NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 5.0604 8.2798 120.2411 61.8159 32.7906 174.3907 3 Q 4.5618 8.6319 122.4801 53.8142 32.2678 172.5099 4 L 5.0981 8.7286 121.5133 53.1947 44.8837 176.5223 5 V 4.3414 8.7437 123.3613 61.2277 34.1697 174.9664 6 E 5.0886 8.9012 127.0417 56.1732 31.4762 174.9585 7 S 4.4340 8.7042 115.8477 58.8337 67.2893 174.5150 8 G 3.6721 9.8353 109.8457 45.1449 0.0000 171.9479 9 G 3.6072 8.4746 103.8270 44.4119 0.0000 172.4314 10 G 3.9191 7.3902 104.6167 43.4675 0.0000 171.9812 11 S 5.3116 8.2309 114.9096 56.5156 64.8413 173.9846 12 V 4.5730 9.0783 122.6408 59.7984 35.4256 174.1510 13 Q 4.8055 8.4665 121.7142 54.5673 30.7463 174.6634 14 A 4.2395 8.5059 127.9933 54.3455 18.7156 178.4683 15 G 3.8821 9.2126 110.8391 45.1584 0.0000 173.6655 16 G 3.9649 7.8099 107.7351 45.4144 0.0000 172.1776 17 S 5.4789 7.8576 114.0735 55.4915 65.7069 172.6424 18 L 4.3202 7.2415 119.8001 54.5162 44.9076 172.5569 19 R 4.3886 8.5405 126.8894 54.3260 31.3642 174.8822 20 L 4.1619 7.8976 126.6839 54.4973 42.9907 176.3317 21 S 5.3874 8.6188 115.6434 56.9725 66.6295 173.0211 22 C 5.4663 9.5238 124.4930 55.5002 44.9156 172.5834 23 T 5.1340 9.4600 122.9076 61.6187 71.4599 172.8141 24 A 4.7182 8.2652 128.7393 51.3311 19.7966 176.3917 25 S 4.4436 9.1141 117.4069 55.9932 66.9274 173.4053 26 G 3.7147 8.7805 104.0051 47.2876 0.0000 171.9231 27 G 4.2292 7.9499 116.0727 45.5511 0.0000 172.5659 28 S 4.1544 8.6477 115.5795 59.2736 64.0822 174.9308 *31 S 4.4540 8.2675 117.5134 58.0709 64.2876 173.4814 32 Y 4.0206 8.4214 122.8902 60.6596 38.0708 177.9064 33 S 4.2527 8.3025 113.2957 60.6091 63.1836 175.4182 34 T 4.2325 7.9580 117.7260 64.5109 68.8005 173.9871 35 F 5.1345 8.3354 120.6009 55.8255 41.5688 175.2495 36 S 4.8211 8.7027 117.7118 56.8842 65.1196 173.4639 37 L 5.3815 8.5678 123.8359 53.4288 45.4285 175.6706 38 G 4.2823 8.1115 104.3234 45.3506 0.0000 172.4446 39 W 5.1583 9.3033 125.0220 55.6445 31.1357 175.7005 40 F 5.5102 9.7818 122.8073 55.9273 42.8870 173.8876 41 R 5.3074 8.8306 115.0104 55.5725 33.5340 174.2581 42 Q 4.6344 8.3879 119.8517 55.4810 30.6226 173.7563 43 A 4.7425 8.6437 129.6659 49.9812 20.4730 174.1400 44 P 4.4280 0.0000 0.0000 64.6790 31.5169 175.9380 45 G 4.3975 9.0665 118.6030 46.1383 0.0000 173.9085 46 Q 4.1833 6.9887 116.5273 54.9312 29.2945 176.0052 47 E 4.3203 8.2762 119.5801 55.4014 30.9183 175.9854 48 R 4.4626 8.3488 120.3823 55.9073 30.7303 175.1631 49 E 4.9072 8.7913 122.8361 54.6497 32.9445 174.5155 50 A 3.7804 8.2880 121.2780 50.7549 20.1887 176.9410 51 V 4.2683 8.0267 119.3760 64.1200 34.5841 175.4069 52 A 4.9890 7.4366 117.4775 51.2439 22.2913 175.1195 53 A 5.2959 8.7752 121.4723 50.4792 23.8095 175.1463 54 I 5.1305 9.4398 118.9731 59.6303 41.5360 174.7700 55 A 4.5913 9.3858 132.1095 51.2793 20.0944 176.8433 56 S 4.3536 8.5708 114.6806 57.9151 65.5384 174.1010 57 M 3.0511 8.2075 113.4520 54.4393 29.6352 177.5280 58 G 3.6823 8.1141 113.0324 45.2439 0.0000 175.2818 59 G 4.1640 7.3754 108.6704 45.0065 0.0000 173.3727 60 L 4.1888 8.3332 120.2934 54.7937 42.5262 176.1940 61 T 5.0625 8.2969 114.0105 60.1143 71.3534 173.3515 62 Y 4.7563 8.6424 120.9454 56.4694 41.8294 174.1030 63 Y 5.3098 8.6341 119.3399 55.8510 41.9633 175.3371 64 A 4.1943 8.7368 123.7188 52.0564 19.6830 178.6055 65 D 4.2830 8.9754 120.1637 57.6149 41.0342 179.5088 66 S 4.1511 8.0777 111.3856 60.5774 62.9688 175.1061 67 V 3.8893 7.3550 111.9533 60.2503 32.5278 175.3114 68 K 3.9137 7.6772 122.4654 57.6597 32.6661 174.9409 69 G 4.2213 8.7316 115.9606 46.2037 0.0000 174.9852 70 R 4.1508 7.7021 118.3785 58.6266 30.7276 176.5634 71 F 4.8593 8.0165 116.0986 58.0579 40.0997 175.6300 72 T 4.5985 8.8948 118.5346 62.2570 71.7091 172.7214 73 I 5.3663 9.3770 127.6669 60.0747 39.3594 174.8174 74 S 4.9602 8.5568 121.7946 57.8617 66.7863 172.1825 75 R 5.2276 8.3036 114.2799 55.3797 32.3004 174.5105 76 D 4.7010 9.0386 119.9284 52.6455 42.9875 175.8846 77 N 4.7482 9.0665 124.6859 56.0479 39.1722 177.8561 78 A 3.9775 8.2071 120.4926 54.9486 18.5088 178.3322 79 K 4.1045 8.5116 112.4812 56.0173 33.0756 176.2741 80 N 3.1400 7.3558 115.7630 54.3561 36.4524 173.7561 81 T 5.1293 7.6198 113.2127 61.7416 73.0492 174.5177 82 V 5.0923 9.0198 125.2984 61.5846 34.5226 174.4465 83 T 5.2357 9.1745 123.0902 61.7093 72.9247 172.7065 84 L 4.6139 8.3418 127.1787 53.2804 44.6872 175.1874 85 Q 4.1314 8.6156 129.7940 55.0991 30.1329 174.4702 86 M 3.8359 8.0337 128.2825 54.2085 32.5741 176.7526 87 N 4.2747 8.4707 120.7414 54.7847 39.5800 176.2317 88 N 4.9068 7.7169 116.4989 51.3573 37.4467 173.5983 89 L 4.4671 8.2938 121.3931 55.2086 43.4534 177.3500 90 K 5.0018 9.3921 122.0823 53.7643 35.5611 175.7284 91 P 4.8058 0.0000 0.0000 64.5406 31.4618 178.3391 92 E 4.1656 8.0685 116.3552 58.3955 29.7232 177.4711 93 D 4.6702 8.4677 118.2473 56.4155 41.2801 176.5190 94 T 4.2382 7.4010 115.6310 64.8304 69.0769 173.4938 95 A 4.3230 8.6721 127.3725 52.0137 24.2631 174.0420 96 I 4.7197 7.7727 119.2474 60.2226 39.5110 174.1106 97 Y 5.0500 9.2756 128.4058 57.2472 39.4384 174.1778 98 Y 5.0757 9.2603 122.5654 56.7072 40.6472 174.6288 99 C 4.1071 9.1504 123.2231 55.8732 40.4477 171.8742 100 A 4.7383 7.4295 121.6784 51.1938 22.6463 174.9969 101 A 5.4961 8.7775 119.9872 51.2861 23.4910 175.8265 102 V 4.7867 8.7538 117.4047 60.6281 35.2490 174.1151 103 R 3.5937 8.4476 124.6503 54.3729 28.5621 176.5141 104 G 3.9498 7.4837 114.4839 45.7940 0.0000 169.5042 105 Y 4.4529 8.2646 121.7063 56.2227 41.7784 174.4363 106 F 4.6147 6.5988 119.5614 55.8793 41.1080 173.6736 107 M 4.9097 8.1380 116.3011 53.7860 32.7049 175.2932 108 R 3.7824 6.8112 116.9283 54.3375 34.2850 174.5757 109 L 3.9235 7.8893 120.9646 53.3364 40.8466 174.6881 110 P 4.1820 0.0000 0.0000 62.2046 31.8312 174.4830 111 S 5.0905 8.2813 112.0302 56.4466 66.0702 174.5955 112 S 4.1312 9.3650 115.5745 62.4380 62.3683 176.2850 113 H 4.8291 8.2274 111.3530 56.0828 28.2402 175.2468 114 N 4.5528 8.1358 116.7852 53.5060 39.1014 174.8621 115 F 4.7906 7.6346 117.2845 55.6888 41.3754 175.0128 116 R 4.2521 8.5616 123.6550 57.7790 31.3923 175.7785 117 Y 4.9648 7.7573 115.9679 56.3508 40.2732 175.1123 118 W 5.4990 8.8282 121.0863 55.1844 33.7929 174.8986 119 G 4.1356 8.9571 109.6990 45.3879 0.0000 173.7531 120 Q 4.5990 8.9027 116.7264 55.4822 29.0850 177.2510 121 G 3.6348 9.4437 103.3896 45.8904 0.0000 173.6876 122 T 4.5561 7.8823 116.0393 61.9282 73.1557 173.3031 123 Q 4.4051 8.8630 128.8157 56.1140 30.7570 174.8472 124 V 4.7240 8.8894 125.5363 61.5814 34.9647 174.0058 125 T 4.8904 8.9580 125.0590 61.8069 71.0142 173.1458 126 V 5.4572 9.1503 127.5998 60.3916 33.6967 174.6268 127 S 4.8646 8.4334 121.5421 55.9524 66.6064 173.2428 128 S 4.2871 8.7864 118.4574 59.3998 62.9238 174.9658 *129 R 4.1503 8.4454 123.2299 56.5423 29.8986 173.9048 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 V 8.28 5.06 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 -0.22 0.00 0.00 0.48 0.00 0.00 3 Q 8.63 4.56 0.00 2.13 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.78 0.00 0.00 0.00 0.00 0.00 2.20 2.40 0.00 4 L 8.73 5.10 0.00 1.80 1.57 0.96 0.73 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 5 V 8.74 4.34 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 1.01 0.00 0.00 0.94 0.00 0.00 6 E 8.90 5.09 0.00 2.00 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 0.00 2.46 2.40 0.00 7 S 8.70 4.43 0.00 3.74 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 G 9.84 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 9 G 8.47 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 10 G 7.39 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 S 8.23 5.31 0.00 3.85 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 12 V 9.08 4.57 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 0.66 0.00 0.00 0.89 0.00 0.00 13 Q 8.47 4.81 0.00 2.15 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.00 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 14 A 8.51 4.24 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 G 9.21 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.81 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 17 S 7.86 5.48 0.00 3.80 3.70 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 18 L 7.24 4.32 0.00 1.56 1.18 0.80 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.54 4.39 0.00 1.86 1.72 0.00 3.24 0.00 0.00 3.19 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.50 0.00 20 L 7.90 4.16 0.00 0.54 0.93 0.30 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.62 5.39 0.00 3.88 3.70 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 22 C 9.52 5.47 0.00 2.94 2.87 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 23 T 9.46 5.13 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 1.14 0.00 0.00 24 A 8.27 4.72 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 25 S 9.11 4.44 0.00 3.77 3.66 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 26 G 8.78 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.95 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 28 S 8.65 4.15 0.00 3.95 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 *31 S 8.27 4.45 0.00 3.82 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 32 Y 8.42 4.02 0.00 2.90 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 33 S 8.30 4.25 0.00 4.06 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 34 T 7.96 4.23 4.55 0.00 0.00 0.00 0.00 0.00 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 35 F 8.34 5.13 0.00 2.51 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 36 S 8.70 4.82 0.00 3.13 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 37 L 8.57 5.38 0.00 1.66 1.52 0.81 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 38 G 8.11 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 39 W 9.30 5.16 0.00 3.45 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 F 9.78 5.51 0.00 3.30 3.33 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 41 R 8.83 5.31 0.00 0.91 1.06 0.00 2.80 0.00 0.00 3.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.28 0.00 42 Q 8.39 4.63 0.00 2.28 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.90 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 43 A 8.64 4.74 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 P 0.00 4.43 0.00 2.08 2.05 0.00 3.68 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 2.12 0.00 45 G 9.07 4.40 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 0.00 46 Q 6.99 4.18 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.83 0.00 0.00 0.00 0.00 0.00 2.41 2.35 0.00 47 E 8.28 4.32 0.00 1.98 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 2.30 2.30 0.00 48 R 8.35 4.46 0.00 1.73 1.84 0.00 3.17 0.00 0.00 2.95 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.09 0.00 49 E 8.79 4.91 0.00 2.10 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 0.00 2.36 2.23 0.00 50 A 8.29 3.78 0.66 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 0.00 0.00 51 V 8.03 4.27 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 1.00 0.00 0.00 52 A 7.44 4.99 1.34 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 0.00 0.00 0.00 53 A 8.78 5.30 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 I 9.44 5.13 1.99 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 1.25 1.47 1.11 0.00 0.00 55 A 9.39 4.59 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 S 8.57 4.35 0.00 4.07 4.06 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 57 M 8.21 3.05 0.00 1.96 1.79 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 58 G 8.11 3.68 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 0.00 0.00 0.00 59 G 7.38 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 0.00 0.00 0.00 60 L 8.33 4.19 0.00 1.82 1.53 1.12 0.58 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 61 T 8.30 5.06 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 1.35 0.00 0.00 62 Y 8.64 4.76 0.00 2.86 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 63 Y 8.63 5.31 0.00 2.82 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 64 A 8.74 4.19 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 D 8.98 4.28 0.00 2.71 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 66 S 8.08 4.15 0.00 3.90 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 67 V 7.35 3.89 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 0.18 0.00 0.00 0.87 0.00 0.00 68 K 7.68 3.91 0.00 1.87 1.66 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.34 1.26 7.81 69 G 8.73 4.22 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 0.00 70 R 7.70 4.15 0.00 2.05 2.15 0.00 3.37 0.00 0.00 3.35 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.64 0.00 71 F 8.02 4.86 0.00 2.91 3.08 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 72 T 8.89 4.60 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 1.29 0.00 0.00 73 I 9.38 5.37 2.10 0.00 0.00 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 1.11 1.66 0.88 0.00 0.00 74 S 8.56 4.96 0.00 3.96 4.01 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 0.00 0.00 0.00 75 R 8.30 5.23 0.00 2.00 2.05 0.00 3.05 0.00 0.00 3.21 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.73 0.00 76 D 9.04 4.70 0.00 2.75 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 77 N 9.07 4.75 0.00 2.89 3.02 0.00 0.00 6.94 7.54 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 78 A 8.21 3.98 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 79 K 8.51 4.10 0.00 1.67 1.79 0.00 1.85 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 1.54 7.81 80 N 7.36 3.14 0.00 2.58 2.09 0.00 0.00 6.67 6.71 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 81 T 7.62 5.13 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 1.27 0.00 0.00 82 V 9.02 5.09 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 1.28 0.00 0.00 1.09 0.00 0.00 83 T 9.17 5.24 4.32 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 1.23 0.00 0.00 84 L 8.34 4.61 0.00 0.33 0.28 1.06 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 85 Q 8.62 4.13 0.00 2.15 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.58 0.00 0.00 0.00 0.00 0.00 2.23 2.27 0.00 86 M 8.03 3.84 0.00 0.90 1.37 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.81 0.00 87 N 8.47 4.27 0.00 2.81 2.84 0.00 0.00 6.83 7.88 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 88 N 7.72 4.91 0.00 2.72 2.75 0.00 0.00 6.97 7.78 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 89 L 8.29 4.47 0.00 1.77 1.61 0.82 0.72 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 90 K 9.39 5.00 0.00 1.69 1.84 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.36 1.62 7.81 91 P 0.00 4.81 0.00 2.19 2.13 0.00 3.89 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.10 0.00 92 E 8.07 4.17 0.00 1.98 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 0.00 2.34 2.28 0.00 93 D 8.47 4.67 0.00 2.91 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 94 T 7.40 4.24 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 95 A 8.67 4.32 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 96 I 7.77 4.72 1.85 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 1.33 1.05 0.00 0.00 97 Y 9.28 5.05 0.00 3.07 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 Y 9.26 5.08 0.00 3.38 3.33 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 99 C 9.15 4.11 0.00 2.02 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 A 7.43 4.74 -0.31 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 0.00 101 A 8.78 5.50 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.75 4.79 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 0.62 0.00 0.00 0.86 0.00 0.00 103 R 8.45 3.59 0.00 1.28 1.63 0.00 3.16 0.00 0.00 3.10 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.59 0.00 104 G 7.48 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 0.00 0.00 0.00 105 Y 8.26 4.45 0.00 2.68 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 0.00 106 F 6.60 4.61 0.00 2.66 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 0.00 107 M 8.14 4.91 0.00 2.02 1.98 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.45 0.00 108 R 6.81 3.78 0.00 1.38 1.59 0.00 3.04 0.00 0.00 2.90 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.52 0.00 109 L 7.89 3.92 0.00 1.60 1.52 0.79 0.77 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 0.00 110 P 0.00 4.18 0.00 1.60 0.76 0.00 3.26 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.44 0.00 111 S 8.28 5.09 0.00 4.11 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 0.00 112 S 9.37 4.13 0.00 4.04 4.10 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 0.00 113 H 8.23 4.83 0.00 3.29 3.42 0.00 5.51 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 N 8.14 4.55 0.00 2.32 2.44 0.00 0.00 6.75 7.00 0.00 0.00 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 F 7.63 4.79 0.00 2.43 2.63 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 0.00 116 R 8.56 4.25 0.00 1.52 1.04 0.00 3.00 0.00 0.00 2.78 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 1.34 0.00 117 Y 7.76 4.96 0.00 3.15 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 0.00 118 W 8.83 5.50 0.00 3.01 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 0.00 119 G 8.96 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 Q 8.90 4.60 0.00 2.13 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.46 0.00 0.00 0.00 0.00 0.00 2.38 2.35 0.00 121 G 9.44 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 0.00 0.00 0.00 0.00 122 T 7.88 4.56 4.37 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 1.28 0.00 0.00 123 Q 8.86 4.41 0.00 2.20 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.86 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 124 V 8.89 4.72 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 0.74 0.00 0.00 0.62 0.00 0.00 125 T 8.96 4.89 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 1.23 0.00 0.00 126 V 9.15 5.46 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 0.75 0.00 0.00 0.95 0.00 0.00 127 S 8.43 4.86 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 0.00 128 S 8.79 4.29 0.00 3.91 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 *129 R 8.45 4.15 0.00 1.62 1.73 0.00 3.28 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 1.45 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.