NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 I 4.3147 7.8827 121.4491 61.1892 38.8317 173.7976 17 V 4.4353 8.5748 125.3513 61.7241 33.0768 174.4197 18 G 3.7585 9.0584 114.3600 46.3032 0.0000 173.2687 19 G 4.3141 7.7911 109.9321 43.9966 0.0000 172.6488 20 Y 4.9664 7.6888 116.4637 55.1339 42.0042 175.0471 21 T 4.0623 8.5490 117.3721 64.1252 68.9414 175.9717 22 C 4.1770 8.6193 125.2057 59.2079 35.3384 175.4978 23 G 4.0134 7.7789 103.4187 44.9540 0.0000 172.8432 24 A 4.3600 8.4734 126.4134 53.5520 18.7670 176.7515 25 N 4.2459 8.8284 119.3436 54.4896 36.2141 175.3942 26 T 4.1800 7.6692 107.3252 62.7533 69.7759 175.1438 27 V 3.9693 7.0563 122.3915 60.2846 31.2678 173.5173 28 P 4.4201 0.0000 0.0000 63.7514 32.2169 178.0455 29 Y 4.9729 6.6191 116.0734 56.5923 38.8917 174.7890 30 Q 4.7067 7.3054 122.9065 56.3089 29.6149 175.3522 31 V 4.8540 8.7463 118.2980 59.6381 36.2956 174.1116 32 S 4.8304 8.7428 116.6343 56.5801 64.9798 172.6179 33 L 4.7226 8.3830 127.3481 53.2372 43.5909 175.0830 34 N 5.5978 8.8679 121.5231 49.8585 42.3683 174.6320 *37 S 4.3549 8.3058 119.6114 58.2732 63.9479 174.4120 38 G 3.9825 9.6299 107.3340 45.6868 0.0000 171.9229 39 Y 4.4477 6.5002 115.1329 56.3009 39.8351 172.4177 40 H 4.5238 8.8925 121.8138 56.0444 30.3040 174.6749 41 F 5.0202 7.6157 120.7384 57.3561 40.0212 174.5428 42 C 4.8404 6.9620 114.6096 55.9621 44.7152 174.1379 43 G 4.1047 8.7065 109.9306 46.0706 0.0000 172.5419 44 G 4.4792 7.8195 105.2488 46.6270 0.0000 172.5161 45 S 5.4271 8.5211 115.6817 56.4652 66.9795 173.5752 46 L 4.6887 9.0144 126.5125 54.2265 42.6560 176.8441 47 I 4.6566 8.3057 117.9998 60.4824 38.5397 174.3693 48 N 4.6910 7.4792 117.3664 52.6796 39.3942 174.6937 49 S 4.2682 8.6366 111.4604 60.5958 63.5092 174.8032 50 Q 4.5268 8.8652 120.7180 55.2083 29.9615 174.0945 51 W 5.6244 8.2324 116.0301 55.6515 33.3295 174.3076 52 V 5.0326 9.1764 124.1143 61.0294 34.4019 174.3354 53 V 4.8590 8.8218 126.1838 60.4109 33.5079 174.6577 54 S 5.0811 9.1270 118.6415 57.5442 66.0578 171.6715 55 A 4.7662 8.5030 119.7908 50.5053 20.6268 178.3694 56 A 3.7832 8.3124 124.9681 55.3359 18.4458 178.8738 57 H 4.5636 8.3525 108.6842 56.7717 28.5003 175.3110 58 C 4.6741 8.0551 117.4550 57.3987 40.7703 173.4979 59 Y 4.0522 7.5904 122.0036 57.8728 38.6131 175.2394 60 K 3.7250 7.2065 124.1914 56.1407 35.0526 174.3045 61 S 4.2862 8.0139 114.3650 57.3749 65.2450 173.3015 62 G 3.6546 8.2979 105.6704 46.6897 0.0000 173.8897 63 I 4.4541 7.2455 118.6849 59.4272 40.2835 176.0940 64 Q 4.7599 8.6933 128.6367 54.2700 31.1038 174.3547 65 V 4.1325 8.7167 127.8225 62.4339 33.1211 174.7793 65A R 5.0567 8.9041 128.0239 54.7712 31.8192 175.4310 66 L 4.6536 9.1289 125.1931 52.7917 44.3802 177.5303 *69 G 4.0556 8.1695 106.7627 45.6634 0.0000 172.6957 70 E 4.6910 8.3167 117.8679 54.5923 31.0462 174.0020 71 D 4.8142 7.7720 117.3431 55.4670 44.0368 174.2225 72 N 4.9676 9.0890 117.6898 53.2116 39.3901 176.3177 73 I 3.6156 8.4876 120.0436 62.4378 37.9919 176.3611 74 N 4.6693 8.4361 117.7270 53.2577 39.1932 174.9600 75 V 4.3243 7.2018 117.8286 60.4973 33.9322 174.9604 76 V 3.9713 8.4710 127.0214 63.0108 31.3779 175.1880 77 E 4.4577 9.4766 126.2574 55.6962 30.7072 177.3145 78 G 3.8743 7.7675 105.2202 47.1125 0.0000 174.0004 79 N 4.5659 8.7898 116.7728 52.6902 36.6544 174.2718 80 E 4.4855 7.8192 117.8714 56.5793 30.4367 176.2820 81 Q 4.5090 9.1158 122.4036 54.1135 32.3823 174.3387 82 F 5.5566 8.8624 122.9459 56.2187 40.4411 175.2621 83 I 4.6473 8.8108 125.3363 59.0493 40.7582 175.6286 84 S 4.6180 8.7746 122.6180 58.5318 64.0911 173.4543 85 A 4.3215 8.6089 126.8043 52.3293 17.9538 177.5622 86 S 4.4027 9.0775 119.4322 60.5875 63.4675 174.7298 87 K 4.7151 7.6891 117.2606 55.6301 35.7471 175.0890 88 S 5.2237 8.8658 119.0798 57.2849 65.1560 174.1852 89 I 4.5082 8.8715 125.5619 59.0918 38.3400 174.5502 90 V 4.0242 8.1760 126.3509 62.3882 32.5594 175.0510 91 H 3.6934 8.7505 127.1882 55.7352 30.1899 174.1703 92 P 4.2317 0.0000 0.0000 65.7025 31.2552 177.1115 93 S 4.6592 7.8318 111.4206 58.2776 62.9451 173.2980 94 Y 4.3120 7.8910 122.8417 57.6724 38.9172 174.7553 95 N 4.4607 8.2450 125.9379 51.4823 40.0063 174.9733 96 S 3.9605 7.9358 120.0398 59.5185 63.5574 174.5022 97 N 4.5017 8.6503 118.9340 54.5077 39.1217 176.0019 98 T 4.0113 7.7517 106.0075 60.7309 69.9291 174.7840 99 L 3.7728 7.7596 120.6623 55.5485 39.9801 174.0459 100 N 4.5326 7.7482 116.5143 54.5167 39.6100 174.3685 101 N 4.8233 8.6719 118.8034 53.8527 35.9972 175.6994 102 D 4.6521 7.9853 117.7617 53.0921 40.0077 174.5761 103 I 4.8860 7.4018 121.6556 59.4371 42.1595 172.6088 104 M 5.4301 9.0782 124.0372 54.1471 35.0502 173.2814 105 L 5.2508 9.0500 121.0011 53.4989 44.3112 175.4002 106 I 4.9629 9.2715 124.1598 59.4250 40.2709 174.4176 107 K 3.7891 8.5624 128.2403 54.8289 33.6211 175.3574 108 L 4.6605 8.1990 127.6434 53.5908 42.2116 177.0524 109 K 4.0341 9.0168 124.7086 59.1837 32.6027 177.0023 110 S 4.6416 7.7325 112.8342 56.0594 66.9639 173.2670 111 A 4.4282 8.3435 123.8102 52.0155 18.7667 177.5031 112 A 4.3373 8.7104 123.1270 51.9169 19.7382 177.2768 113 S 4.5864 9.2273 116.5648 57.3805 63.7098 174.5186 114 L 4.7552 8.4690 125.2828 54.0643 43.4264 176.5338 115 N 4.5732 8.3275 118.9704 53.1283 40.1532 175.0007 116 S 4.3706 8.8107 110.0608 60.3574 63.8331 175.2348 117 R 4.2440 8.2830 118.3811 56.4001 30.6571 176.4935 118 V 4.4158 7.6556 117.2270 61.1591 33.3932 173.1693 119 A 5.2048 8.6066 128.7602 50.1140 22.8343 175.0417 120 S 4.9084 8.7567 114.5520 57.9657 64.5741 173.2909 121 I 4.3568 8.0364 122.0395 59.6733 39.0327 175.4568 122 S 4.5102 8.3280 123.2333 58.0706 64.3217 173.6662 123 L 4.2929 8.3050 122.7588 53.3429 42.4559 175.4200 124 P 4.4874 0.0000 0.0000 63.0839 32.0634 176.2677 125 T 4.2108 8.2152 108.2595 62.0786 69.9458 174.3093 *127 S 4.4070 7.5469 115.2174 58.3652 64.0651 173.7156 128 C 4.5266 8.3443 117.5278 56.0420 41.1013 173.5685 129 A 4.4031 7.9419 124.5778 51.4873 19.5113 177.7457 130 S 4.2508 8.1008 116.3149 57.5714 64.2556 173.3529 *132 A 4.0912 8.1740 123.6826 53.5826 19.1150 177.4379 133 G 3.9491 9.0588 110.9057 45.1522 0.0000 174.1108 134 T 3.9390 7.4480 117.5579 63.7159 69.4197 173.2751 135 Q 4.4946 8.6091 127.9807 55.8849 30.0475 175.3186 136 C 5.2807 9.1054 122.4831 55.1482 46.7486 172.2408 137 L 5.2182 9.0704 122.3584 53.5313 44.1028 175.0347 138 I 5.2521 9.0423 127.0593 58.8174 40.1444 174.7801 139 S 4.8910 8.4087 119.1315 56.6396 66.4896 173.2006 140 G 3.6757 7.6096 107.6026 46.1895 0.0000 172.9447 141 W 4.7485 8.8623 117.8607 56.4332 29.5452 176.8049 142 G 4.2253 7.9685 108.1380 43.3059 0.0000 173.4952 143 N 3.8009 8.4122 117.4825 54.4906 38.8698 174.4541 144 T 5.0826 7.9781 112.9629 60.6142 69.8501 174.4110 145 K 4.6209 8.2004 122.5665 54.7463 34.5850 176.3402 146 S 4.2073 8.7568 117.8798 60.8182 63.5667 174.8412 147 S 4.3591 7.6614 120.2592 59.5718 61.7389 172.5269 148 G 3.7860 8.6281 111.3793 43.9259 0.0000 170.4603 149 T 4.6802 8.1084 107.8552 59.8479 71.5506 174.0030 150 S 4.3599 8.2752 119.3051 57.0658 65.1699 171.8497 151 Y 4.6506 8.5601 125.8138 56.5770 38.5024 174.3511 152 P 4.6444 0.0000 0.0000 62.5854 32.8110 175.9339 153 D 4.6112 8.7633 118.5615 56.2900 41.4251 177.0837 154 V 5.7543 7.3747 109.6192 58.3033 34.7415 175.7531 155 L 3.1103 8.3575 123.6384 55.1730 42.9313 176.0620 156 K 4.8624 8.1704 124.7629 54.8050 35.5897 174.4728 157 C 5.2954 8.4335 119.1609 55.1660 43.1940 172.9786 158 L 5.0460 8.5053 122.5029 53.6926 45.6108 174.6130 159 K 5.1030 8.9481 125.1629 55.2902 33.6751 175.8535 160 A 4.9174 9.2432 125.9182 49.7637 23.1065 173.6836 161 P 4.9782 0.0000 0.0000 62.0814 33.7917 175.3424 162 I 4.3847 8.3776 122.8856 61.4531 37.9447 175.8617 163 L 4.7369 8.7883 127.7393 53.6195 43.1304 177.1699 164 S 4.3694 8.4795 115.2860 58.1021 63.9424 175.1428 165 D 4.4795 8.7086 121.9287 57.4832 40.4582 179.3194 166 S 4.1480 8.0162 114.6108 61.6252 62.9539 176.5707 167 S 4.3350 7.8486 117.3212 60.7808 62.8370 175.6904 168 C 4.4673 8.1336 121.3287 59.7650 41.7685 175.6542 169 K 3.9765 8.4221 120.4148 59.7413 31.4397 179.5447 170 S 4.2689 8.4812 114.3913 60.9564 62.7194 175.9319 171 A 4.1119 7.6455 122.7932 53.1384 20.1921 177.1277 172 Y 4.8593 7.4271 113.5239 55.4813 38.4699 173.1057 173 P 4.6605 0.0000 0.0000 63.6243 32.1552 177.8796 174 G 4.0416 9.0999 111.0137 45.5681 0.0000 173.6595 175 Q 4.4173 8.1252 116.4136 55.6893 29.6069 175.3311 176 I 4.3754 7.7755 120.0500 60.0306 37.8343 175.6906 177 T 4.4613 8.3004 116.4712 60.1168 70.4737 174.7088 178 S 4.4202 8.5135 114.1632 59.8323 63.3182 173.9316 179 N 5.1383 7.9253 118.2630 53.4201 39.4069 174.2000 180 M 5.5096 8.0770 116.5223 54.3193 36.5562 174.0484 181 F 5.0456 8.6299 114.8817 56.0904 42.0396 172.3141 182 C 5.4429 9.0286 116.5283 55.6739 41.1648 172.7037 183 A 5.0403 9.5566 122.8925 50.2565 22.2965 175.4582 184 G 3.9764 6.8318 108.3975 44.9696 0.0000 172.8820 184A Y 4.5582 8.1503 120.4412 56.1746 41.5980 176.2112 185 L 4.0811 8.6952 125.2774 57.4078 42.0288 178.5635 186 E 4.0102 8.2276 114.6893 56.8747 30.0303 177.2598 187 G 3.7666 7.7417 107.5157 45.1695 0.0000 171.9625 188 G 4.2443 8.8262 106.9978 44.6301 0.0000 174.2343 188A K 4.8628 7.2037 117.1579 54.5513 35.1244 175.3318 189 D 4.6379 8.5599 122.6116 53.6545 45.6555 175.2171 190 S 4.8748 8.3206 117.0124 58.6919 64.7656 171.6974 191 C 4.7223 9.0750 118.5009 55.6598 46.5910 172.2453 192 Q 4.3202 8.6148 119.2973 57.9998 28.3535 177.9631 193 G 4.2279 9.2722 111.3188 45.7279 0.0000 173.9594 194 D 4.6494 8.2640 118.7486 55.7086 41.5198 176.7436 195 S 4.4813 8.1001 115.7646 60.5768 63.3789 175.3447 196 G 3.9922 8.6843 112.5374 46.3613 0.0000 173.7798 197 G 4.3726 7.8026 107.2502 44.8910 0.0000 171.5429 198 P 5.0695 0.0000 0.0000 62.5266 33.3974 175.6029 199 V 4.5810 8.5532 120.9381 61.3997 34.3506 174.1425 200 V 4.8969 8.6771 128.5222 61.3007 34.2044 173.7414 201 C 5.0551 8.8922 124.1143 56.0427 44.3006 174.7389 202 S 3.6086 9.8041 120.2172 59.7277 60.1194 173.0040 203 G 3.9330 8.3272 104.9360 45.5646 0.0000 173.5378 204 K 4.6671 7.8220 118.0214 53.0007 35.1303 175.4683 *209 L 4.2726 8.2893 123.0585 55.4299 42.1223 175.7900 210 Q 4.5387 8.7453 125.7982 56.4345 31.0055 175.8597 211 G 5.2944 8.0357 104.6058 45.6418 0.0000 171.4339 212 I 5.1758 8.2068 119.9334 58.8209 40.9885 175.3497 213 V 3.8740 8.9791 127.7029 64.2917 31.8518 174.4308 214 S 4.7155 8.4383 120.9359 58.7375 63.9489 173.5022 215 W 5.0263 7.3662 113.7634 55.6554 32.0859 172.2019 216 G 3.7608 8.2509 106.0772 46.3466 0.0000 173.8883 217 S 4.6484 8.6276 116.8625 57.2444 62.3422 173.9371 *219 G 4.4320 7.9140 116.4152 45.4190 0.0000 170.7894 220 C 4.9675 8.1853 117.0224 56.3995 44.1710 173.8268 221 A 4.1451 9.0196 126.6920 53.1729 16.8128 176.8806 221A Q 4.5732 7.3265 117.0871 55.9685 30.0033 175.9590 222 K 4.2114 8.4462 121.7929 58.0230 32.5784 176.5810 223 N 4.2320 9.1296 121.8008 53.8866 37.2193 175.1541 224 K 4.2896 7.4534 117.7624 53.6120 31.7410 173.5196 225 P 4.6129 0.0000 0.0000 62.1966 33.0603 177.0450 226 G 3.7291 8.4202 105.9132 45.7869 0.0000 172.8595 227 V 4.4597 7.5282 120.9057 60.6649 34.5248 174.0037 228 Y 4.7777 8.2612 124.2184 55.8509 41.8023 175.1213 229 T 4.3614 8.5097 120.7516 63.8227 69.7726 173.9484 230 K 4.9847 9.2328 128.2246 55.6243 31.7390 177.3068 231 V 3.9237 8.9023 127.4091 65.7278 31.3749 174.9828 232 C 4.3132 8.3882 112.9384 58.3634 41.4182 174.9656 233 N 4.2677 7.8911 117.3956 54.6435 38.4382 175.1183 234 Y 4.7904 8.0176 117.5544 57.5793 39.2095 177.7176 235 V 3.6756 7.9765 121.8668 66.3035 31.6173 178.2011 236 S 4.1344 8.0814 114.5100 61.1116 62.6321 176.2975 237 W 4.1534 8.2616 130.7060 60.4510 30.4863 177.7786 238 I 3.0469 8.1700 120.0728 64.2796 36.5908 178.5144 239 K 3.7410 7.9967 119.1208 59.5995 31.7317 179.5122 240 Q 3.9297 8.0968 118.3120 59.0116 28.4152 178.7592 241 T 3.6282 7.3780 116.3084 66.4323 68.7203 176.5531 242 I 2.8131 7.2539 121.6219 63.9808 36.8082 178.4458 243 A 4.0573 7.6459 120.2737 54.2299 18.2458 178.7557 244 S 4.5226 7.5035 110.7750 58.7247 63.7687 174.0911 245 N 4.6861 7.8835 125.1822 53.6227 38.9097 174.0390 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 16 I 7.88 4.31 1.79 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 1.33 0.89 0.91 0.00 0.00 17 V 8.57 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 1.05 0.00 0.00 0.95 0.00 0.00 18 G 9.06 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 0.00 0.00 0.00 19 G 7.79 4.31 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 0.00 20 Y 7.69 4.97 0.00 2.99 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 21 T 8.55 4.06 4.29 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 1.22 0.00 0.00 22 C 8.62 4.18 0.00 2.76 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 23 G 7.78 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 24 A 8.47 4.36 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 25 N 8.83 4.25 0.00 2.85 2.90 0.00 0.00 7.27 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 26 T 7.67 4.18 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 1.24 0.00 0.00 27 V 7.06 3.97 1.77 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 0.45 0.00 0.00 0.75 0.00 0.00 28 P 0.00 4.42 0.00 2.36 2.36 0.00 3.52 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 2.13 1.96 0.00 29 Y 6.62 4.97 0.00 3.22 3.45 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 30 Q 7.31 4.71 0.00 1.87 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.56 0.00 0.00 0.00 0.00 0.00 2.04 2.53 0.00 31 V 8.75 4.85 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 0.81 0.00 0.00 0.97 0.00 0.00 32 S 8.74 4.83 0.00 3.04 3.30 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 33 L 8.38 4.72 0.00 0.29 1.01 0.82 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 34 N 8.87 5.60 0.00 2.35 2.38 0.00 0.00 6.60 8.15 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 *37 S 8.31 4.35 0.00 3.86 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 38 G 9.63 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 39 Y 6.50 4.45 0.00 3.03 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 H 8.89 4.52 0.00 2.84 3.17 0.00 5.86 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 F 7.62 5.02 0.00 3.01 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 C 6.96 4.84 0.00 2.48 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 43 G 8.71 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 0.00 0.00 0.00 44 G 7.82 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 45 S 8.52 5.43 0.00 3.80 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 46 L 9.01 4.69 0.00 1.82 1.65 1.03 0.76 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 47 I 8.31 4.66 1.88 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 1.42 1.12 0.93 0.00 0.00 48 N 7.48 4.69 0.00 2.98 3.01 0.00 0.00 6.17 7.68 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 49 S 8.64 4.27 0.00 4.19 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 50 Q 8.87 4.53 0.00 2.03 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.95 0.00 0.00 0.00 0.00 0.00 1.86 2.12 0.00 51 W 8.23 5.62 0.00 3.33 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 52 V 9.18 5.03 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.98 0.00 0.00 53 V 8.82 4.86 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.99 0.00 0.00 54 S 9.13 5.08 0.00 3.86 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 55 A 8.50 4.77 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 56 A 8.31 3.78 0.26 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 57 H 8.35 4.56 0.00 3.34 3.54 0.00 5.55 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 C 8.06 4.67 0.00 3.18 3.34 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 59 Y 7.59 4.05 0.00 2.98 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 K 7.21 3.72 0.00 1.53 1.40 0.00 0.89 0.00 0.00 1.34 0.00 0.00 2.51 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.66 0.99 7.81 61 S 8.01 4.29 0.00 3.93 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 62 G 8.30 3.65 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 0.00 0.00 0.00 63 I 7.25 4.45 1.86 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 1.49 0.79 0.92 0.00 0.00 64 Q 8.69 4.76 0.00 2.01 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.97 0.00 0.00 0.00 0.00 0.00 2.06 2.20 0.00 65 V 8.72 4.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.89 0.00 0.00 65A R 8.90 5.06 0.00 1.59 1.69 0.00 2.64 0.00 0.00 2.53 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 1.11 0.00 66 L 9.13 4.65 0.00 1.66 1.66 1.01 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 *69 G 8.17 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 0.00 0.00 0.00 70 E 8.32 4.69 0.00 2.08 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 2.49 2.13 0.00 71 D 7.77 4.81 0.00 2.77 2.71 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 72 N 9.09 4.97 0.00 2.83 2.82 0.00 0.00 7.21 7.42 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 73 I 8.49 3.62 1.42 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.56 -0.39 0.00 0.00 74 N 8.44 4.67 0.00 2.86 2.90 0.00 0.00 6.66 8.78 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 75 V 7.20 4.32 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 0.95 0.00 0.00 76 V 8.47 3.97 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 0.81 0.00 0.00 0.95 0.00 0.00 77 E 9.48 4.46 0.00 2.00 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 0.00 2.25 2.42 0.00 78 G 7.77 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 79 N 8.79 4.57 0.00 2.95 3.07 0.00 0.00 7.00 7.67 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 80 E 7.82 4.49 0.00 1.53 1.54 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 2.61 2.47 0.00 81 Q 9.12 4.51 0.00 2.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.78 0.00 0.00 0.00 0.00 0.00 2.23 2.28 0.00 82 F 8.86 5.56 0.00 2.74 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 83 I 8.81 4.65 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.89 0.94 0.00 0.00 84 S 8.77 4.62 0.00 3.75 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 A 8.61 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 86 S 9.08 4.40 0.00 3.84 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.69 4.72 0.00 1.87 1.85 0.00 1.60 0.00 0.00 1.92 0.00 0.00 2.84 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.31 1.39 7.81 88 S 8.87 5.22 0.00 4.14 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 89 I 8.87 4.51 2.06 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.99 1.11 0.00 0.00 90 V 8.18 4.02 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 0.65 0.00 0.00 0.73 0.00 0.00 91 H 8.75 3.69 0.00 2.87 3.11 0.00 5.66 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 P 0.00 4.23 0.00 1.99 2.11 0.00 2.92 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 2.04 2.18 0.00 93 S 7.83 4.66 0.00 3.89 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 94 Y 7.89 4.31 0.00 2.91 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 N 8.24 4.46 0.00 2.60 2.46 0.00 0.00 6.48 7.46 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 96 S 7.94 3.96 0.00 3.93 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 97 N 8.65 4.50 0.00 2.65 2.78 0.00 0.00 6.78 7.50 0.00 0.00 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 T 7.75 4.01 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 1.10 0.00 0.00 99 L 7.76 3.77 0.00 1.50 1.86 0.60 1.27 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 0.00 100 N 7.75 4.53 0.00 2.78 2.65 0.00 0.00 7.26 7.70 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 0.00 101 N 8.67 4.82 0.00 2.97 2.71 0.00 0.00 7.22 8.26 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 0.00 102 D 7.99 4.65 0.00 3.05 2.66 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 0.00 103 I 7.40 4.89 1.49 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.20 0.41 0.00 0.00 104 M 9.08 5.43 0.00 2.12 2.21 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.45 0.00 105 L 9.05 5.25 0.00 1.77 1.84 0.17 0.54 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 0.00 106 I 9.27 4.96 1.93 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 1.19 0.95 0.90 0.00 0.00 107 K 8.56 3.79 0.00 0.79 1.17 0.00 1.22 0.00 0.00 1.32 0.00 0.00 2.50 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.59 0.21 7.81 108 L 8.20 4.66 0.00 1.47 1.55 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 109 K 9.02 4.03 0.00 1.74 1.80 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.39 7.81 110 S 7.73 4.64 0.00 3.80 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 0.00 111 A 8.34 4.43 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 0.00 112 A 8.71 4.34 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 0.00 113 S 9.23 4.59 0.00 3.71 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 0.00 114 L 8.47 4.76 0.00 1.65 1.61 0.96 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 115 N 8.33 4.57 0.00 2.77 2.70 0.00 0.00 6.95 7.27 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 0.00 116 S 8.81 4.37 0.00 4.01 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 0.00 117 R 8.28 4.24 0.00 1.97 2.02 0.00 3.16 0.00 0.00 3.16 7.32 0.00 0.00 0.00 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1.20 0.00 0.00 *127 S 7.55 4.41 0.00 4.00 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 0.00 128 C 8.34 4.53 0.00 2.94 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 0.00 129 A 7.94 4.40 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 0.00 130 S 8.10 4.25 0.00 3.85 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 *132 A 8.17 4.09 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 G 9.06 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 0.00 134 T 7.45 3.94 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 1.14 0.00 0.00 135 Q 8.61 4.49 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.89 0.00 0.00 0.00 0.00 0.00 2.34 2.47 0.00 136 C 9.11 5.28 0.00 2.82 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 0.00 137 L 9.07 5.22 0.00 1.74 1.55 0.99 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 138 I 9.04 5.25 1.86 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 1.56 0.96 0.00 0.00 139 S 8.41 4.89 0.00 3.51 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 0.00 140 G 7.61 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 0.00 141 W 8.86 4.75 0.00 3.11 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 0.00 142 G 7.97 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 0.00 143 N 8.41 3.80 0.00 2.46 2.70 0.00 0.00 7.38 8.30 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 0.00 144 T 7.98 5.08 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 1.26 0.00 0.00 145 K 8.20 4.62 0.00 1.80 1.70 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.34 1.29 7.81 146 S 8.76 4.21 0.00 4.01 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 0.00 147 S 7.66 4.36 0.00 3.88 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 0.00 148 G 8.63 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 0.00 0.00 0.00 149 T 8.11 4.68 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 1.30 0.00 0.00 150 S 8.28 4.36 0.00 3.81 3.65 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 0.00 151 Y 8.56 4.65 0.00 3.00 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 0.00 152 P 0.00 4.64 0.00 2.45 2.09 0.00 4.11 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 2.21 2.05 0.00 153 D 8.76 4.61 0.00 2.80 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 0.00 154 V 7.37 5.75 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.97 0.00 0.00 155 L 8.36 3.11 0.00 1.43 1.29 -0.53 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 156 K 8.17 4.86 0.00 1.67 1.50 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.46 7.81 157 C 8.43 5.30 0.00 1.75 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 0.00 0.00 0.00 158 L 8.51 5.05 0.00 1.69 1.44 1.00 0.72 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 0.00 159 K 8.95 5.10 0.00 1.83 1.82 0.00 1.88 0.00 0.00 1.77 0.00 0.00 2.80 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.66 7.81 160 A 9.24 4.92 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 0.00 161 P 0.00 4.98 0.00 2.03 2.26 0.00 3.15 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.73 0.00 162 I 8.38 4.38 1.75 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.42 0.76 0.00 0.00 163 L 8.79 4.74 0.00 1.66 1.61 0.92 0.92 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 0.00 164 S 8.48 4.37 0.00 4.01 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 0.00 165 D 8.71 4.48 0.00 2.73 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 0.00 166 S 8.02 4.15 0.00 4.06 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 0.00 167 S 7.85 4.33 0.00 3.91 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 0.00 168 C 8.13 4.47 0.00 3.20 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 0.00 169 K 8.42 3.98 0.00 1.98 1.90 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.56 7.81 170 S 8.48 4.27 0.00 3.91 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 0.00 171 A 7.65 4.11 1.07 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 0.00 172 Y 7.43 4.86 0.00 3.12 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 0.00 173 P 0.00 4.66 0.00 2.21 2.11 0.00 3.47 0.00 0.00 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.95 0.00 174 G 9.10 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 0.00 0.00 0.00 0.00 175 Q 8.13 4.42 0.00 2.37 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 7.01 0.00 0.00 0.00 0.00 0.00 2.28 2.48 0.00 176 I 7.78 4.38 1.98 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.95 1.00 0.00 0.00 177 T 8.30 4.46 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 1.24 0.00 0.00 178 S 8.51 4.42 0.00 4.01 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 0.00 179 N 7.93 5.14 0.00 2.95 3.09 0.00 0.00 6.67 7.92 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 0.00 180 M 8.08 5.51 0.00 1.86 1.99 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.68 0.00 181 F 8.63 5.05 0.00 3.04 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 0.00 182 C 9.03 5.44 0.00 2.98 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 0.00 183 A 9.56 5.04 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 0.00 184 G 6.83 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 184A Y 8.15 4.56 0.00 3.07 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 0.00 185 L 8.70 4.08 0.00 1.74 1.73 0.92 0.88 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 0.00 186 E 8.23 4.01 0.00 2.10 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 0.00 2.32 2.27 0.00 187 G 7.74 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 0.00 0.00 0.00 188 G 8.83 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 188A K 7.20 4.86 0.00 1.58 1.68 0.00 0.83 0.00 0.00 1.41 0.00 0.00 2.47 0.00 0.00 2.51 0.00 0.00 0.00 0.00 1.17 1.05 7.81 189 D 8.56 4.64 0.00 2.85 2.51 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 0.00 190 S 8.32 4.87 0.00 4.04 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 0.00 191 C 9.07 4.72 0.00 2.97 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 0.00 192 Q 8.61 4.32 0.00 2.31 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 5.37 0.00 0.00 0.00 0.00 0.00 2.55 2.54 0.00 193 G 9.27 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 0.00 194 D 8.26 4.65 0.00 3.00 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 0.00 195 S 8.10 4.48 0.00 3.98 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 0.00 196 G 8.68 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 0.00 0.00 0.00 197 G 7.80 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 0.00 0.00 0.00 0.00 198 P 0.00 5.07 0.00 2.27 2.32 0.00 3.71 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.24 0.00 199 V 8.55 4.58 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 0.84 0.00 0.00 0.63 0.00 0.00 200 V 8.68 4.90 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 0.70 0.00 0.00 0.64 0.00 0.00 201 C 8.89 5.06 0.00 2.79 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 0.00 202 S 9.80 3.61 0.00 3.90 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 0.00 203 G 8.33 3.93 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 0.00 0.00 0.00 204 K 7.82 4.67 0.00 1.79 1.64 0.00 1.85 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.40 7.81 *209 L 8.29 4.27 0.00 1.50 1.63 0.94 0.73 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 0.00 210 Q 8.75 4.54 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.40 0.00 0.00 0.00 0.00 0.00 2.23 2.31 0.00 211 G 8.04 5.29 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 0.00 212 I 8.21 5.18 1.92 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.91 0.95 0.00 0.00 213 V 8.98 3.87 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 1.17 0.00 0.00 214 S 8.44 4.72 0.00 3.88 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 0.00 215 W 7.37 5.03 0.00 3.29 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 0.00 216 G 8.25 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 0.00 0.00 0.00 217 S 8.63 4.65 0.00 4.14 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 *219 G 7.91 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 220 C 8.19 4.97 0.00 2.95 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 0.00 221 A 9.02 4.15 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 221A Q 7.33 4.57 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 7.26 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 222 K 8.45 4.21 0.00 1.72 1.72 0.00 1.92 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.64 7.81 223 N 9.13 4.23 0.00 2.84 2.84 0.00 0.00 6.82 7.33 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 0.00 224 K 7.45 4.29 0.00 1.76 1.82 0.00 1.71 0.00 0.00 1.43 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.49 7.81 225 P 0.00 4.61 0.00 2.14 2.12 0.00 3.72 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.00 0.00 226 G 8.42 3.73 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 0.00 0.00 0.00 227 V 7.53 4.46 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 0.52 0.00 0.00 -0.53 0.00 0.00 228 Y 8.26 4.78 0.00 1.43 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 229 T 8.51 4.36 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 1.19 0.00 0.00 230 K 9.23 4.98 0.00 2.18 1.98 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.56 1.62 7.81 231 V 8.90 3.92 2.41 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 1.19 0.00 0.00 1.07 0.00 0.00 232 C 8.39 4.31 0.00 3.17 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 0.00 233 N 7.89 4.27 0.00 2.25 2.50 0.00 0.00 6.98 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 234 Y 8.02 4.79 0.00 3.10 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 0.00 235 V 7.98 3.68 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 1.16 0.00 0.00 1.09 0.00 0.00 236 S 8.08 4.13 0.00 3.97 3.93 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 0.00 237 W 8.26 4.15 0.00 3.49 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 238 I 8.17 3.05 1.98 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.81 0.70 0.00 0.00 239 K 8.00 3.74 0.00 1.85 1.77 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.60 7.81 240 Q 8.10 3.93 0.00 2.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.46 0.00 241 T 7.38 3.63 3.36 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 0.89 0.00 0.00 242 I 7.25 2.81 1.42 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.15 0.43 0.00 0.00 243 A 7.65 4.06 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 244 S 7.50 4.52 0.00 3.98 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 0.00 245 N 7.88 4.69 0.00 3.12 3.03 0.00 0.00 6.82 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 * Residues marked with a * may have inaccurate shift predictions.