.00 128 C 7.87 4.94 0.00 2.90 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 0.00 129 P 0.00 4.40 0.00 2.09 2.11 0.00 3.74 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 1.91 1.90 0.00 130 V 7.63 4.16 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 0.48 0.00 0.00 1.00 0.00 0.00 131 A 8.28 5.24 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 0.00 132 V 8.27 4.71 1.70 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 0.15 0.00 0.00 0.85 0.00 0.00 133 T 8.75 4.45 4.04 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 1.04 0.00 0.00 134 E 7.60 4.51 0.00 2.06 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.35 0.00 135 S 8.64 4.58 0.00 3.83 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 0.00 136 T 7.66 4.72 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 0.00 137 P 0.00 4.91 0.00 2.22 2.18 0.00 3.77 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 1.98 1.94 0.00 138 R 7.72 3.91 0.00 1.95 1.86 0.00 3.21 0.00 0.00 3.13 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 139 R 8.36 4.50 0.00 1.55 1.55 0.00 2.21 0.00 0.00 2.94 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.51 0.00 140 R 8.77 4.59 0.00 1.63 1.83 0.00 2.83 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.85 0.00 141 T 7.92 4.50 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 1.19 0.00 0.00 142 R 7.36 5.27 0.00 1.80 1.77 0.00 3.21 0.00 0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.59 0.00 143 I 8.74 4.83 1.61 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.05 0.06 0.86 0.00 0.00 144 Q 8.57 5.10 0.00 1.89 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.85 0.00 0.00 0.00 0.00 0.00 2.13 2.21 0.00 145 V 8.58 4.47 2.32 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 0.68 0.00 0.00 1.12 0.00 0.00 146 F 8.57 5.58 0.00 3.22 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 0.00 147 W 9.79 5.51 0.00 3.31 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 0.00 148 I 8.77 4.28 1.62 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 1.06 0.37 0.77 0.00 0.00 149 A 8.36 2.84 1.14 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 0.00 0.00 150 P 0.00 4.69 0.00 2.08 2.16 0.00 2.91 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.84 0.00 151 P 0.00 4.41 0.00 2.12 2.21 0.00 3.66 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 2.06 1.96 0.00 152 A 8.65 3.76 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 G 8.92 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 0.00 154 T 7.71 4.00 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 155 G 8.03 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 0.00 156 C 8.60 4.83 0.00 3.08 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 V 9.09 5.00 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 0.79 0.00 0.00 0.70 0.00 0.00 158 I 9.00 4.61 1.79 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 1.19 0.78 0.86 0.00 0.00 159 L 8.45 4.66 0.00 1.50 1.41 0.47 -1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 160 K 8.93 5.20 0.00 1.50 1.88 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.69 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.37 1.31 7.81 161 A 9.28 5.44 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 S 9.29 4.36 0.00 2.72 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 0.00 163 I 8.23 4.07 1.28 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.30 0.24 0.00 0.00 164 V 6.84 3.61 1.92 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 0.60 0.00 0.00 0.85 0.00 0.00 165 Q 8.38 4.35 0.00 2.01 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 6.68 0.00 0.00 0.00 0.00 0.00 2.40 2.23 0.00 166 K 7.86 4.74 0.00 1.93 1.71 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.31 1.37 7.81 167 R 8.52 4.05 0.00 1.90 2.05 0.00 2.98 0.00 0.00 3.22 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 168 I 7.61 4.35 1.88 0.00 0.00 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 1.29 0.64 0.49 0.00 0.00 169 I 7.98 4.21 1.89 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 1.13 0.45 0.55 0.00 0.00 170 Y 8.43 5.21 0.00 2.81 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 0.00 171 F 9.08 5.05 0.00 2.90 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 Q 8.77 4.30 0.00 2.31 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.08 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 173 D 8.69 4.52 0.00 2.70 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 0.00 174 E 8.14 4.66 0.00 1.91 1.81 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 2.21 2.31 0.00 175 G 8.55 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 0.00 176 S 8.69 4.14 0.00 4.05 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 0.00 177 L 7.88 4.63 0.00 1.76 1.84 0.88 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 178 T 7.47 5.68 4.38 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 1.24 0.00 0.00 179 K 8.66 4.74 0.00 1.54 1.60 0.00 1.64 0.00 0.00 1.86 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.33 7.81 180 K 8.71 5.03 0.00 1.81 1.74 0.00 1.52 0.00 0.00 1.70 0.00 0.00 2.77 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.29 1.43 7.81 181 L 8.59 5.61 0.00 1.99 1.94 0.71 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 182 C 8.69 4.87 0.00 2.86 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 *183 E 8.42 3.84 0.00 1.73 1.76 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.