NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.5203 8.1927 115.4202 57.6682 64.8170 174.1957 3 L 3.3382 8.4920 121.4726 57.3222 41.6194 177.0694 4 R 3.4726 7.8787 118.5094 59.3736 30.3577 177.9034 5 S 4.0071 7.7847 113.5370 61.6133 62.8929 176.1316 6 D 4.2947 8.3407 123.0286 56.7104 40.5473 178.4449 7 L 3.8829 8.3105 121.1087 58.2164 42.0658 178.9595 8 I 3.6202 7.9134 119.9881 64.5577 36.9884 178.1815 9 N 4.3081 8.3519 117.0619 56.1906 38.3720 177.3316 10 A 3.9957 8.1321 122.1255 55.2366 18.5254 179.6835 11 L 3.9676 8.0400 117.5072 58.0763 41.4647 179.1303 12 Y 3.9780 8.0189 118.4523 60.7586 38.9573 177.3809 13 D 4.5358 8.8080 121.7913 58.0673 41.0467 178.3717 14 E 3.9987 8.7238 119.1248 61.5334 29.4642 180.9606 15 N 4.5304 8.1769 116.5402 56.2996 39.0215 176.8832 16 Q 4.1713 8.1254 121.8284 58.7354 28.9472 177.7670 17 K 4.6034 7.4099 121.3471 54.6745 32.1965 178.0682 *18 Y 4.9411 7.5486 115.7348 56.9145 40.5654 176.7823 19 D 4.7825 8.3361 120.8361 52.9256 44.8564 175.3994 20 V 3.9545 8.2163 124.2713 62.6647 32.2194 175.4241 21 C 4.3452 9.0328 123.9751 59.1180 29.3188 173.8311 22 G 3.9085 7.1437 104.6420 45.7755 0.0000 171.0056 23 I 4.4463 7.7935 112.7263 59.2374 39.3976 174.4554 24 I 5.0490 8.0679 121.3704 59.2548 40.8349 175.0746 25 S 4.7168 8.7443 121.1222 56.7239 64.5649 175.1333 26 A 4.0362 8.6413 126.1062 55.2400 18.2218 178.8527 27 E 4.3877 8.2420 110.5381 55.4921 29.8332 182.4110 28 G 3.9633 8.5693 109.3655 47.1289 0.0000 174.7200 29 K 4.4142 8.0094 123.9461 54.5729 33.3001 180.3707 30 I 4.9834 8.7873 125.4181 59.0514 40.1815 174.1181 31 Y 5.0116 9.1626 123.9863 55.4900 40.3077 174.0515 32 P 4.7472 0.0000 0.0000 62.5035 32.4239 176.0270 33 L 4.3434 8.3987 121.1920 54.0161 42.8162 176.7468 34 G 4.0533 8.1211 110.1184 43.9850 0.0000 173.7980 35 S 4.2555 8.4675 115.1052 60.3647 63.7898 175.2725 36 D 4.3411 8.1778 123.5061 54.2089 39.9659 182.8872 37 T 3.8803 8.7031 121.5411 64.3085 67.8791 172.7892 38 K 4.1906 8.0809 120.0143 59.7511 32.0999 178.9458 39 V 3.3721 8.3587 119.0461 65.9923 31.5769 178.0110 40 L 3.2653 7.5497 118.1615 57.5423 41.3718 179.3747 41 S 4.2694 8.2675 116.7468 61.2801 62.8392 176.9441 42 T 3.8154 7.2569 117.6851 66.7355 68.2380 176.6733 43 I 3.5287 7.4388 121.5064 64.4904 36.9420 178.6294 44 F 4.3425 8.0447 121.0116 60.6462 38.3958 178.4637 45 E 4.1793 8.2491 118.4530 61.1569 29.3976 183.2613 46 L 4.3039 7.8229 119.2338 57.5654 41.7334 179.1338 47 F 4.3807 8.2824 119.8992 61.3322 39.6252 177.0545 48 S 4.2916 8.2276 114.9540 61.0269 62.6835 176.2532 49 R 3.8115 7.8515 121.1739 59.2503 29.9027 177.0368 50 P 4.2488 0.0000 0.0000 65.8148 31.2608 178.4874 51 I 3.5787 7.4770 118.9984 64.2326 37.0768 178.0728 52 I 3.5282 7.5125 120.5311 64.4369 36.8675 177.9741 53 N 4.3019 8.1007 120.1518 57.1117 38.7690 177.6559 54 K 3.9697 8.1246 124.9882 59.9976 31.8844 180.9640 55 I 3.9315 7.7237 121.1809 64.0016 37.0009 178.4663 56 A 4.0271 8.3347 124.0607 55.9583 18.2969 180.0082 57 E 3.9598 8.2954 116.8204 61.1768 29.4712 180.9979 58 K 4.1093 7.9296 119.5110 59.7536 32.2832 177.7137 59 H 4.8242 7.8933 113.0052 55.4507 28.7152 175.8914 60 G 3.8271 7.8108 107.9713 46.3128 0.0000 173.2584 61 Y 4.5427 7.9621 116.5283 56.3784 39.5525 175.5521 62 I 4.2270 8.4227 124.2572 60.4897 39.1671 175.1318 63 V 5.0715 8.2728 117.9100 59.7168 34.5975 174.9441 64 E 4.8452 9.3943 123.7796 54.7819 33.3024 174.9626 65 E 4.9469 8.7056 122.8046 53.4825 31.9014 175.4806 66 P 4.3027 0.0000 0.0000 63.3728 31.7248 176.2100 *68 Q 4.2440 8.5092 115.0941 55.6539 30.1942 171.9088 69 Q 4.1856 7.7884 115.3243 57.0050 29.3428 175.4067 70 N 4.4403 8.9400 116.5649 54.3772 35.8137 173.5698 71 H 5.1274 8.1610 114.3866 54.1212 31.5703 172.9630 72 Y 4.5947 8.8618 125.6938 56.4670 40.3366 172.6900 73 P 4.3485 0.0000 0.0000 60.7738 33.1754 174.8436 74 D 4.2165 8.6551 119.3780 56.8773 41.7604 177.2756 75 F 5.2088 8.2413 116.4246 55.9478 43.2910 174.0271 76 T 5.1087 9.3712 120.7211 61.8679 70.9253 173.3244 77 L 5.9527 9.1344 126.6116 52.5479 45.0608 175.1421 78 Y 5.1187 8.1785 117.5621 56.4272 40.9781 172.9269 79 K 4.1769 8.0990 120.2614 54.7199 33.3954 176.1098 80 P 4.3105 0.0000 0.0000 65.7887 31.4478 178.0921 81 S 4.2869 7.9223 111.2497 60.3495 63.6971 174.1120 82 E 4.6689 7.8582 120.3019 53.7345 29.4356 174.3629 83 P 4.0946 0.0000 0.0000 65.3046 32.0122 177.7722 84 N 4.3578 8.1260 114.4407 54.3626 37.7638 175.4953 85 K 4.6782 7.2997 120.9515 54.1678 31.1423 181.1203 86 K 4.4804 8.4003 124.2811 56.2273 34.4762 177.9220 87 I 4.6922 9.0469 123.1515 59.4262 40.1764 174.3205 88 A 5.0103 8.5858 129.0257 50.1808 21.3165 175.3919 89 I 5.0711 8.6226 123.2461 59.4838 40.8572 174.2605 90 D 5.3194 9.0951 125.2989 52.5807 44.6743 174.0408 91 I 4.9306 9.0316 126.7687 60.2086 38.4977 175.3593 92 K 4.9319 9.2165 126.2774 54.9546 35.7108 175.4125 93 T 5.5747 8.6344 118.8021 62.6770 73.0378 172.5676 94 T 4.7430 8.7652 117.8357 61.5359 71.6322 171.1599 95 Y 4.7001 8.0317 121.2011 55.3464 41.6539 174.1883 96 T 4.2271 8.3568 111.3053 60.8476 72.2865 172.9349 *101 E 4.4126 8.7127 115.6340 56.0182 31.2388 171.6104 102 K 4.4193 8.3435 122.4830 55.6298 33.1946 176.0291 103 I 4.6604 9.2430 118.5339 60.0486 41.4669 174.6187 104 K 5.1045 7.8816 123.5539 54.2158 35.6238 174.5528 105 F 5.0176 9.5798 120.1169 55.9931 43.5478 173.9526 106 T 4.8783 8.7016 111.0011 60.2290 70.0333 174.2962 107 L 4.6284 9.1360 126.7805 54.5422 42.5669 177.6271 108 G 4.0192 8.4750 105.1278 44.8793 0.0000 174.1957 109 G 3.6992 8.0840 108.0873 45.5613 0.0000 173.2938 110 Y 4.4465 8.0242 118.4797 56.6030 38.3986 176.8391 111 T 4.6605 7.4096 108.9510 61.6610 71.2088 174.1674 112 S 4.6113 6.9917 117.0252 57.7141 60.8836 177.4672 113 F 4.3263 8.5858 117.5064 59.5039 37.2695 176.9340 114 I 3.1073 6.5208 113.0333 62.1667 37.7076 176.5376 115 R 4.2731 6.8386 115.7747 56.2133 31.7184 175.4665 116 N 4.7725 8.2015 115.9053 51.8691 40.8090 174.1946 117 N 4.2481 8.5565 125.9219 56.4532 39.4299 175.8542 118 T 4.6764 7.8744 105.3091 61.0075 69.1836 173.1447 119 K 4.2570 8.4659 124.2621 56.6089 32.4557 175.9481 120 N 4.0181 8.8381 124.7918 54.2402 36.0371 173.6387 121 I 5.1309 7.5860 115.0809 59.0376 41.6203 174.9209 122 V 3.7278 8.9641 126.6908 65.5442 31.5416 175.8601 123 Y 4.8373 7.6516 113.6533 54.8702 41.3987 173.6144 124 P 4.6519 0.0000 0.0000 62.9407 32.2253 177.3759 125 F 4.4437 9.6490 125.7562 61.6444 39.3544 176.5732 126 D 4.6680 8.2666 117.9315 54.9198 39.4866 176.7058 127 Q 4.1840 8.4443 119.1425 56.2884 29.2571 174.4318 128 Y 4.8291 7.5181 116.5206 56.2890 39.3882 175.4796 129 I 4.4268 8.5565 117.2442 61.1362 39.1459 175.4385 130 A 4.7338 7.4245 123.7186 51.0137 22.9790 175.0523 131 H 5.0152 8.8804 116.6499 54.1866 32.4799 172.4340 132 W 5.5398 9.4048 124.1622 55.1780 32.0658 175.5290 133 I 5.0358 9.3125 123.8832 59.7452 39.7348 174.6458 134 I 4.4158 8.7797 128.8560 59.8389 38.7388 174.7892 135 G 3.3327 6.9727 115.3231 44.1591 0.0000 171.1236 136 Y 5.0121 9.0736 122.6411 55.9430 40.9450 174.8488 137 V 5.0572 8.8671 124.0968 61.2073 34.6780 173.8200 138 Y 5.2229 8.2660 124.9080 55.5321 41.8916 174.2618 139 T 4.6434 9.1092 120.9186 63.1301 70.2938 175.1834 140 R 4.5160 8.7880 127.6914 58.3907 30.1658 170.7967 141 V 3.9778 8.9990 123.7987 62.9131 33.3067 178.4932 *149 K 4.0046 9.2567 113.9060 54.3713 33.6829 177.4918 150 T 4.5215 7.9468 112.6121 60.5775 70.6423 173.1345 151 Y 4.7783 9.0017 119.7093 56.4368 42.5769 174.2037 152 N 5.1561 9.2633 117.9105 51.3787 41.6259 176.4175 153 I 3.6581 8.4229 120.5774 64.8403 37.2288 177.7104 154 N 4.6677 8.1578 114.7618 54.6345 38.8163 174.4855 155 E 5.3067 8.0579 114.7923 55.4697 30.9123 177.4878 156 L 3.9224 7.6438 120.1636 58.1154 41.8325 178.6242 157 N 4.4857 7.9876 114.3404 55.6392 39.1203 176.0765 158 E 4.1016 8.6381 118.0527 58.2237 29.9928 176.9385 159 I 3.2605 7.2654 120.0305 60.3394 37.3467 173.8927 160 P 4.2831 0.0000 0.0000 62.9305 32.1120 176.4961 161 K 4.3968 8.0815 122.3027 52.7568 33.7767 172.7792 162 P 5.0061 0.0000 0.0000 63.0336 32.5758 174.1952 163 Y 5.4191 7.2018 119.4024 57.4051 41.3663 173.7728 164 K 4.4813 9.6966 122.1139 53.3495 36.7882 174.9081 165 G 3.9376 8.4271 105.0626 47.6725 0.0000 173.8359 166 V 4.1137 7.4799 118.2108 62.8532 32.8333 176.1109 167 K 4.7020 9.1721 127.3477 54.4534 35.3746 175.4997 168 V 5.0472 8.4667 121.4548 58.9660 34.6860 174.3406 169 F 5.0261 7.5640 115.4140 55.5343 41.6752 172.4724 170 L 5.1678 8.4278 121.1080 53.4487 44.3244 175.1461 171 Q 4.4979 8.9545 125.8464 54.6415 33.1472 173.3222 172 D 5.0105 8.3916 123.3486 53.8848 42.0573 177.1708 173 K 3.8968 9.1572 125.7960 59.6358 32.2645 179.1678 174 W 2.9033 7.9869 116.1858 59.3136 27.6728 178.1505 175 V 2.7036 6.5980 118.9681 64.3409 30.7437 176.9445 176 I 4.1226 7.2095 109.7848 59.5267 38.1852 175.4358 177 A 4.3687 7.0352 123.7599 52.5354 18.8769 177.3681 178 G 4.4028 8.9708 111.1948 44.1537 0.0000 172.9812 179 D 4.4647 8.6337 117.4386 52.7540 40.0830 175.6500 180 L 5.1490 7.7757 119.9437 52.7226 44.9390 175.8082 181 A 4.5574 9.2412 124.5593 52.7036 18.6550 177.7279 182 G 4.0657 9.3917 107.9811 47.6475 0.0000 174.1215 183 S 4.3960 7.8962 113.3629 57.4172 65.6143 173.7864 184 G 3.8401 9.1314 111.0980 47.5158 0.0000 175.3612 185 N 4.3175 8.1658 120.9909 54.7566 37.8534 176.2190 186 T 4.1790 7.8520 106.5872 60.6659 69.8593 175.0293 187 T 3.1692 7.3311 110.9802 62.8064 67.8711 170.7182 188 N 5.3015 7.7151 121.7106 52.0705 42.1910 176.0548 189 I 3.0445 8.7838 123.3770 60.9976 38.4015 175.4049 190 G 4.7141 8.5392 113.1884 44.1330 0.0000 173.5068 191 S 5.2631 8.6722 118.5811 56.7840 64.9629 173.6136 192 I 3.9545 8.5090 114.2561 61.4210 38.2337 175.4239 193 H 5.0979 8.5988 122.8720 55.4736 30.9151 172.4671 194 A 4.4345 8.5657 128.7899 52.0533 22.7955 174.6848 195 H 5.0487 8.6313 111.6149 54.9315 30.5788 175.7334 196 Y 4.4617 9.1954 124.9276 62.0569 38.3867 179.6230 197 K 3.8186 8.2919 123.6797 59.9899 31.7823 180.5478 198 D 4.5739 8.0744 119.5690 57.0325 40.0724 178.9947 199 F 3.4988 7.6545 118.0338 60.0389 38.6790 177.7143 200 V 3.3114 6.8860 116.6095 66.0452 31.4604 177.7641 201 E 4.0224 8.2553 116.4282 56.7242 29.4656 177.0162 202 G 3.4759 7.3214 108.2730 47.1984 0.0000 175.8498 203 K 4.2042 7.6050 121.0693 52.8014 30.6603 179.4722 204 G 4.3490 7.5412 115.1021 43.9506 0.0000 171.2766 205 I 4.2675 8.1067 110.8258 61.3491 39.7885 176.4073 206 F 4.6327 8.0176 118.6211 57.4205 39.4479 175.0208 207 D 4.8035 9.6291 124.6721 56.4373 41.5431 177.1056 208 S 3.9904 7.6151 112.3430 55.6354 67.2820 174.4116 209 E 3.3172 7.2350 121.6223 58.8579 29.1172 178.4063 210 D 4.3416 7.7307 118.9009 57.1499 40.8646 178.0376 211 E 4.0716 8.1354 119.6341 59.1050 29.6991 178.5133 212 F 2.6258 7.9458 120.1890 60.9806 39.4326 177.1057 213 L 3.5121 7.9574 118.4988 57.6265 41.2846 179.1053 214 D 4.3576 8.3439 118.2180 57.4062 41.3375 177.5845 215 Y 3.3904 7.9702 120.2647 60.3970 38.5591 178.0303 216 W 4.1897 7.7083 117.4660 58.7567 29.2716 178.3251 217 R 4.2237 7.8946 117.4698 57.7005 29.6372 176.8505 218 N 4.8679 7.4374 113.9499 52.7680 39.2693 173.7626 219 Y 3.4594 7.1552 119.9608 56.8932 37.9865 175.0163 220 E 4.1463 7.3199 126.3956 55.3670 30.5935 177.8427 221 R 4.6042 8.9211 121.2474 58.1634 30.5706 177.5142 222 T 4.7480 7.1596 106.9768 58.9548 72.9911 174.9503 223 S 4.0264 8.6918 119.7739 62.3893 62.6335 177.2901 224 Q 3.9653 7.9205 122.8737 60.1823 27.9828 180.9180 225 L 4.2524 7.4749 119.7640 57.5081 41.7112 179.8031 226 R 3.7221 8.1064 120.5897 59.2709 29.6448 179.1873 227 N 4.2858 8.1087 119.2942 57.7019 37.5624 180.7724 228 D 4.6885 7.5525 118.1987 54.6615 41.1620 177.1647 229 K 3.8908 7.8126 118.7777 56.0360 31.7730 176.3893 230 Y 4.9373 7.3882 109.9533 55.8232 41.3682 175.1530 231 N 4.9091 9.3259 118.1759 53.0912 40.8264 174.2047 232 N 5.2945 7.7791 116.3874 50.7844 41.6396 174.7870 233 I 3.8330 9.0473 120.3395 64.1904 37.8884 177.8044 234 S 4.1584 8.1707 115.5725 61.8963 62.7063 176.4144 235 E 4.0734 8.6782 121.0400 59.4555 29.1743 178.8556 236 Y 3.6811 8.1502 119.5669 60.7840 38.8595 178.4573 237 R 3.8269 8.3124 118.9516 59.1989 30.1160 178.9094 238 N 4.3715 8.2052 116.2254 56.1259 38.6215 177.1591 239 W 4.2636 8.5299 129.9873 60.6166 30.6629 178.1442 240 I 3.2579 7.7630 119.7313 64.2111 36.3183 177.5368 241 Y 4.0308 8.2114 122.1012 61.3585 38.7234 178.5287 242 R 4.2307 7.8970 118.2074 58.3414 29.7383 178.6060 243 G 4.0358 7.6471 106.8821 45.7684 0.0000 174.4461 244 R 2.0000 7.5587 124.4737 55.6989 30.4985 176.1110 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 S 8.19 4.52 0.00 4.07 4.12 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 0.00 0.00 0.00 3 L 8.49 3.34 0.00 1.72 1.73 0.69 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 4 R 7.88 3.47 0.00 1.64 1.74 0.00 2.30 0.00 0.00 3.10 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.77 0.00 5 S 7.78 4.01 0.00 4.07 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 6 D 8.34 4.29 0.00 2.90 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 L 8.31 3.88 0.00 1.92 1.63 1.08 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 8 I 7.91 3.62 1.96 0.00 0.00 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 1.36 0.37 0.81 0.00 0.00 9 N 8.35 4.31 0.00 2.85 2.87 0.00 0.00 6.98 8.65 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 10 A 8.13 4.00 1.33 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 0.00 0.00 11 L 8.04 3.97 0.00 1.70 1.71 0.88 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 12 Y 8.02 3.98 0.00 3.07 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 13 D 8.81 4.54 0.00 2.99 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 14 E 8.72 4.00 0.00 1.97 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.21 0.00 15 N 8.18 4.53 0.00 3.01 2.80 0.00 0.00 7.30 6.93 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 16 Q 8.13 4.17 0.00 2.16 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 7.25 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 17 K 7.41 4.60 0.00 1.75 1.67 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.33 1.24 7.81 *18 Y 7.55 4.94 0.00 2.28 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 0.00 0.00 0.00 19 D 8.34 4.78 0.00 2.58 2.55 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 0.00 20 V 8.22 3.95 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 0.73 0.00 0.00 0.75 0.00 0.00 21 C 9.03 4.35 0.00 2.96 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 22 G 7.14 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 I 7.79 4.45 1.90 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.07 0.90 0.00 0.00 24 I 8.07 5.05 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.17 0.95 0.00 0.00 25 S 8.74 4.72 0.00 4.14 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 26 A 8.64 4.04 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 27 E 8.24 4.39 0.00 1.99 1.83 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 2.17 1.86 0.00 28 G 8.57 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 29 K 8.01 4.41 0.00 1.48 1.69 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.80 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.36 1.29 7.81 30 I 8.79 4.98 1.92 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.64 0.97 0.00 0.00 31 Y 9.16 5.01 0.00 2.88 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 32 P 0.00 4.75 0.00 2.00 2.00 0.00 3.82 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 2.39 2.29 0.00 33 L 8.40 4.34 0.00 1.60 1.53 0.95 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 34 G 8.12 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 0.00 0.00 0.00 0.00 35 S 8.47 4.26 0.00 3.97 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 36 D 8.18 4.34 0.00 2.62 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.70 3.88 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 38 K 8.08 4.19 0.00 1.77 1.82 0.00 1.67 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.44 7.81 39 V 8.36 3.37 2.15 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 0.89 0.00 0.00 0.87 0.00 0.00 40 L 7.55 3.27 0.00 1.28 0.85 0.46 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 41 S 8.27 4.27 0.00 3.81 3.97 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 42 T 7.26 3.82 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 1.16 0.00 0.00 43 I 7.44 3.53 1.35 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 1.26 0.57 0.28 0.00 0.00 44 F 8.04 4.34 0.00 2.58 1.85 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 45 E 8.25 4.18 0.00 1.99 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 2.24 2.22 0.00 46 L 7.82 4.30 0.00 1.80 1.81 0.92 0.74 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 47 F 8.28 4.38 0.00 3.06 3.31 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 48 S 8.23 4.29 0.00 4.14 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 49 R 7.85 3.81 0.00 2.01 2.12 0.00 3.26 0.00 0.00 3.33 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.24 0.00 50 P 0.00 4.25 0.00 2.19 2.27 0.00 3.62 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 1.93 1.99 0.00 51 I 7.48 3.58 1.90 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.29 0.84 0.00 0.00 52 I 7.51 3.53 1.47 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.46 0.57 0.00 0.00 53 N 8.10 4.30 0.00 2.91 2.95 0.00 0.00 7.39 6.89 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 54 K 8.12 3.97 0.00 1.81 1.80 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.37 1.35 7.81 55 I 7.72 3.93 1.83 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.20 0.88 0.00 0.00 56 A 8.33 4.03 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 57 E 8.30 3.96 0.00 1.99 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.20 0.00 58 K 7.93 4.11 0.00 1.91 2.14 0.00 1.77 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.49 7.81 59 H 7.89 4.82 0.00 3.37 3.57 0.00 5.79 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 G 7.81 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 Y 7.96 4.54 0.00 2.98 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 62 I 8.42 4.23 0.98 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 1.01 0.21 0.78 0.00 0.00 63 V 8.27 5.07 2.19 0.00 0.00 0.00 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 1.06 0.00 0.00 64 E 9.39 4.85 0.00 2.11 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 2.38 2.54 0.00 65 E 8.71 4.95 0.00 1.84 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 0.00 2.27 2.27 0.00 66 P 0.00 4.30 0.00 2.03 2.05 0.00 3.57 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 1.99 2.15 0.00 *68 Q 8.51 4.24 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 6.99 0.00 0.00 0.00 0.00 0.00 2.18 1.96 0.00 69 Q 7.79 4.19 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.54 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 70 N 8.94 4.44 0.00 2.96 3.00 0.00 0.00 6.77 8.16 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 71 H 8.16 5.13 0.00 3.21 3.23 0.00 5.89 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 Y 8.86 4.59 0.00 3.02 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 73 P 0.00 4.35 0.00 1.69 0.49 0.00 3.71 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.42 0.00 74 D 8.66 4.22 0.00 2.54 1.80 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 75 F 8.24 5.21 0.00 2.94 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 T 9.37 5.11 4.60 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 1.35 0.00 0.00 77 L 9.13 5.95 0.00 1.43 1.47 0.96 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 78 Y 8.18 5.12 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 79 K 8.10 4.18 0.00 1.50 1.49 0.00 1.74 0.00 0.00 1.54 0.00 0.00 2.42 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.80 0.23 7.81 80 P 0.00 4.31 0.00 1.97 2.10 0.00 3.51 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.90 0.00 81 S 7.92 4.29 0.00 3.94 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 82 E 7.86 4.67 0.00 1.97 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 2.18 2.19 0.00 83 P 0.00 4.09 0.00 1.87 1.92 0.00 3.62 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 1.98 2.26 0.00 84 N 8.13 4.36 0.00 2.75 2.85 0.00 0.00 5.65 7.13 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 85 K 7.30 4.68 0.00 1.47 1.61 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.27 1.25 7.81 86 K 8.40 4.48 0.00 0.84 1.31 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.15 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.82 1.05 7.81 87 I 9.05 4.69 1.47 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.60 -0.39 0.00 0.00 88 A 8.59 5.01 0.68 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 89 I 8.62 5.07 2.11 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 1.25 0.84 1.10 0.00 0.00 90 D 9.10 5.32 0.00 2.89 2.60 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 91 I 9.03 4.93 2.05 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.04 1.19 0.00 0.00 92 K 9.22 4.93 0.00 1.56 1.93 0.00 1.77 0.00 0.00 1.78 0.00 0.00 3.00 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.39 1.60 7.81 93 T 8.63 5.57 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 94 T 8.77 4.74 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 0.46 0.00 0.00 95 Y 8.03 4.70 0.00 2.19 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 T 8.36 4.23 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 1.06 0.00 0.00 *101 E 8.71 4.41 0.00 2.04 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.91 0.00 102 K 8.34 4.42 0.00 1.26 1.57 0.00 1.26 0.00 0.00 1.65 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 111 T 7.41 4.66 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 1.11 0.00 0.00 112 S 6.99 4.61 0.00 4.10 3.02 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 0.00 113 F 8.59 4.33 0.00 3.24 3.55 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 0.00 114 I 6.52 3.11 1.56 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.34 0.60 0.00 0.00 115 R 6.84 4.27 0.00 1.82 1.96 0.00 3.12 0.00 0.00 3.18 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 116 N 8.20 4.77 0.00 2.71 2.62 0.00 0.00 6.65 7.25 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 0.00 117 N 8.56 4.25 0.00 2.94 2.91 0.00 0.00 6.68 7.22 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 0.00 118 T 7.87 4.68 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 1.30 0.00 0.00 119 K 8.47 4.26 0.00 1.74 1.88 0.00 1.94 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.38 1.40 7.81 120 N 8.84 4.02 0.00 3.12 3.03 0.00 0.00 6.46 7.26 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 0.00 121 I 7.59 5.13 1.99 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.13 1.20 0.00 0.00 122 V 8.96 3.73 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 0.61 0.00 0.00 0.98 0.00 0.00 123 Y 7.65 4.84 0.00 2.90 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 0.00 124 P 0.00 4.65 0.00 2.35 2.11 0.00 3.97 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.19 0.00 125 F 9.65 4.44 0.00 3.33 3.48 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 0.00 126 D 8.27 4.67 0.00 2.83 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 0.00 127 Q 8.44 4.18 0.00 1.94 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.83 0.00 0.00 0.00 0.00 0.00 2.21 2.28 0.00 128 Y 7.52 4.83 0.00 2.75 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 I 8.56 4.43 1.87 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 1.14 0.67 0.87 0.00 0.00 130 A 7.42 4.73 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 H 8.88 5.02 0.00 3.22 3.41 0.00 5.60 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 W 9.40 5.54 0.00 3.25 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 0.00 133 I 9.31 5.04 1.97 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.33 0.79 0.00 0.00 134 I 8.78 4.42 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.83 0.69 0.00 0.00 135 G 6.97 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 0.00 0.00 0.00 136 Y 9.07 5.01 0.00 2.88 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 0.00 0.00 0.00 0.00 137 V 8.87 5.06 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 1.20 0.00 0.00 138 Y 8.27 5.22 0.00 3.18 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 0.00 139 T 9.11 4.64 4.35 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 1.33 0.00 0.00 140 R 8.79 4.52 0.00 1.62 1.72 0.00 3.21 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.45 0.00 141 V 9.00 3.98 2.18 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 0.87 0.00 0.00 0.94 0.00 0.00 *149 K 9.26 4.00 0.00 1.84 1.62 0.00 1.85 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 150 T 7.95 4.52 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 151 Y 9.00 4.78 0.00 2.84 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 N 9.26 5.16 0.00 2.71 2.70 0.00 0.00 7.41 7.25 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 0.00 153 I 8.42 3.66 1.88 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 1.31 1.14 0.92 0.00 0.00 154 N 8.16 4.67 0.00 2.67 2.83 0.00 0.00 6.76 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 0.00 155 E 8.06 5.31 0.00 2.37 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 0.00 2.40 2.25 0.00 156 L 7.64 3.92 0.00 1.55 1.75 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 157 N 7.99 4.49 0.00 2.69 2.84 0.00 0.00 6.93 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 E 8.64 4.10 0.00 2.13 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.27 0.00 159 I 7.27 3.26 1.54 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.04 0.63 0.00 0.00 160 P 0.00 4.28 0.00 2.11 1.99 0.00 3.51 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.95 0.00 161 K 8.08 4.40 0.00 1.79 1.62 0.00 1.79 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.28 0.97 7.81 162 P 0.00 5.01 0.00 2.11 2.25 0.00 3.60 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 2.09 1.94 0.00 163 Y 7.20 5.42 0.00 3.22 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 K 9.70 4.48 0.00 1.41 1.65 0.00 1.92 0.00 0.00 1.65 0.00 0.00 2.77 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.27 1.27 7.81 165 G 8.43 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 0.00 166 V 7.48 4.11 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.95 0.00 0.00 167 K 9.17 4.70 0.00 1.23 0.74 0.00 1.15 0.00 0.00 0.61 0.00 0.00 2.69 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.93 1.22 7.81 168 V 8.47 5.05 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 0.85 0.00 0.00 0.18 0.00 0.00 169 F 7.56 5.03 0.00 2.94 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 0.00 170 L 8.43 5.17 0.00 1.47 1.34 0.69 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 171 Q 8.95 4.50 0.00 2.13 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.78 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 172 D 8.39 5.01 0.00 2.43 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 0.00 173 K 9.16 3.90 0.00 1.95 1.89 0.00 1.81 0.00 0.00 1.90 0.00 0.00 3.20 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.38 1.51 7.81 174 W 7.99 2.90 0.00 3.13 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 0.00 175 V 6.60 2.70 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 -0.77 0.00 0.00 176 I 7.21 4.12 1.91 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.74 0.68 0.00 0.00 177 A 7.04 4.37 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 G 8.97 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 0.00 179 D 8.63 4.46 0.00 2.46 2.19 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.78 5.15 0.00 1.74 1.74 0.99 0.92 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 0.00 181 A 9.24 4.56 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 G 9.39 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 0.00 183 S 7.90 4.40 0.00 3.86 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 G 9.13 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 N 8.17 4.32 0.00 2.82 2.98 0.00 0.00 5.94 7.71 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 0.00 186 T 7.85 4.18 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 187 T 7.33 3.17 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 1.10 0.00 0.00 188 N 7.72 5.30 0.00 2.66 2.73 0.00 0.00 7.09 7.18 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 0.00 189 I 8.78 3.04 1.57 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.34 0.35 0.00 0.00 190 G 8.54 4.71 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 0.00 191 S 8.67 5.26 0.00 4.45 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 0.00 192 I 8.51 3.95 1.73 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.07 0.81 0.00 0.00 193 H 8.60 5.10 0.00 3.17 3.27 0.00 5.78 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 A 8.57 4.43 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 195 H 8.63 5.05 0.00 3.50 3.31 0.00 5.85 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 Y 9.20 4.46 0.00 3.16 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 K 8.29 3.82 0.00 1.80 1.81 0.00 1.85 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.45 1.11 7.81 198 D 8.07 4.57 0.00 2.61 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 199 F 7.65 3.50 0.00 2.51 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 0.00 200 V 6.89 3.31 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.40 0.00 0.00 201 E 8.26 4.02 0.00 1.81 1.87 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 2.23 2.37 0.00 202 G 7.32 3.48 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 0.00 203 K 7.61 4.20 0.00 1.81 1.65 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.25 7.81 204 G 7.54 4.35 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 0.00 205 I 8.11 4.27 1.58 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.07 0.77 0.00 0.00 206 F 8.02 4.63 0.00 3.51 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 207 D 9.63 4.80 0.00 2.76 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 0.00 208 S 7.62 3.99 0.00 3.73 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 0.00 209 E 7.24 3.32 0.00 1.16 1.55 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 2.43 2.38 0.00 210 D 7.73 4.34 0.00 2.72 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 0.00 211 E 8.14 4.07 0.00 2.25 2.36 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 2.71 2.73 0.00 212 F 7.95 2.63 0.00 2.70 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 0.00 213 L 7.96 3.51 0.00 1.73 1.68 1.15 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 214 D 8.34 4.36 0.00 3.00 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 0.00 215 Y 7.97 3.39 0.00 2.34 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 0.00 216 W 7.71 4.19 0.00 2.97 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 0.00 217 R 7.89 4.22 0.00 2.05 2.01 0.00 3.22 0.00 0.00 3.24 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 218 N 7.44 4.87 0.00 2.78 2.85 0.00 0.00 6.95 7.31 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 0.00 219 Y 7.16 3.46 0.00 2.48 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 0.00 0.00 0.00 0.00 220 E 7.32 4.15 0.00 1.56 1.58 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 1.89 1.93 0.00 221 R 8.92 4.60 0.00 1.83 2.08 0.00 3.23 0.00 0.00 2.25 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.78 0.00 222 T 7.16 4.75 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 1.21 0.00 0.00 223 S 8.69 4.03 0.00 4.03 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 224 Q 7.92 3.97 0.00 2.17 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.13 0.00 0.00 0.00 0.00 0.00 2.28 2.03 0.00 225 L 7.47 4.25 0.00 1.70 1.58 0.85 0.85 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 0.00 226 R 8.11 3.72 0.00 1.76 1.84 0.00 2.46 0.00 0.00 2.25 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 1.44 0.00 227 N 8.11 4.29 0.00 2.79 2.75 0.00 0.00 7.07 7.61 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 0.00 228 D 7.55 4.69 0.00 2.61 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 0.00 229 K 7.81 3.89 0.00 1.33 0.76 0.00 1.38 0.00 0.00 0.96 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.31 1.11 7.81 230 Y 7.39 4.94 0.00 2.98 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 0.00 231 N 9.33 4.91 0.00 2.81 2.89 0.00 0.00 6.75 8.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 232 N 7.78 5.29 0.00 3.17 2.98 0.00 0.00 6.37 7.83 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 0.00 233 I 9.05 3.83 1.47 0.00 0.00 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 1.29 1.21 0.80 0.00 0.00 234 S 8.17 4.16 0.00 4.12 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 0.00 235 E 8.68 4.07 0.00 2.30 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.60 0.00 236 Y 8.15 3.68 0.00 2.34 3.14 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 0.00 237 R 8.31 3.83 0.00 2.10 2.01 0.00 3.25 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 2.05 0.00 238 N 8.21 4.37 0.00 2.98 2.92 0.00 0.00 6.62 7.61 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 0.00 239 W 8.53 4.26 0.00 3.42 3.38 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 0.00 240 I 7.76 3.26 1.80 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 -0.16 0.79 0.00 0.00 241 Y 8.21 4.03 0.00 2.94 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 0.00 242 R 7.90 4.23 0.00 1.96 1.81 0.00 3.29 0.00 0.00 3.23 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.51 0.00 243 G 7.65 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 0.00 244 R 7.56 2.00 0.00 1.39 0.86 0.00 2.92 0.00 0.00 2.98 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.89 0.00 * Residues marked with a * may have inaccurate shift predictions.