NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.3393 8.3027 118.8051 55.9728 30.0794 172.9201 2 V 4.9269 7.5831 125.3747 60.4503 34.2142 172.5324 3 Q 4.7974 9.6093 124.6264 55.5167 32.9335 172.5402 4 L 5.0586 8.4567 119.0390 53.1692 45.3388 176.1040 5 V 4.4419 8.9750 124.9573 61.1371 33.4043 174.4353 6 E 5.3410 8.6891 126.2002 55.4961 32.8961 174.5612 7 S 4.4547 9.1675 114.4147 57.9257 66.6053 175.1796 8 G 4.0680 9.2580 107.1788 45.2122 0.0000 174.4599 9 G 3.8200 7.1530 108.0473 44.6423 0.0000 174.0357 10 G 3.8823 7.6750 105.3377 45.7699 0.0000 170.4939 11 L 5.0590 8.4024 121.5232 53.8907 43.4964 177.2247 12 V 4.5694 8.7531 125.2010 60.9417 35.5099 174.8320 13 K 4.6624 8.5553 125.2648 55.2951 33.5934 174.8174 14 P 4.5013 0.0000 0.0000 64.2308 31.7482 176.6094 15 G 3.9837 9.1684 111.8258 45.2689 0.0000 174.0532 16 G 3.9386 7.8804 106.4866 46.0432 0.0000 172.5611 17 S 5.2513 8.2580 114.2420 56.9429 66.8677 173.6359 18 L 4.3979 8.1939 121.5830 54.0096 45.9013 173.9273 19 R 4.8271 8.3916 125.0027 54.6440 32.3132 174.3433 20 L 4.9323 8.7120 127.4666 53.6164 44.0710 175.9293 21 T 5.2613 8.8016 111.4695 60.2004 72.7785 171.9183 22 C 5.3079 9.2380 122.8817 55.0522 47.1535 172.5395 23 V 4.7740 8.7832 126.0669 61.0965 33.3681 174.3727 24 A 5.4035 8.1522 129.3319 50.6659 21.9128 175.7052 25 S 4.2731 8.6789 111.8033 58.6886 66.3933 175.8444 26 G 4.2405 10.6078 109.7978 46.2778 0.0000 172.5469 27 F 4.7596 6.8200 112.2018 56.0619 40.4323 174.7471 28 T 4.1703 8.4300 118.0705 62.7178 67.1902 175.0621 29 F 4.1340 8.8068 129.4275 61.1668 39.4446 177.7640 30 S 4.2975 8.2978 112.7959 61.1254 62.6432 174.7290 31 D 4.6116 7.9764 118.8941 55.2681 41.0679 176.4727 32 V 4.5272 7.2841 111.9010 59.5103 34.0666 175.5677 33 W 4.8788 8.6266 122.0433 56.0905 31.0226 175.3870 34 L 5.2898 8.6019 122.7096 53.0919 44.7296 175.3107 35 N 5.6525 9.2099 118.8606 51.3104 43.1209 173.2190 36 W 5.0714 8.8911 121.0129 55.1393 32.1422 175.3948 37 V 5.1776 9.1580 117.2114 59.7856 35.8773 174.5871 38 R 4.9695 8.8473 117.2201 55.0389 33.3426 174.1670 39 Q 4.7238 8.9080 121.4082 54.4421 32.2254 174.5342 40 A 4.5129 8.5842 129.6053 50.6134 19.5194 174.5745 41 P 4.1311 0.0000 0.0000 64.3492 31.8713 175.7644 42 G 4.3368 9.1380 114.4762 45.7265 0.0000 173.8376 43 K 4.2411 7.2794 116.5066 55.8006 32.8595 176.1419 44 G 4.1250 8.1098 108.7346 43.6267 0.0000 173.3233 45 L 4.3435 8.4103 119.2013 55.3143 42.3193 176.7096 46 E 4.7919 9.3856 124.0043 53.9852 32.8574 174.3687 47 W 4.6081 9.1262 135.0000 57.6640 31.2182 175.5710 48 V 3.7824 8.6792 127.4520 63.2294 32.8791 175.6931 49 G 3.2012 5.7129 105.4806 46.1235 0.0000 171.1183 50 R 5.3205 7.6716 115.1831 55.1412 33.7487 173.9522 51 I 4.7466 8.4670 119.1954 59.0785 41.0495 175.1349 52 K 3.2831 8.4583 129.3995 55.2303 33.5161 176.6261 52A S 4.3562 8.1625 115.8354 58.1110 64.1590 175.3579 52B R 3.8431 8.7136 120.5077 60.0348 29.5471 178.8739 52C T 4.0136 7.9774 114.2324 65.8202 68.4374 175.0653 53 D 4.9231 7.3876 117.6280 54.1175 41.7694 177.4191 54 G 3.8589 8.1268 110.7443 44.1876 0.0000 175.5358 55 G 3.9572 7.9718 106.6941 46.1302 0.0000 173.8530 56 T 4.3077 7.0862 109.1983 61.3274 70.2749 173.4061 57 T 4.9148 8.2089 111.8846 59.9679 71.6934 172.8583 58 D 5.0142 8.2942 122.3349 52.8157 44.6936 174.5606 59 Y 5.1463 8.4380 117.7576 55.8124 42.0070 175.2387 60 A 4.5073 8.7289 124.7225 51.9282 19.1964 178.5804 61 A 3.9926 9.0368 123.8231 55.3519 18.5137 179.3329 62 S 4.3047 8.0025 108.2514 60.1545 63.5888 174.9211 63 V 3.9014 7.7842 112.5453 60.0181 33.2635 175.2780 64 K 3.9210 7.7730 122.0222 57.6647 32.5500 175.3165 65 G 4.0871 8.8495 113.2883 45.0530 0.0000 174.1134 66 R 4.4928 7.7526 116.7317 56.4371 32.5792 176.3938 67 F 5.3847 7.9677 116.3016 56.1289 41.4757 175.8957 68 T 4.7066 8.5615 117.4050 62.1640 72.5736 173.0168 69 I 5.3629 9.2180 126.9975 59.2852 39.8114 174.9984 70 S 4.9411 8.5378 118.0793 57.6148 66.2405 173.0005 71 R 5.2491 8.6158 116.0698 54.8545 32.8355 174.6146 72 D 4.8879 9.2633 120.2443 51.9566 41.2650 175.4377 73 D 4.8077 8.8492 123.9161 56.8843 41.4973 178.9109 74 S 4.1894 7.6656 113.1190 60.6485 62.3133 174.4842 75 K 4.5053 7.8200 118.4411 56.9032 33.2511 175.6113 76 N 3.1400 7.5205 113.0775 55.4457 36.7521 174.2348 77 T 4.7577 6.6717 112.3324 61.4859 72.9681 174.0827 78 L 5.2124 8.9652 127.7473 53.5575 44.8971 174.6118 79 Y 5.5188 9.3034 122.7524 56.2921 42.1684 174.7878 80 L 4.5312 8.8316 123.6896 53.4315 45.1111 174.7403 81 Q 4.4706 8.8620 129.4749 55.0533 30.6153 174.0111 82 M 4.1847 8.7507 127.1280 53.4292 34.0083 175.0223 82A N 5.0886 8.4764 120.5840 50.9554 42.4378 174.1573 82B S 3.7979 8.5362 113.3869 59.4165 60.8422 173.4115 82C L 4.3583 7.6066 119.2233 55.0197 42.5123 177.2798 83 K 4.9143 9.6287 122.2126 54.3015 35.0998 177.4743 84 T 4.3046 8.7907 111.1145 64.1138 68.4961 175.5270 85 E 4.2220 8.1196 117.4825 57.6745 29.8106 176.8164 86 D 4.7340 8.5002 119.2548 55.2105 41.4542 176.6463 87 T 4.3074 7.8389 117.2549 64.2534 68.8930 173.5060 88 A 4.3516 8.7016 127.2070 51.6765 23.9732 174.7227 89 V 4.4809 7.9444 119.6345 62.6713 32.8780 174.3079 90 Y 5.4123 9.3349 126.3224 56.4821 40.2616 175.0194 91 S 5.4559 9.4428 117.7819 56.9515 67.3757 170.4850 92 C 4.8701 9.3171 116.6445 54.2973 40.8160 172.5668 93 T 5.3279 8.6033 109.6715 59.6590 72.3667 172.5386 94 T 4.8758 8.0133 111.9561 60.0513 72.1484 172.8278 95 D 4.8565 8.6302 123.8116 53.8753 41.7298 176.2215 96 G 4.0315 8.7051 114.9857 45.3500 0.0000 171.4846 97 F 5.5861 7.7136 111.9470 56.0641 40.5960 173.4617 98 I 4.5380 9.0894 122.2334 59.9627 39.3240 174.0974 99 M 4.8611 8.7838 126.9385 53.9235 34.0130 174.9138 100 I 4.5627 8.8152 126.3436 59.5601 41.0836 174.7011 100A R 4.6045 8.7153 126.1929 55.0070 30.6723 176.7182 100B G 4.1077 9.0290 115.5736 44.2723 0.0000 172.8906 100C V 3.7593 8.5825 117.9932 64.4034 31.3669 177.0019 100D S 4.5948 8.1096 112.4391 57.4042 64.2306 172.9132 100E E 4.7058 8.0324 118.0103 54.3252 32.6268 173.7421 100F D 5.3528 8.3445 119.6009 53.0533 42.9233 175.4826 100G Y 4.5492 9.5344 122.2299 56.6455 40.1782 174.3316 100H Y 4.6406 8.6157 121.4330 56.4628 40.3056 174.7225 100I Y 4.5741 8.9222 123.4384 56.6003 39.6962 175.2748 100J Y 5.3027 8.8591 122.4455 57.9302 39.6578 174.3465 100K Y 4.8687 8.5147 117.7462 56.3436 42.0173 173.5567 100L M 4.1469 8.8440 120.4939 55.8885 31.7241 175.5065 101 D 4.5061 8.5265 125.1169 55.4256 41.4194 175.9558 102 V 4.4183 7.6193 117.9245 61.4978 33.4812 174.3784 103 W 5.0835 8.9414 126.3705 54.8746 31.3456 175.4130 104 G 4.2006 8.6272 110.5352 44.6223 0.0000 174.9433 105 K 4.0563 8.7704 119.3323 57.3480 32.4177 178.7422 106 G 4.2177 8.4434 103.8450 45.4928 0.0000 172.4784 107 T 4.7581 8.8631 112.7628 60.4552 70.5942 172.8589 108 T 4.5371 8.7220 125.4093 63.3483 70.2864 173.5212 109 V 4.6646 9.1046 126.6656 61.6409 34.0598 174.1841 110 T 4.8580 8.9108 125.9991 62.0046 70.7104 174.0770 111 V 4.6706 9.0582 128.2729 61.5899 32.3497 174.1087 112 S 4.7898 8.6007 121.1820 56.8017 65.4768 174.0189 113 S 4.3414 8.7057 118.1736 58.6018 63.6123 174.4531 114 A 3.9510 7.4789 124.9740 52.3110 18.4973 176.5601 115 S 4.5848 7.7291 113.7932 56.1678 66.4612 173.5375 116 T 4.4360 8.3887 115.7595 63.8489 68.6953 173.8158 117 K 4.5414 9.5294 126.0316 55.2825 36.2004 175.4140 118 G 4.3030 8.8868 114.8709 45.4895 0.0000 170.9372 119 P 5.3598 0.0000 0.0000 61.3708 33.2149 175.1967 120 S 4.8600 8.4731 116.3841 56.3546 64.6630 173.7390 121 V 4.8044 7.7579 123.7943 60.3193 33.5637 174.0248 122 F 5.4940 8.8205 125.9116 53.9675 42.5666 172.9552 123 P 4.6380 0.0000 0.0000 62.8513 32.9828 175.2423 124 L 5.2437 8.7518 122.2038 52.6209 42.8501 175.1180 125 A 4.9311 8.4822 125.4685 48.1456 22.0955 174.3842 126 P 4.3643 0.0000 0.0000 63.1024 31.5054 176.0836 127 C 3.9988 8.3388 123.0129 62.6694 32.2161 172.9637 128 S 4.7039 7.5978 113.2215 57.0179 62.8722 173.2349 129 R 3.8994 8.4457 126.4681 56.7501 29.1015 176.4123 130 S 4.1662 8.3749 122.7697 58.4326 62.1109 175.2936 116 T 4.4360 8.3887 115.7595 63.8489 68.6953 173.8158 117 S 4.6914 9.5494 121.3316 57.3825 66.9004 173.4140 118 G 4.3030 8.8868 114.8709 45.4895 0.0000 170.9372 119 G 4.8998 8.3720 107.2072 43.1708 0.0000 172.7967 120 T 4.7400 8.3131 114.2841 59.8546 70.6630 173.8390 121 A 5.0044 7.9679 128.3943 50.6193 19.7637 175.5248 122 A 5.1940 8.7605 129.4116 48.7675 22.0666 174.9552 123 L 4.5580 8.4551 122.4149 54.6513 43.2828 175.5423 124 G 4.8637 8.9218 109.2038 42.6209 0.0000 172.4180 125 C 5.1611 8.5622 120.2685 53.8456 30.9955 171.1842 126 L 4.2843 8.4681 120.5667 54.9024 41.8054 176.3836 127 V 3.5688 8.0488 123.6130 66.6694 37.1161 174.6637 128 K 4.5539 7.5778 117.9215 54.9179 32.1722 175.2349 129 D 4.1994 8.5557 126.3681 54.9501 39.3015 176.4123 130 Y 4.2462 8.1849 127.3697 58.0326 36.1109 176.5936 148 F 4.6075 8.5544 117.5375 57.3662 42.0748 171.7212 149 P 3.7764 0.0000 0.0000 61.3471 33.9286 175.0647 150 E 4.1582 8.0246 118.6169 56.0800 30.0881 173.7822 151 P 4.8924 0.0000 0.0000 60.9883 34.0108 173.9839 152 V 4.2917 7.9924 117.8203 61.3045 33.6659 174.4713 153 T 4.6564 8.7277 124.2867 61.8079 71.4019 173.5934 154 V 5.1023 8.2364 124.4509 59.9589 35.0247 174.4575 *156 S 5.1134 8.4623 120.9271 58.3138 65.0521 172.1563 157 W 5.2515 8.3518 119.1518 53.5001 32.2851 176.2101 *162 N 4.6259 8.2270 120.8571 54.1536 39.2280 174.9385 163 S 3.8741 10.0916 108.0137 59.5459 61.5011 174.4800 164 G 4.0104 8.3544 108.9363 45.2469 0.0000 175.5005 165 A 4.0342 7.8832 122.0902 53.8441 18.5931 177.1994 166 L 4.6801 7.9131 117.6511 53.8100 43.0631 175.5181 167 T 4.5970 8.3628 118.4468 61.8396 69.3630 173.9379 168 S 4.2869 8.1218 117.3831 59.2024 63.6191 174.0022 169 G 3.6535 8.6272 112.1994 46.3206 0.0000 172.4397 *171 V 4.1728 7.6002 117.8291 62.7971 32.7366 174.4989 172 H 4.5837 9.7057 124.2096 54.5900 32.3387 172.4363 173 T 5.1148 8.4028 120.9448 61.9432 69.5705 174.9153 174 F 4.4731 9.3363 126.2003 56.0450 39.9683 174.4539 175 P 4.4221 0.0000 0.0000 62.6246 31.8604 176.2733 176 A 4.7589 8.5214 122.6006 52.0996 19.4373 177.0515 177 V 4.4365 8.8141 119.7822 59.9327 34.1296 174.4416 178 L 4.2002 8.3971 125.4893 53.9122 43.3241 175.8678 179 Q 4.4243 8.2796 125.0433 54.4801 30.7051 177.1083 180 S 3.9679 8.6046 116.8958 61.6569 62.9783 176.2063 *182 S 4.3066 7.9571 112.8168 57.0520 64.4156 174.6272 183 G 3.8916 7.9845 107.9242 44.6530 0.0000 173.2407 184 L 4.8152 7.4995 119.8165 54.0858 43.5974 175.5704 185 Y 4.9675 8.2215 118.5407 56.9278 40.6337 175.2488 186 S 5.8805 8.4734 115.9333 57.6977 67.8838 173.5334 187 L 5.3156 8.7573 122.7629 54.7432 44.0495 174.9048 188 S 5.7499 8.7395 113.4057 57.0625 67.4211 173.3164 189 S 5.3352 8.8355 115.7380 57.0498 65.1336 173.4243 190 V 5.6702 9.5369 120.1824 59.6394 35.6708 174.9074 191 V 4.7503 7.8419 121.9430 60.0873 34.0611 174.5760 192 T 5.4206 8.5374 114.6116 60.2735 70.1932 174.0955 193 V 4.5207 7.9426 117.8034 58.2685 35.9708 173.4968 194 P 4.3594 0.0000 0.0000 62.8159 31.2358 177.8389 195 S 4.0450 8.9346 121.2773 61.9331 62.9320 176.1177 196 S 4.4195 8.0954 110.7537 59.1488 62.1982 173.9439 197 S 4.6387 8.3011 114.1959 58.8173 64.6024 174.1166 198 L 4.2002 7.3370 120.4378 56.1490 41.6588 176.1259 199 G 4.0264 9.3451 114.2091 46.4907 0.0000 175.2085 200 T 3.8074 8.4023 111.0750 64.3708 69.1979 173.8677 *203 Q 4.6868 7.8591 118.2943 55.5602 29.6237 173.5958 *205 T 4.6747 7.9540 105.7884 62.2642 69.7736 172.6297 206 Y 4.9486 8.2212 118.2541 56.8640 41.4739 174.4929 207 T 5.1439 9.6894 122.3608 61.6938 71.8216 170.9324 208 C 3.6222 8.5821 121.7625 53.8614 38.4706 172.4461 209 N 5.1546 8.8958 121.9824 51.0434 39.7403 174.2115 210 V 4.2930 8.9535 126.3650 61.3695 33.2133 174.0137 211 N 5.1290 9.0751 128.1404 52.2275 41.2914 172.8729 212 H 4.7326 9.1638 127.4782 53.5132 29.8636 173.8123 213 K 3.7920 8.5266 122.8184 58.6699 32.3892 177.3173 214 P 4.3070 0.0000 0.0000 64.9846 31.1951 177.0373 215 S 4.5862 7.6515 108.7632 56.9491 63.9431 173.5237 216 N 4.1308 8.3201 117.1689 55.4717 36.3705 174.3548 217 T 4.7215 7.8954 113.3477 61.6249 72.5093 175.1781 218 K 5.0253 8.6779 124.5873 54.5226 35.4858 175.6904 219 V 4.3564 9.0530 124.4125 61.0888 34.9253 173.6393 220 D 5.1947 8.6798 127.0795 52.3878 43.7327 174.8067 221 K 4.4300 8.6664 125.0968 54.3440 35.1387 174.9161 222 R 4.7082 8.7408 128.4617 56.1037 31.2228 175.3129 223 V 4.2913 8.9395 126.7658 61.5303 33.4389 174.9279 *226 E 4.8993 8.5499 125.5395 55.6806 30.7044 175.5516 227 L 4.3050 8.4390 120.5473 55.9212 42.6372 173.2350 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 1 E 8.30 4.34 0.00 2.20 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 2.29 2.34 0.00 2 V 7.58 4.93 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 0.91 0.00 0.00 1.11 0.00 0.00 3 Q 9.61 4.80 0.00 2.21 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.53 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 4 L 8.46 5.06 0.00 1.53 1.58 0.91 1.00 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 5 V 8.97 4.44 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 1.10 0.00 0.00 0.96 0.00 0.00 6 E 8.69 5.34 0.00 2.35 2.17 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 2.42 2.60 0.00 7 S 9.17 4.45 0.00 3.92 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 8 G 9.26 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 G 7.15 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 0.00 0.00 0.00 10 G 7.67 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 11 L 8.40 5.06 0.00 1.77 1.65 1.10 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 12 V 8.75 4.57 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 0.88 0.00 0.00 0.89 0.00 0.00 13 K 8.56 4.66 0.00 1.70 1.69 0.00 1.71 0.00 0.00 1.78 0.00 0.00 2.83 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.51 1.40 7.81 14 P 0.00 4.50 0.00 2.02 1.98 0.00 3.62 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 15 G 9.17 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 16 G 7.88 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 17 S 8.26 5.25 0.00 3.64 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 18 L 8.19 4.40 0.00 1.59 1.18 0.87 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.39 4.83 0.00 1.71 1.71 0.00 3.46 0.00 0.00 3.12 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 20 L 8.71 4.93 0.00 1.07 1.50 0.33 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 21 T 8.80 5.26 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 1.53 0.00 0.00 22 C 9.24 5.31 0.00 2.90 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 23 V 8.78 4.77 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.84 0.00 0.00 24 A 8.15 5.40 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 25 S 8.68 4.27 0.00 3.78 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 26 G 10.61 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 0.00 0.00 0.00 0.00 27 F 6.82 4.76 0.00 3.17 3.01 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 28 T 8.43 4.17 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 29 F 8.81 4.13 0.00 2.78 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 30 S 8.30 4.30 0.00 4.06 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 31 D 7.98 4.61 0.00 2.94 2.84 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 32 V 7.28 4.53 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 0.73 0.00 0.00 1.01 0.00 0.00 33 W 8.63 4.88 0.00 3.19 3.05 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 34 L 8.60 5.29 0.00 1.52 1.38 0.80 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 35 N 9.21 5.65 0.00 2.50 2.80 0.00 0.00 6.81 7.72 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 36 W 8.89 5.07 0.00 3.22 3.13 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 37 V 9.16 5.18 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 0.82 0.00 0.00 1.08 0.00 0.00 38 R 8.85 4.97 0.00 1.13 1.13 0.00 2.45 0.00 0.00 2.85 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.43 0.00 39 Q 8.91 4.72 0.00 2.17 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.96 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 40 A 8.58 4.51 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 41 P 0.00 4.13 0.00 2.08 2.08 0.00 3.75 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.16 0.00 42 G 9.14 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 0.00 0.00 0.00 0.00 43 K 7.28 4.24 0.00 1.86 1.83 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.83 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.41 7.81 44 G 8.11 4.13 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 0.00 45 L 8.41 4.34 0.00 1.67 1.80 1.36 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 46 E 9.39 4.79 0.00 2.02 1.78 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 2.25 2.32 0.00 47 W 9.13 4.61 0.00 3.36 3.17 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 48 V 8.68 3.78 2.24 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 1.01 0.00 0.00 1.00 0.00 0.00 49 G 5.71 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 0.00 0.00 0.00 50 R 7.67 5.32 0.00 2.14 2.57 0.00 2.56 0.00 0.00 3.33 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.51 0.00 51 I 8.47 4.75 1.87 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 1.15 1.35 0.90 0.00 0.00 52 K 8.46 3.28 0.00 1.21 0.81 0.00 1.28 0.00 0.00 1.06 0.00 0.00 2.22 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.30 0.63 7.81 52A S 8.16 4.36 0.00 4.13 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 0.00 52B R 8.71 3.84 0.00 1.91 1.99 0.00 3.21 0.00 0.00 3.36 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.74 0.00 52C T 7.98 4.01 4.30 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 1.23 0.00 0.00 53 D 7.39 4.92 0.00 2.89 2.83 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 54 G 8.13 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 55 G 7.97 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 56 T 7.09 4.31 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 1.21 0.00 0.00 57 T 8.21 4.91 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 1.16 0.00 0.00 58 D 8.29 5.01 0.00 2.86 2.84 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 59 Y 8.44 5.15 0.00 2.84 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 60 A 8.73 4.51 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 61 A 9.04 3.99 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 62 S 8.00 4.30 0.00 3.93 3.99 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 63 V 7.78 3.90 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 0.10 0.00 0.00 0.71 0.00 0.00 64 K 7.77 3.92 0.00 1.75 1.70 0.00 1.86 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.40 1.47 7.81 65 G 8.85 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 66 R 7.75 4.49 0.00 1.91 2.37 0.00 3.32 0.00 0.00 3.34 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 67 F 7.97 5.38 0.00 2.63 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 68 T 8.56 4.71 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 1.28 0.00 0.00 69 I 9.22 5.36 2.01 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 1.11 1.99 1.28 0.00 0.00 70 S 8.54 4.94 0.00 3.97 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 71 R 8.62 5.25 0.00 2.05 2.04 0.00 2.95 0.00 0.00 3.13 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.70 0.00 72 D 9.26 4.89 0.00 2.98 2.64 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 73 D 8.85 4.81 0.00 2.86 2.91 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 74 S 7.67 4.19 0.00 3.74 4.33 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 75 K 7.82 4.51 0.00 1.77 1.76 0.00 1.86 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.31 1.27 7.81 76 N 7.52 3.14 0.00 2.52 2.34 0.00 0.00 6.82 6.91 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 77 T 6.67 4.76 3.99 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 0.42 0.00 0.00 78 L 8.97 5.21 0.00 1.85 1.47 1.12 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 79 Y 9.30 5.52 0.00 3.11 2.79 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 80 L 8.83 4.53 0.00 0.27 0.26 0.62 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 8.86 4.47 0.00 2.08 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.54 0.00 0.00 0.00 0.00 0.00 2.19 2.22 0.00 82 M 8.75 4.18 0.00 1.08 1.40 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.81 0.00 82A N 8.48 5.09 0.00 2.64 2.63 0.00 0.00 7.23 6.86 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 82B S 8.54 3.80 0.00 3.99 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 82C L 7.61 4.36 0.00 1.64 1.60 0.81 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 83 K 9.63 4.91 0.00 1.87 1.69 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.14 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.49 7.81 84 T 8.79 4.30 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 1.25 0.00 0.00 85 E 8.12 4.22 0.00 2.12 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 0.00 2.30 2.34 0.00 86 D 8.50 4.73 0.00 2.92 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 87 T 7.84 4.31 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 1.33 0.00 0.00 88 A 8.70 4.35 1.17 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 89 V 7.94 4.48 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 1.06 0.00 0.00 1.02 0.00 0.00 90 Y 9.33 5.41 0.00 3.11 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 91 S 9.44 5.46 0.00 4.08 4.07 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 92 C 9.32 4.87 0.00 2.46 1.84 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 93 T 8.60 5.33 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 94 T 8.01 4.88 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 1.14 0.00 0.00 95 D 8.63 4.86 0.00 2.64 2.65 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 0.00 0.00 0.00 0.00 96 G 8.71 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 97 F 7.71 5.59 0.00 2.54 2.24 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 98 I 9.09 4.54 1.88 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 1.03 0.78 0.84 0.00 0.00 99 M 8.78 4.86 0.00 1.98 1.91 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.69 0.00 100 I 8.82 4.56 1.97 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 1.20 0.86 0.85 0.00 0.00 100A R 8.72 4.60 0.00 1.70 1.91 0.00 3.20 0.00 0.00 3.24 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.61 0.00 100B G 9.03 4.11 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 0.00 0.00 0.00 100C V 8.58 3.76 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 0.77 0.00 0.00 0.95 0.00 0.00 100D S 8.11 4.59 0.00 3.85 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 100E E 8.03 4.71 0.00 1.71 1.41 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 2.24 2.08 0.00 100F D 8.34 5.35 0.00 2.56 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 100G Y 9.53 4.55 0.00 2.99 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 100H Y 8.62 4.64 0.00 2.62 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100I Y 8.92 4.57 0.00 3.08 2.97 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 100J Y 8.86 5.30 0.00 2.84 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 100K Y 8.51 4.87 0.00 3.10 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 100L M 8.84 4.15 0.00 1.05 1.97 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.39 0.00 101 D 8.53 4.51 0.00 1.75 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 0.00 0.00 0.00 102 V 7.62 4.42 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 0.95 0.00 0.00 0.71 0.00 0.00 103 W 8.94 5.08 0.00 3.08 3.13 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 0.00 104 G 8.63 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 0.00 0.00 0.00 0.00 105 K 8.77 4.06 0.00 1.83 1.94 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.49 7.81 106 G 8.44 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 0.00 107 T 8.86 4.76 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 1.44 0.00 0.00 108 T 8.72 4.54 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 1.32 0.00 0.00 109 V 9.10 4.66 2.40 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 0.92 0.00 0.00 0.72 0.00 0.00 110 T 8.91 4.86 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 1.37 0.00 0.00 111 V 9.06 4.67 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 0.96 0.00 0.00 0.97 0.00 0.00 112 S 8.60 4.79 0.00 3.88 3.58 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.71 4.34 0.00 3.96 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 0.00 114 A 7.48 3.95 0.77 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 0.00 0.00 115 S 7.73 4.58 0.00 3.94 3.76 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 0.00 116 T 8.39 4.44 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 1.37 0.00 0.00 117 K 9.53 4.54 0.00 1.86 1.74 0.00 1.67 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.45 7.81 118 G 8.89 4.30 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 0.00 119 P 0.00 5.36 0.00 2.07 2.04 0.00 3.30 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.60 0.00 120 S 8.47 4.86 0.00 3.85 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 V 7.76 4.80 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.81 0.00 0.00 122 F 8.82 5.49 0.00 3.06 2.92 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 0.00 123 P 0.00 4.64 0.00 2.21 2.26 0.00 3.91 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.10 0.00 124 L 8.75 5.24 0.00 1.60 1.69 0.98 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 125 A 8.48 4.93 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 P 0.00 4.36 0.00 2.36 2.19 0.00 3.72 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 127 C 8.34 4.00 0.00 2.97 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 0.00 128 S 7.60 4.70 0.00 3.89 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 0.00 129 R 8.45 3.90 0.00 1.81 1.89 0.00 3.29 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 130 S 8.37 4.17 0.00 3.91 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 0.00 116 T 8.39 4.44 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 1.37 0.00 0.00 117 S 9.55 4.69 0.00 3.91 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 0.00 118 G 8.89 4.30 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 0.00 119 G 8.37 4.90 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 0.00 120 T 8.31 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 1.21 0.00 0.00 121 A 7.97 5.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 A 8.76 5.19 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 0.00 123 L 8.46 4.56 0.00 1.54 1.94 0.92 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 124 G 8.92 4.86 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 0.00 125 C 8.56 5.16 0.00 2.67 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 0.00 126 L 8.47 4.28 0.00 1.69 1.87 0.92 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 127 V 8.05 3.57 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 0.95 0.00 0.00 0.93 0.00 0.00 128 K 7.58 4.55 0.00 1.84 1.58 0.00 0.61 0.00 0.00 1.70 0.00 0.00 2.13 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.29 7.81 129 D 8.56 4.20 0.00 2.67 2.78 0.00 0.00 0.00 0.00 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0.00 0.00 1.09 0.00 0.00 0.87 0.00 0.00 *156 S 8.46 5.11 0.00 3.98 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 0.00 157 W 8.35 5.25 0.00 3.39 3.32 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 *162 N 8.23 4.63 0.00 2.97 2.89 0.00 0.00 7.20 7.57 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 0.00 163 S 10.09 3.87 0.00 3.97 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 0.00 164 G 8.35 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 0.00 0.00 0.00 165 A 7.88 4.03 1.41 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 0.00 0.00 0.00 166 L 7.91 4.68 0.00 1.76 1.78 1.14 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 167 T 8.36 4.60 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 1.23 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 L 8.76 5.32 0.00 1.90 1.84 1.03 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 188 S 8.74 5.75 0.00 3.74 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 0.00 189 S 8.84 5.34 0.00 4.04 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 0.00 190 V 9.54 5.67 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 0.82 0.00 0.00 1.22 0.00 0.00 191 V 7.84 4.75 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 -0.43 0.00 0.00 0.56 0.00 0.00 192 T 8.54 5.42 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 1.15 0.00 0.00 193 V 7.94 4.52 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 0.21 0.00 0.00 0.74 0.00 0.00 194 P 0.00 4.36 0.00 2.08 1.98 0.00 3.63 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 195 S 8.93 4.05 0.00 3.96 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 0.00 196 S 8.10 4.42 0.00 3.83 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 0.00 197 S 8.30 4.64 0.00 4.03 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 0.00 198 L 7.34 4.20 0.00 1.70 1.75 0.92 0.96 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 0.00 199 G 9.35 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 0.00 200 T 8.40 3.81 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 *203 Q 7.86 4.69 0.00 2.11 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.60 0.00 0.00 0.00 0.00 0.00 2.13 1.81 0.00 *205 T 7.95 4.67 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 1.19 0.00 0.00 206 Y 8.22 4.95 0.00 3.08 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 0.00 207 T 9.69 5.14 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 1.16 0.00 0.00 208 C 8.58 3.62 0.00 1.65 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 0.00 209 N 8.90 5.15 0.00 2.56 2.75 0.00 0.00 6.43 8.29 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 0.00 210 V 8.95 4.29 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 0.66 0.00 0.00 0.75 0.00 0.00 211 N 9.08 5.13 0.00 2.68 2.57 0.00 0.00 6.18 7.43 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 0.00 212 H 9.16 4.73 0.00 3.02 3.07 0.00 5.69 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 213 K 8.53 3.79 0.00 1.77 1.81 0.00 1.71 0.00 0.00 1.78 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.52 1.52 7.81 214 P 0.00 4.31 0.00 1.79 2.06 0.00 3.10 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.99 0.00 215 S 7.65 4.59 0.00 4.01 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 0.00 216 N 8.32 4.13 0.00 2.77 2.86 0.00 0.00 6.68 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 0.00 217 T 7.90 4.72 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 0.00 218 K 8.68 5.03 0.00 1.55 1.63 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.77 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.27 1.35 7.81 219 V 9.05 4.36 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 0.88 0.00 0.00 0.86 0.00 0.00 220 D 8.68 5.19 0.00 2.55 2.48 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 0.00 221 K 8.67 4.43 0.00 1.76 1.52 0.00 1.52 0.00 0.00 1.55 0.00 0.00 2.81 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.30 1.40 7.81 222 R 8.74 4.71 0.00 1.90 1.85 0.00 3.48 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 223 V 8.94 4.29 2.37 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 1.03 0.00 0.00 1.26 0.00 0.00 *226 E 8.55 4.90 0.00 2.08 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 2.34 2.31 0.00 227 L 8.44 4.31 0.00 1.75 1.64 0.96 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.