NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 S 4.0694 8.3349 115.3959 58.7735 64.0633 178.3528 6 I 2.3052 5.6636 116.6966 57.7579 39.1764 172.4241 7 K 4.5140 8.6615 119.5732 54.8137 36.0024 174.8621 8 F 5.3599 8.6852 122.7787 55.9714 41.1332 174.9088 9 E 4.8874 9.6316 121.3393 54.5555 33.9486 174.4729 10 L 5.0893 8.5404 121.3349 53.1008 44.2570 175.8114 11 I 4.4629 8.6854 125.1186 59.3920 39.5947 174.5874 12 D 4.7825 8.7984 127.2353 53.9156 42.2908 175.5303 13 V 4.3742 8.1999 125.4304 60.4750 32.7533 173.7041 14 P 4.4406 0.0000 0.0000 62.6476 31.7580 176.8299 15 I 4.7125 8.0539 122.6812 58.6328 38.9823 173.0665 16 P 4.3836 0.0000 0.0000 61.9300 31.9638 176.2392 17 Q 4.2386 8.4904 122.8731 57.9887 29.3049 176.8708 18 G 4.0222 9.2599 113.3320 45.0027 0.0000 172.7406 19 T 5.0504 7.5607 108.8545 60.0327 71.7418 173.3822 20 N 5.4379 8.9043 118.5980 51.4859 43.3312 173.8372 21 V 4.6685 8.6646 120.4652 59.8978 34.9188 174.5602 22 I 5.1030 8.7858 123.3019 59.7685 40.6949 174.2976 23 I 4.7742 8.5759 127.8521 59.8096 40.4597 175.4355 24 G 3.3672 7.4804 111.6151 45.3384 0.0000 170.9800 25 Q 5.1282 8.5107 119.8296 54.2210 32.3211 174.5327 26 A 4.8056 8.9917 129.9325 50.5522 20.1588 174.9846 27 H 4.7089 8.5712 110.6594 57.3353 31.7205 170.8815 28 F 4.4031 8.7103 128.9936 58.1065 40.3715 175.5659 29 I 3.6770 8.1485 126.5002 64.1497 37.5643 177.5282 30 K 3.6992 6.1594 119.0311 58.3081 31.8036 178.2899 31 T 3.5305 7.3143 116.6347 67.0222 68.3727 176.3205 32 V 3.5423 7.0203 120.7474 65.0311 31.2839 178.3096 33 E 4.0239 7.9115 118.7196 59.0729 29.4286 178.8316 34 D 4.3646 8.1961 119.1070 57.2512 40.8309 178.8304 35 L 3.8380 8.0824 119.8648 57.4864 41.5442 178.6993 36 Y 4.0491 7.8894 119.2496 60.8763 38.7589 178.2413 37 E 3.8400 8.3879 119.1048 59.3194 29.3584 179.0534 38 A 3.8956 7.7313 119.6698 55.1016 18.6272 179.5747 39 L 3.7325 7.4901 117.4388 57.8118 41.5132 180.1393 40 V 3.6179 6.9576 117.6726 64.1986 31.2675 177.3075 41 T 4.3066 7.3728 108.0433 62.0754 69.0673 175.9526 42 S 4.4674 7.6898 118.5300 59.2769 63.8484 174.8270 43 V 4.3984 6.8925 120.3082 60.2650 34.3012 172.3259 44 P 4.3491 0.0000 0.0000 63.7662 31.6999 176.9458 45 G 3.9561 8.8985 109.8423 45.3054 0.0000 174.0284 46 V 3.8176 7.3924 119.6576 61.7971 32.1107 175.7646 47 K 4.9983 8.8452 123.0340 54.8320 34.9942 175.2217 48 F 5.4589 9.2632 118.6954 56.1991 42.1296 173.0588 49 G 4.5851 9.2940 105.7722 44.7257 0.0000 171.5807 50 I 5.5275 9.3467 124.0395 59.1982 41.6254 173.7422 51 A 5.5504 9.4134 130.1790 50.2499 22.7995 174.4531 52 F 5.4154 9.5956 122.6349 56.8376 43.2596 173.7644 53 C 4.5076 8.3297 124.3641 58.0811 28.1348 172.7499 54 E 3.7942 8.3885 125.7076 56.1929 29.9485 177.0250 55 A 4.4575 8.7289 128.9509 52.3079 19.7742 175.8322 56 S 4.6131 7.3322 110.0568 57.7005 67.0848 175.2973 57 G 3.7228 8.3433 110.2989 46.9440 0.0000 177.1012 58 K 4.0234 8.9164 123.8758 57.1222 32.2646 176.4989 59 R 4.4441 7.5896 116.7008 56.0603 28.3393 175.7870 60 L 4.6812 7.9379 116.3047 53.0817 44.7232 177.7639 61 V 4.1909 8.2998 122.4256 62.8002 31.9981 175.4722 62 R 4.6985 9.1971 128.8743 55.8766 31.7047 175.5282 63 H 5.3531 8.2926 116.0020 54.9010 31.1278 172.6724 64 E 4.8890 8.9024 119.3476 54.9632 33.7432 174.4194 65 A 4.4660 7.9568 121.8692 51.6770 21.9249 175.7171 66 N 4.8010 8.1856 113.6458 51.5289 38.3952 174.6252 67 D 4.4919 7.4471 118.2182 52.4564 44.3423 175.4048 68 E 3.9417 8.8205 127.2709 59.2889 29.6772 178.7318 69 E 3.8582 8.1688 118.9437 59.4446 29.7820 178.8412 70 L 3.9469 8.3646 118.9092 57.3172 41.5492 179.4551 71 R 3.9123 8.0299 118.9501 59.6504 30.0526 178.4016 72 N 4.2798 8.2751 116.3096 56.1627 38.4596 177.4509 73 L 3.7564 7.7220 120.1281 57.5386 41.6801 179.4509 74 A 4.3091 8.0190 120.6651 55.2807 18.4003 179.7534 75 I 3.6612 8.0136 118.5569 64.7060 37.2119 178.3418 76 D 4.3778 8.4372 120.1085 57.4030 40.6356 178.7722 77 L 4.0554 8.0615 120.7678 58.3281 42.0713 178.7766 78 C 4.2660 8.1412 116.5008 62.7488 27.8038 176.2625 79 K 4.0359 7.9284 119.3310 59.2138 31.6696 179.4117 80 K 4.1352 7.8242 117.8768 59.5432 32.1673 179.2083 81 I 3.7165 8.0987 118.8246 62.9903 37.8001 176.7485 82 A 3.7537 8.2326 120.2786 53.3916 16.5148 176.7046 83 A 4.6794 7.6513 121.6626 50.4297 22.2971 177.3871 84 G 3.8273 8.5688 113.3761 45.8473 0.0000 172.6884 *86 V 4.3222 7.3391 120.2086 62.9725 33.7386 174.4572 87 F 5.7359 8.8228 121.2186 55.1823 41.5440 173.9434 88 V 5.0021 9.3324 119.9152 61.3966 35.0707 174.2252 89 I 5.2947 9.1065 127.6513 59.8402 41.1831 173.7893 90 Y 5.2761 9.2482 124.1830 56.1298 41.1653 174.8119 91 I 5.3269 8.8853 116.5426 59.3514 41.5247 174.4954 92 R 4.8652 8.6996 121.9902 54.9883 34.6264 175.1162 93 N 4.0377 8.8497 115.7642 53.6346 36.1316 174.0050 94 A 4.2277 7.1477 116.7372 51.2805 21.8898 176.6462 95 W 4.9471 9.0214 120.9469 54.2471 31.7757 175.7187 96 P 4.3022 0.0000 0.0000 65.9977 30.4968 178.9767 97 I 3.7507 7.8269 109.9994 63.6036 37.5008 177.3771 98 N 4.5789 8.2896 117.6490 55.0550 38.8673 175.9009 99 V 4.3835 7.4292 110.7247 60.3075 34.2921 177.4185 100 L 3.9955 8.3999 121.0611 58.0859 41.5259 179.1739 101 N 4.3053 8.1379 115.4884 56.0338 38.2665 177.2170 102 A 3.9709 7.8226 121.1591 55.1662 18.8972 179.2439 103 I 3.7129 7.6351 118.1034 64.4808 36.9548 178.7920 104 K 4.0015 8.0880 118.4184 59.2756 31.9669 178.2509 105 N 4.7110 7.7392 113.4675 52.5043 39.1444 175.4458 106 V 3.6860 7.1986 122.6721 61.9007 31.9318 174.7804 107 P 4.3111 0.0000 0.0000 65.8149 31.3382 177.5712 108 E 4.1037 8.0986 117.1871 58.7445 29.7640 177.1678 109 V 3.9906 7.5740 119.1631 62.9629 31.8545 175.7016 110 V 4.5244 8.6111 119.0453 61.4403 34.1329 175.9778 111 R 4.5877 7.7674 117.7570 54.6004 34.8661 174.3604 112 I 4.3770 7.8179 121.5571 59.6756 39.4144 175.3214 113 F 4.5829 8.8927 127.5637 60.3439 39.6138 176.0445 114 A 4.5954 7.7598 116.5987 51.1850 22.4671 175.8084 115 A 4.8917 8.3277 121.6022 51.6744 21.4877 175.2079 116 T 4.3580 8.5580 114.9883 62.5417 71.6684 173.3473 117 A 4.8277 8.6679 123.5986 51.6253 20.0321 175.8847 118 N 4.7959 8.1162 114.7343 51.5826 40.0129 173.1813 119 P 4.4425 0.0000 0.0000 63.4190 32.5821 175.5061 120 L 5.2438 8.4460 124.2211 53.4791 45.9756 174.7023 121 K 5.1684 8.7553 123.4476 54.5754 36.2901 175.0593 122 V 4.4991 8.7632 123.6567 61.1807 34.3305 174.2211 123 I 4.7696 8.7064 129.1207 59.9211 38.9645 174.7115 124 V 4.8416 8.8591 127.3161 60.9352 34.5248 173.8779 125 A 5.0224 9.0721 129.1445 50.0870 21.7049 174.9766 126 E 4.8716 9.2915 124.0271 54.6992 31.4335 176.9338 127 V 3.8334 8.2425 120.7805 62.3901 32.6874 175.6773 128 E 4.6990 7.5600 115.5049 54.6206 31.3458 173.2787 129 P 4.3546 0.0000 0.0000 64.5164 31.5901 176.5457 130 E 3.7240 9.0140 119.8223 56.8104 27.2927 174.6705 131 R 4.4741 8.0152 118.7895 54.3419 31.1498 174.4488 132 R 5.1877 8.2349 120.4677 54.3986 34.2235 175.0984 133 G 4.2479 8.7418 106.8625 44.8028 0.0000 172.0600 134 V 4.1128 8.2110 122.1458 62.5566 31.5118 175.8820 135 V 3.8626 8.8417 129.0710 64.9905 32.5358 175.5762 136 G 4.0317 6.9668 104.1559 46.4358 0.0000 172.1915 137 V 4.9424 8.4217 111.5622 59.7295 36.4779 176.1251 138 V 4.1360 8.7624 122.2527 61.2785 33.1447 173.4454 139 D 4.5019 8.6853 127.5097 53.4520 41.3614 176.7581 140 G 3.8721 8.6594 118.3956 45.4532 0.0000 170.9442 141 H 4.9149 8.4738 116.3746 53.3858 31.7974 173.9392 142 S 4.3836 8.2844 115.2218 57.3481 63.5756 172.4635 143 P 4.3847 0.0000 0.0000 62.9538 31.5405 176.7287 144 L 4.3338 8.2588 120.8927 55.2485 42.5773 176.4413 145 G 3.8946 6.9813 103.9947 45.7673 0.0000 171.6540 146 V 4.3000 8.1562 118.4687 60.3036 33.5099 175.6143 147 E 4.0091 8.7298 127.5630 57.0287 29.9621 176.6805 148 T 4.7445 8.7322 117.0890 60.4509 72.1232 175.7069 149 E 3.9340 8.4843 119.6384 59.3077 29.3405 179.5226 150 K 3.9430 7.9468 119.2500 59.6170 32.3219 178.4022 151 D 4.3542 8.2255 119.2343 57.3871 40.6469 178.8067 152 R 4.3380 8.1924 120.7433 59.0335 30.1077 178.4524 153 E 3.9746 8.2522 118.4094 59.4916 29.4512 179.2470 154 E 4.0364 8.2527 118.7472 59.2686 29.6256 179.3528 155 R 3.9712 8.3187 119.1234 59.2841 30.1510 178.7871 156 K 4.0341 8.3541 118.5900 59.3335 32.0177 179.2887 157 K 3.9749 8.2329 119.9834 59.2334 32.1883 178.6038 158 F 4.1055 8.3851 121.0203 61.4651 39.4111 177.2454 159 L 3.7324 8.0416 117.8276 56.9655 41.3911 179.1403 160 R 4.5220 7.5736 118.4427 56.7915 30.6080 177.9101 161 E 4.3137 8.5661 117.0041 57.4822 30.4100 177.1389 162 V 3.7616 7.1682 117.6695 64.6088 32.1404 177.2829 163 V 3.2402 6.5079 112.9376 61.1066 31.8756 176.4650 164 K 3.9584 7.2299 116.7584 56.6014 29.2769 175.5298 165 Y 4.6901 7.5720 115.5489 58.7822 38.4980 175.7974 166 K 4.7489 7.6090 118.3883 54.5360 36.3661 176.2373 167 L 4.3084 8.3814 118.9576 55.0411 41.9181 176.7441 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 5 S 8.33 4.07 0.00 3.78 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 0.00 6 I 5.66 2.31 1.93 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.52 0.84 0.00 0.00 7 K 8.66 4.51 0.00 1.58 1.62 0.00 1.60 0.00 0.00 1.61 0.00 0.00 2.98 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.30 1.29 7.81 8 F 8.69 5.36 0.00 2.92 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 9 E 9.63 4.89 0.00 1.82 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 2.22 2.25 0.00 10 L 8.54 5.09 0.00 1.50 1.56 0.91 0.76 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 11 I 8.69 4.46 1.85 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 1.10 1.07 0.92 0.00 0.00 12 D 8.80 4.78 0.00 2.70 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 8.20 4.37 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 0.90 0.00 0.00 0.94 0.00 0.00 14 P 0.00 4.44 0.00 2.12 2.00 0.00 3.81 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 2.06 2.14 0.00 15 I 8.05 4.71 1.96 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 1.55 0.90 1.02 0.00 0.00 16 P 0.00 4.38 0.00 2.20 1.98 0.00 3.73 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 2.06 2.07 0.00 17 Q 8.49 4.24 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.51 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 18 G 9.26 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 19 T 7.56 5.05 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 20 N 8.90 5.44 0.00 2.79 2.74 0.00 0.00 6.86 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 8.66 4.67 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.17 0.00 0.00 22 I 8.79 5.10 1.96 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 1.26 0.82 1.09 0.00 0.00 23 I 8.58 4.77 1.91 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 1.11 0.79 0.96 0.00 0.00 24 G 7.48 3.37 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 0.00 25 Q 8.51 5.13 0.00 2.14 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.39 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 26 A 8.99 4.81 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 27 H 8.57 4.71 0.00 3.22 3.37 0.00 5.65 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 F 8.71 4.40 0.00 3.10 2.94 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 29 I 8.15 3.68 1.79 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.97 0.40 0.00 0.00 30 K 6.16 3.70 0.00 1.13 1.69 0.00 1.81 0.00 0.00 1.89 0.00 0.00 3.13 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.70 1.40 7.81 31 T 7.31 3.53 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 0.55 0.00 0.00 32 V 7.02 3.54 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 1.00 0.00 0.00 33 E 7.91 4.02 0.00 1.95 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 34 D 8.20 4.36 0.00 2.55 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 35 L 8.08 3.84 0.00 1.54 1.54 0.08 0.49 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 36 Y 7.89 4.05 0.00 3.31 3.23 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 37 E 8.39 3.84 0.00 2.21 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 2.48 2.69 0.00 38 A 7.73 3.90 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 39 L 7.49 3.73 0.00 0.55 0.59 0.45 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 40 V 6.96 3.62 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 0.57 0.00 0.00 0.95 0.00 0.00 41 T 7.37 4.31 4.20 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 1.17 0.00 0.00 42 S 7.69 4.47 0.00 3.93 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 43 V 6.89 4.40 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 1.00 0.00 0.00 0.92 0.00 0.00 44 P 0.00 4.35 0.00 2.08 1.97 0.00 3.80 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 2.03 2.08 0.00 45 G 8.90 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 46 V 7.39 3.82 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 0.80 0.00 0.00 1.01 0.00 0.00 47 K 8.85 5.00 0.00 1.70 1.72 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.48 7.81 48 F 9.26 5.46 0.00 3.14 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 49 G 9.29 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 I 9.35 5.53 2.10 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.79 1.25 0.00 0.00 51 A 9.41 5.55 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 52 F 9.60 5.42 0.00 3.09 2.94 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 53 C 8.33 4.51 0.00 2.74 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 54 E 8.39 3.79 0.00 2.07 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 2.50 2.34 0.00 55 A 8.73 4.46 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 56 S 7.33 4.61 0.00 3.98 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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2.21 2.31 0.00 65 A 7.96 4.47 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 66 N 8.19 4.80 0.00 2.70 2.60 0.00 0.00 6.66 8.06 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 67 D 7.45 4.49 0.00 2.59 2.43 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 68 E 8.82 3.94 0.00 1.99 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.29 0.00 69 E 8.17 3.86 0.00 1.99 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 0.00 2.29 2.35 0.00 70 L 8.36 3.95 0.00 1.75 1.79 1.01 0.71 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 71 R 8.03 3.91 0.00 1.98 2.07 0.00 3.13 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 72 N 8.28 4.28 0.00 2.71 2.80 0.00 0.00 7.10 6.27 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 73 L 7.72 3.76 0.00 1.14 0.28 0.54 0.68 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 74 A 8.02 4.31 1.64 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 75 I 8.01 3.66 1.80 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.73 0.86 0.00 0.00 76 D 8.44 4.38 0.00 2.79 2.72 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 0.00 0.00 0.00 77 L 8.06 4.06 0.00 2.07 1.82 0.99 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 78 C 8.14 4.27 0.00 3.27 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 79 K 7.93 4.04 0.00 1.94 1.87 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.61 7.81 80 K 7.82 4.14 0.00 1.90 1.87 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.69 7.81 81 I 8.10 3.72 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.62 0.89 0.00 0.00 82 A 8.23 3.75 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 83 A 7.65 4.68 1.23 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 84 G 8.57 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *86 V 7.34 4.32 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 1.15 0.00 0.00 1.00 0.00 0.00 87 F 8.82 5.74 0.00 3.38 3.49 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 88 V 9.33 5.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 1.01 0.00 0.00 89 I 9.11 5.29 1.99 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 1.37 0.87 0.99 0.00 0.00 90 Y 9.25 5.28 0.00 3.00 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 91 I 8.89 5.33 1.91 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 1.27 0.77 0.97 0.00 0.00 92 R 8.70 4.87 0.00 1.73 1.78 0.00 3.27 0.00 0.00 3.16 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.62 0.00 93 N 8.85 4.04 0.00 2.82 2.82 0.00 0.00 6.73 7.35 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 94 A 7.15 4.23 1.13 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 0.00 0.00 95 W 9.02 4.95 0.00 3.62 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 96 P 0.00 4.30 0.00 2.23 2.17 0.00 3.84 0.00 0.00 4.02 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 97 I 7.83 3.75 1.78 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.49 0.87 0.00 0.00 98 N 8.29 4.58 0.00 2.87 2.95 0.00 0.00 6.76 8.04 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 99 V 7.43 4.38 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 0.89 0.00 0.00 0.98 0.00 0.00 100 L 8.40 4.00 0.00 1.71 1.73 0.94 0.64 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 0.00 101 N 8.14 4.31 0.00 2.78 2.84 0.00 0.00 6.99 8.12 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 0.00 102 A 7.82 3.97 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 0.00 103 I 7.64 3.71 2.02 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 1.41 1.00 0.91 0.00 0.00 104 K 8.09 4.00 0.00 1.86 1.87 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.73 7.81 105 N 7.74 4.71 0.00 2.90 2.83 0.00 0.00 6.98 7.06 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 0.00 106 V 7.20 3.69 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 0.86 0.00 0.00 0.88 0.00 0.00 107 P 0.00 4.31 0.00 2.09 2.13 0.00 3.70 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 108 E 8.10 4.10 0.00 1.94 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 2.43 2.33 0.00 109 V 7.57 3.99 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 0.90 0.00 0.00 0.71 0.00 0.00 110 V 8.61 4.52 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 0.78 0.00 0.00 1.07 0.00 0.00 111 R 7.77 4.59 0.00 1.02 1.24 0.00 3.08 0.00 0.00 3.32 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 112 I 7.82 4.38 1.83 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 1.48 0.63 0.91 0.00 0.00 113 F 8.89 4.58 0.00 2.97 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 0.00 114 A 7.76 4.60 1.22 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 0.00 0.00 115 A 8.33 4.89 1.22 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 0.00 0.00 116 T 8.56 4.36 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 117 A 8.67 4.83 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 0.00 118 N 8.12 4.80 0.00 2.90 2.81 0.00 0.00 6.91 7.63 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 0.00 119 P 0.00 4.44 0.00 2.10 2.02 0.00 3.61 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.15 0.00 120 L 8.45 5.24 0.00 1.86 1.44 0.96 0.51 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 0.00 121 K 8.76 5.17 0.00 1.67 1.61 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.78 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.32 1.46 7.81 122 V 8.76 4.50 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.88 0.00 0.00 123 I 8.71 4.77 1.82 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.37 0.91 0.00 0.00 124 V 8.86 4.84 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 0.77 0.00 0.00 0.87 0.00 0.00 125 A 9.07 5.02 1.10 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 0.00 0.00 126 E 9.29 4.87 0.00 1.92 1.71 0.00 0.00 0.00 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 2.27 0.00 127 V 8.24 3.83 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.95 0.00 0.00 128 E 7.56 4.70 0.00 2.05 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 2.13 2.19 0.00 129 P 0.00 4.35 0.00 2.04 2.04 0.00 3.78 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 130 E 9.01 3.72 0.00 2.11 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 0.00 2.19 2.30 0.00 131 R 8.02 4.47 0.00 1.91 1.82 0.00 3.14 0.00 0.00 3.15 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.71 0.00 132 R 8.23 5.19 0.00 1.77 1.75 0.00 3.30 0.00 0.00 3.36 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.56 0.00 133 G 8.74 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 0.00 134 V 8.21 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 -0.19 0.00 0.00 0.59 0.00 0.00 135 V 8.84 3.86 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 0.78 0.00 0.00 1.15 0.00 0.00 136 G 6.97 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 0.00 137 V 8.42 4.94 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 0.67 0.00 0.00 1.00 0.00 0.00 138 V 8.76 4.14 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 0.90 0.00 0.00 0.89 0.00 0.00 139 D 8.69 4.50 0.00 2.73 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 G 8.66 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 0.00 0.00 0.00 141 H 8.47 4.91 0.00 3.10 3.22 0.00 5.71 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 S 8.28 4.38 0.00 3.98 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 0.00 143 P 0.00 4.38 0.00 2.06 2.02 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 2.02 2.10 0.00 144 L 8.26 4.33 0.00 1.61 1.70 0.90 0.85 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 0.00 145 G 6.98 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 0.00 0.00 0.00 146 V 8.16 4.30 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 0.83 0.00 0.00 0.93 0.00 0.00 147 E 8.73 4.01 0.00 2.03 1.82 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 2.38 2.30 0.00 148 T 8.73 4.74 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 1.26 0.00 0.00 149 E 8.48 3.93 0.00 2.03 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 2.40 2.36 0.00 150 K 7.95 3.94 0.00 1.82 1.79 0.00 1.72 0.00 0.00 1.81 0.00 0.00 3.10 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.53 7.81 151 D 8.23 4.35 0.00 2.97 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 0.00 152 R 8.19 4.34 0.00 1.93 2.13 0.00 3.14 0.00 0.00 3.27 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.54 0.00 153 E 8.25 3.97 0.00 2.21 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 2.51 2.50 0.00 154 E 8.25 4.04 0.00 2.16 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 155 R 8.32 3.97 0.00 1.83 2.10 0.00 3.31 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.83 0.00 156 K 8.35 4.03 0.00 2.02 1.85 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.55 7.81 157 K 8.23 3.97 0.00 1.93 2.00 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.66 7.81 158 F 8.39 4.11 0.00 3.15 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 0.00 159 L 8.04 3.73 0.00 1.92 1.69 0.99 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 160 R 7.57 4.52 0.00 1.88 1.91 0.00 3.24 0.00 0.00 3.25 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.53 0.00 161 E 8.57 4.31 0.00 1.98 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 2.23 2.25 0.00 162 V 7.17 3.76 1.61 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 0.63 0.00 0.00 0.95 0.00 0.00 163 V 6.51 3.24 0.67 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 0.07 0.00 0.00 0.05 0.00 0.00 164 K 7.23 3.96 0.00 1.75 1.80 0.00 1.72 0.00 0.00 2.31 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.38 7.81 165 Y 7.57 4.69 0.00 2.88 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 0.00 166 K 7.61 4.75 0.00 1.72 1.64 0.00 1.65 0.00 0.00 1.84 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.39 7.81 167 L 8.38 4.31 0.00 1.60 1.53 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.