NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3556 8.3349 115.2751 58.1568 63.6240 173.5705 3 F 4.6479 8.7111 124.9327 58.2558 39.4079 176.5046 4 I 4.0086 7.9513 114.1282 62.6356 38.6572 177.3010 5 K 3.2739 7.8491 122.1748 59.3280 31.7021 176.7568 6 P 4.4243 0.0000 0.0000 65.1675 31.7021 178.1739 7 I 4.3048 7.8339 117.8492 61.8171 35.9591 181.5086 8 Y 4.3102 7.9154 123.5896 62.4828 38.7605 178.3857 9 Q 3.8473 8.3259 123.5332 61.2572 27.9443 181.3982 10 D 4.5871 7.8921 122.5419 57.9961 39.8893 179.8895 11 I 3.8192 7.3311 121.3281 64.5255 37.2377 177.5938 12 N 4.0628 7.8332 117.7077 57.1729 38.3631 176.9721 13 S 4.1634 7.2495 113.9344 61.4416 62.9902 176.4120 14 I 3.8876 7.7893 122.2991 64.2930 37.0646 178.2306 15 L 4.3983 8.3201 120.2377 56.5494 41.4393 176.5987 16 I 3.8905 7.2270 122.8855 64.8841 37.1680 175.0387 17 G 4.1323 8.3279 115.8801 45.9581 0.0000 173.9884 18 Q 4.2586 9.0426 122.7428 56.4339 29.6404 176.6851 19 K 5.2205 8.5960 126.0650 53.8293 35.2177 173.7135 20 V 4.3878 8.6056 114.9784 60.8738 35.8650 177.1417 21 K 3.8853 8.8702 125.2766 56.3299 32.4168 174.9371 *33 A 4.2372 8.0409 120.1880 52.9040 19.6669 177.0627 34 G 3.8185 8.4540 108.6151 44.9466 0.0000 176.9617 35 E 4.0243 8.3997 121.4013 60.4356 29.7742 178.4840 36 P 4.4317 0.0000 0.0000 65.8887 30.9902 178.3267 37 F 4.1350 7.9402 117.4710 60.3847 38.7956 177.1695 38 E 4.1387 8.5472 121.4399 59.9293 29.3935 179.7057 39 K 4.1702 8.0100 123.3122 59.7091 31.6115 180.5350 40 L 4.1784 8.3648 121.6247 58.0899 41.9831 179.3220 41 V 3.8035 7.9844 118.4736 65.8198 31.4005 177.5125 42 Y 4.2194 8.3335 121.9281 61.3640 38.2314 178.7059 43 K 3.8401 8.6430 127.1791 59.9618 31.5520 181.4787 *44 F 4.3104 7.5467 118.3123 62.1672 37.8122 182.2986 45 L 4.1741 7.8974 120.0257 57.3784 41.3165 179.5840 46 K 3.9045 8.1181 122.1691 59.7188 31.8484 179.4264 47 E 4.1668 7.7285 119.5223 60.8447 29.7070 180.9007 48 N 4.6886 7.9300 116.9741 55.7200 39.2154 180.2276 49 L 4.5455 6.7081 122.7371 54.7675 40.2260 179.0650 50 S 4.1582 7.9514 120.0183 61.3930 62.6920 178.7494 51 D 4.8165 7.9079 115.6760 54.2491 39.4696 178.8854 52 L 3.9502 7.8873 117.7083 57.4098 42.7910 175.1791 53 T 4.6865 7.2469 116.2068 62.4935 69.3961 173.3454 54 F 5.3006 9.1587 128.1861 56.2684 42.7050 176.1167 55 K 3.9372 8.7663 126.5557 55.4405 30.6672 178.5721 56 Q 3.0072 8.9990 124.3573 57.0015 31.4468 175.4673 57 Y 4.1245 8.1092 118.3911 60.5397 38.5647 178.6883 58 E 3.5098 7.4866 120.5847 61.1576 29.5788 181.7204 59 Y 4.0592 7.8553 119.9218 60.3366 38.8236 177.4753 60 L 3.7552 7.4951 121.0846 58.7153 41.8576 180.0039 61 N 4.5720 8.5863 117.2703 56.9877 37.4851 178.2211 62 D 4.6331 7.2474 117.4009 57.3421 40.9950 178.3459 63 L 3.8213 7.4304 119.9097 56.7855 42.0834 176.8082 64 F 4.0713 6.9374 115.4389 55.9563 40.4474 173.4684 *73 H 4.3262 8.2946 123.1740 57.5320 29.7436 170.5250 74 E 3.7665 7.8821 116.7885 57.2622 28.2985 172.7990 75 A 4.1297 7.4531 119.6147 54.8019 18.7011 179.3903 76 R 3.4127 7.9218 116.3354 60.1452 30.2057 178.5214 77 Y 4.7464 8.1622 117.6465 61.2802 37.7030 179.2285 78 K 4.1595 7.8967 124.4477 59.1655 31.8690 183.9469 79 L 4.4163 7.3501 118.5500 57.0402 41.7063 177.9197 80 F 4.3918 7.4420 119.3161 57.7536 38.3217 174.6939 81 N 4.7125 8.5658 127.9912 53.1080 39.2169 176.0792 82 S 4.3557 7.8394 109.2839 55.7360 65.5376 171.7117 83 P 4.1962 0.0000 0.0000 66.5461 31.1524 178.0469 84 T 3.7427 7.8762 113.7210 66.6493 68.3071 176.0052 85 L 3.5106 7.6767 120.2062 57.9729 41.7503 179.3173 86 L 3.0942 7.9584 120.3681 57.9433 41.7640 178.5573 87 F 4.0457 8.3811 120.4154 61.4959 39.3759 176.9515 88 L 3.6994 7.5172 116.7150 55.9203 41.6012 177.4960 89 L 4.3866 7.0479 115.8555 53.9938 43.8615 177.0242 90 S 3.8928 7.7497 113.4584 58.4102 62.8897 174.2411 91 R 4.5595 8.0296 125.1495 54.7263 32.5488 176.4224 92 G 3.8707 8.6700 109.2587 46.9201 0.0000 175.3544 93 K 4.9032 9.0388 120.6804 55.4196 31.7879 178.4794 94 A 4.5832 7.9262 119.0208 53.7144 20.9272 178.7181 95 A 4.1973 8.0855 117.3091 55.2606 18.7406 179.1798 96 T 4.6810 8.4479 108.8598 64.3786 69.3912 176.6809 97 E 4.3954 8.0367 119.6579 58.6944 30.3143 181.5495 98 N 5.2167 7.6464 113.4919 53.1596 39.4511 174.3595 99 W 4.2425 8.2424 129.6935 57.4711 31.9827 174.6894 100 S 3.9540 6.4438 126.9286 58.2981 67.6402 176.6304 101 I 4.1231 6.5822 119.6777 59.0990 37.6515 174.3462 *105 F 4.6590 7.7632 122.2248 58.0477 40.4759 174.9110 106 E 4.1249 8.5109 119.1646 53.9536 33.7269 176.8868 107 E 4.0493 7.8263 116.0629 57.5747 30.3268 177.5887 108 K 4.7616 8.5228 123.3104 51.9038 35.0137 176.2826 109 Q 4.0752 8.7164 122.1826 57.9774 29.2284 176.5701 110 N 4.9211 7.8468 113.1346 52.3547 37.6750 174.1062 111 D 4.3500 7.6138 119.4328 55.0746 41.3664 176.3020 112 T 3.9011 8.6813 121.1822 66.0620 68.5875 174.0237 113 A 4.7982 7.3168 120.1754 50.1794 21.7643 175.8622 114 D 4.6135 8.7698 120.9324 56.9212 41.6124 177.0474 115 I 4.7828 8.1844 117.8919 59.2251 41.7855 174.2925 116 L 5.1623 9.4934 127.2689 53.2781 45.1358 174.9773 117 L 5.9158 9.3031 125.9536 52.0587 44.8184 175.9213 118 V 5.4320 8.0018 124.9409 59.0043 34.4174 177.2977 119 K 4.2000 8.2349 123.4251 53.3730 33.4093 174.0419 *121 Q 4.3959 7.7165 119.5777 56.4344 30.3715 173.5439 122 F 5.2085 8.0675 122.2985 56.8067 43.0848 174.4642 123 Y 4.8960 8.1044 121.6650 55.9988 41.1372 174.3194 124 E 4.8334 9.4008 125.3643 54.5762 31.6904 174.9799 125 L 4.6278 8.9111 129.6544 53.5306 42.2402 175.3132 126 L 4.5602 8.7920 127.1169 53.9501 44.1283 174.7246 127 D 5.2080 8.3473 125.0703 52.3526 43.6740 175.0873 128 V 4.4724 8.6053 126.4301 62.8671 32.7908 175.4138 129 K 4.9211 9.1990 124.5327 54.7827 36.2948 175.2369 130 T 5.2324 8.7262 113.8100 59.9453 71.2980 173.2070 131 R 4.5584 8.7961 124.7927 54.5742 33.7020 174.0268 132 N 3.5217 8.3042 124.8726 50.2091 36.7970 173.9498 133 I 3.4962 7.5563 123.8413 63.4229 38.4095 177.1627 134 S 4.1751 7.4217 111.3783 58.5287 61.7888 173.5481 135 K 4.2648 7.4075 116.1871 56.0282 35.2065 175.4178 136 S 4.0772 8.7702 119.3372 58.7033 62.2922 173.2152 137 A 4.7701 8.0098 127.5342 49.5090 21.7079 175.2822 138 Q 4.0996 8.3764 120.1368 55.6737 29.7521 175.7953 139 A 3.8148 8.1545 123.7630 51.0454 18.9194 175.9464 140 P 4.4896 0.0000 0.0000 62.0574 33.5495 175.0753 141 N 4.1412 8.4257 117.8593 53.7200 38.3384 174.9528 142 I 3.7684 8.6581 127.2088 62.1900 37.1076 176.1031 143 I 4.5659 6.9272 112.4629 59.5993 41.6680 173.2156 144 S 4.5677 8.6244 117.1925 58.0753 63.1687 174.8358 145 A 4.5523 9.5244 131.5999 54.9499 18.1532 179.5002 146 Y 4.2904 8.3500 117.7425 60.8289 38.9293 177.9783 147 K 3.9696 8.1108 120.3221 59.4861 32.4265 178.6051 148 L 3.9050 8.1918 120.3727 57.8428 41.9192 178.8385 149 A 4.1256 8.0378 121.1174 55.1299 18.2068 179.6721 150 Q 3.6399 7.7817 116.6280 59.2134 28.6322 178.9411 151 T 3.9325 8.2457 117.0794 66.6348 68.3929 176.5358 152 C 4.2695 8.1198 118.3631 62.4482 28.3387 175.5787 153 A 4.0498 8.0735 124.8405 55.9944 17.9576 180.4088 154 K 3.8253 7.9359 121.7672 60.1814 31.6999 181.0127 155 M 4.1773 7.9045 122.0113 59.0709 31.6855 179.6598 156 I 3.8517 7.7226 118.9305 64.8153 35.7452 179.5656 157 D 4.7249 8.0254 119.2199 56.7193 40.7291 177.0772 158 N 4.6021 7.8335 116.0325 51.9799 38.0508 175.7321 159 K 3.1127 7.4654 117.9474 56.3402 29.1770 179.4398 160 E 4.6621 7.3140 119.7306 55.9216 29.7422 178.1353 161 F 4.5734 7.4975 113.6853 58.1374 39.4687 175.9144 162 D 4.5097 7.2645 121.5103 53.9814 43.3932 173.3248 163 L 4.8692 8.1592 135.0000 55.1963 44.1740 173.0481 164 F 4.8170 7.3593 110.4265 55.1071 41.4262 173.7454 165 D 4.8832 9.1541 118.4280 52.7831 45.7249 175.0596 166 I 4.5890 8.4975 122.7896 59.9033 38.8040 174.1249 167 N 5.1982 8.2217 123.7879 51.3337 42.2853 173.4910 168 Y 4.9795 8.6565 118.0509 56.1522 42.3332 174.7178 169 L 5.2686 8.6512 123.6167 53.3531 45.1538 174.8667 170 E 4.7188 9.2170 128.7095 55.8084 31.4597 175.5346 171 V 4.5650 9.1163 126.3759 61.1282 34.2066 173.6977 172 D 5.1202 9.0000 129.2327 53.4847 41.7871 175.8874 173 W 5.3229 8.8846 120.0246 54.6174 32.0116 173.8682 174 E 4.5252 9.7243 121.5033 54.2574 33.0176 174.1213 175 L 4.7553 8.7321 128.5962 54.8200 43.0330 175.3785 176 N 4.9302 8.9673 125.6849 52.3434 42.4436 175.1430 177 G 3.9650 9.7109 117.6307 46.3732 0.0000 173.2114 178 E 4.7800 9.3530 115.6003 55.6442 32.4225 176.5049 179 D 5.1689 8.3476 120.5567 52.6421 44.7140 175.1937 180 L 4.8183 9.6019 123.0806 54.4114 42.8494 176.4739 181 V 5.2939 8.8820 117.5584 59.1838 34.5102 174.9175 182 C 5.0098 8.7875 122.7244 59.1174 32.8705 174.1431 183 V 4.6090 8.3509 114.7505 61.0829 33.9787 175.3806 184 S 4.7051 7.7331 112.8467 58.1178 65.7700 174.1120 185 T 5.3314 8.4145 115.8530 62.5288 72.2139 173.3753 186 S 4.9933 9.3396 118.4978 57.2471 67.9885 173.0193 187 F 5.2600 8.5215 122.9546 56.8439 42.0577 173.3913 188 A 4.5630 8.3167 126.4357 50.2825 23.6822 174.4811 189 E 4.6603 9.2465 120.1486 53.7847 31.3221 176.4833 190 L 3.8309 8.5353 127.3864 58.6921 42.1632 179.8770 191 F 2.6263 7.2142 111.2772 57.4917 38.3158 176.0330 192 K 4.6712 8.3955 121.4744 56.2427 33.8214 176.6619 193 S 4.9729 7.5493 114.7851 56.8103 64.6744 174.2941 194 E 4.2340 9.0663 117.1896 53.9904 27.9080 172.4506 195 P 3.8379 0.0000 0.0000 64.8058 30.9104 178.8001 196 S 3.8211 7.5823 111.2276 59.8587 63.3517 174.9800 197 E 4.0994 8.5659 121.1475 59.4243 29.7137 176.7827 198 L 3.7383 6.7481 116.2872 52.3513 41.9030 175.9272 199 Y 4.5697 8.8092 125.0915 56.8100 40.5820 173.7972 200 I 4.2312 7.2980 126.8366 59.5755 39.0837 175.1714 201 N 4.3365 8.7216 128.0403 51.5151 38.4629 175.2862 202 W 4.1847 8.3594 125.3059 59.5491 29.5304 178.8393 203 A 3.9848 8.2627 118.7500 55.0499 18.5407 178.1121 204 A 4.2450 8.1253 119.7240 51.6243 17.2970 176.8564 205 A 3.6693 7.7574 118.0381 54.8024 16.8731 177.5341 206 M 3.1815 8.0047 115.1524 57.5349 30.8420 177.0310 207 Q 5.0256 7.4174 115.9136 54.4248 31.8028 176.3913 208 I 4.4635 8.8774 123.7393 61.3659 38.6261 175.0722 209 Q 4.9563 8.7123 124.4227 53.0007 31.8303 174.6586 210 F 4.6622 7.8215 115.9370 56.6908 40.5782 172.7415 211 H 4.6841 8.5658 117.4837 55.0000 29.7920 176.0544 212 V 3.6766 9.0782 126.6757 66.9385 31.5254 178.6742 213 R 4.0471 8.0558 115.8694 58.0412 29.1292 178.8320 214 D 4.8230 8.3863 114.2500 53.9478 41.5756 176.4509 215 L 3.8562 7.6807 122.9503 54.4287 42.8284 176.4382 216 D 4.6871 8.2840 124.8683 53.7389 40.2166 176.1925 217 Q 4.5657 8.3901 117.2752 56.0305 30.7624 175.9912 218 G 4.1577 8.1819 102.5886 44.2078 0.0000 174.0182 219 F 4.5480 8.3738 119.8684 57.0048 40.4885 174.5717 220 N 4.2832 8.5196 127.5794 53.7633 38.0706 174.1568 221 G 3.8531 7.2762 115.6235 44.5238 0.0000 170.8274 222 T 4.3797 7.4179 110.3049 60.4697 71.4526 175.6166 223 R 3.9587 8.6011 123.5099 59.9836 29.9275 179.2439 224 E 3.1515 7.7265 120.1949 61.5340 29.9030 183.6451 225 E 4.2636 7.7977 119.8099 61.1368 29.5897 180.6898 226 W 4.1107 8.5362 127.8547 60.2550 30.7376 177.4361 227 A 4.3163 8.5110 120.1928 55.7969 17.5891 179.4253 228 K 3.8865 8.2650 115.1804 59.8795 32.3133 179.4215 229 S 4.0651 7.9279 112.3944 61.4829 62.2427 175.1639 230 Y 3.8698 8.2054 122.5764 60.9307 38.4751 177.9601 231 L 4.0364 8.1423 119.5956 58.0305 41.6453 179.5847 232 K 3.9235 7.8067 118.8105 59.8605 32.2265 178.3482 233 H 4.2237 8.1374 118.4745 58.9026 29.7617 177.0256 234 F 3.7328 8.5673 123.6903 61.1519 39.2119 177.3109 235 V 3.7702 8.1996 117.9730 66.2519 31.3466 177.9206 236 T 3.8531 7.6111 115.4868 67.0817 68.3117 176.6752 237 Q 4.0645 7.9885 118.9711 58.5359 28.6944 178.6886 238 A 2.9052 7.8659 122.2421 54.7790 18.1816 179.5474 239 E 3.8410 8.3282 119.6090 60.2277 29.5660 180.2161 240 Q 3.9699 8.0747 120.7249 60.0866 28.1067 180.4191 241 R 3.8564 7.9749 120.5843 59.2505 28.7691 178.4607 242 A 3.9002 7.5716 120.3065 55.0259 18.0798 179.8529 243 I 3.6657 7.2766 118.2623 64.5958 37.3413 178.3698 244 S 4.0853 7.9422 115.9702 62.0682 62.6243 176.5391 245 M 4.2132 7.9462 120.9984 58.8413 31.7224 178.9025 246 I 3.7580 7.1927 119.5421 64.7062 37.1430 178.2885 247 D 4.2098 7.7404 117.7673 55.9878 40.6439 177.5730 248 K 4.1424 7.6703 118.7205 56.8560 33.8145 177.0097 249 F 5.1618 8.6129 116.6059 58.2492 39.4368 176.7025 250 V 4.3170 7.8589 119.0144 64.9333 32.5237 177.8319 251 K 3.9845 8.9221 123.4827 59.8871 31.4065 178.7790 252 P 4.2479 0.0000 0.0000 65.5954 31.4972 177.1337 253 F 4.9639 7.1946 114.0035 57.9683 38.7597 177.2464 254 K 4.3285 8.1361 123.8036 58.2891 31.9809 178.1981 255 K 4.2628 7.9685 118.1144 56.4098 32.2388 182.0883 256 Y 4.4756 7.9941 112.4763 58.8950 38.4158 175.7556 257 I 4.1319 7.6976 125.8972 61.3654 37.5089 175.3354 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 8.33 4.36 0.00 4.26 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 3 F 8.71 4.65 0.00 3.29 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 4 I 7.95 4.01 1.87 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 1.71 0.89 0.98 0.00 0.00 5 K 7.85 3.27 0.00 1.75 1.83 0.00 1.81 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.41 1.34 7.81 6 P 0.00 4.42 0.00 2.07 2.11 0.00 3.88 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 7 I 7.83 4.30 1.87 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 1.41 0.81 0.91 0.00 0.00 8 Y 7.92 4.31 0.00 2.71 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 Q 8.33 3.85 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.70 0.00 0.00 0.00 0.00 0.00 2.38 2.03 0.00 10 D 7.89 4.59 0.00 2.68 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 11 I 7.33 3.82 1.92 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 1.41 0.71 0.97 0.00 0.00 12 N 7.83 4.06 0.00 2.21 2.60 0.00 0.00 7.33 7.14 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 13 S 7.25 4.16 0.00 4.06 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 14 I 7.79 3.89 1.99 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 1.75 0.72 0.92 0.00 0.00 15 L 8.32 4.40 0.00 1.73 1.81 1.04 1.13 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 16 I 7.23 3.89 1.95 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 1.26 0.63 0.94 0.00 0.00 17 G 8.33 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 18 Q 9.04 4.26 0.00 2.16 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 6.62 0.00 0.00 0.00 0.00 0.00 2.41 2.64 0.00 19 K 8.60 5.22 0.00 1.51 1.55 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.25 1.00 7.81 20 V 8.61 4.39 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.18 0.00 0.00 0.37 0.00 0.00 21 K 8.87 3.89 0.00 1.77 1.72 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.73 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.02 7.81 *33 A 8.04 4.24 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 G 8.45 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 35 E 8.40 4.02 0.00 1.98 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 2.32 1.95 0.00 36 P 0.00 4.43 0.00 1.99 2.22 0.00 3.65 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.85 0.00 37 F 7.94 4.13 0.00 3.32 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 38 E 8.55 4.14 0.00 2.12 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 0.00 2.40 2.53 0.00 39 K 8.01 4.17 0.00 1.80 1.80 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.44 1.07 7.81 40 L 8.36 4.18 0.00 1.96 1.86 0.89 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.98 3.80 2.38 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 1.06 0.00 0.00 1.15 0.00 0.00 42 Y 8.33 4.22 0.00 3.15 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 43 K 8.64 3.84 0.00 1.79 1.81 0.00 1.85 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.38 1.33 7.81 *44 F 7.55 4.31 0.00 2.33 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 0.00 0.00 0.00 0.00 45 L 7.90 4.17 0.00 1.63 1.72 1.01 0.59 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 46 K 8.12 3.90 0.00 1.18 1.41 0.00 1.57 0.00 0.00 1.30 0.00 0.00 3.03 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.28 1.33 7.81 47 E 7.73 4.17 0.00 2.14 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 2.26 2.19 0.00 48 N 7.93 4.69 0.00 2.78 2.53 0.00 0.00 7.07 9.09 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 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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 0.00 0.00 58 E 7.49 3.51 0.00 1.95 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.22 0.00 59 Y 7.86 4.06 0.00 3.27 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 7.50 3.76 0.00 1.52 1.06 0.53 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 61 N 8.59 4.57 0.00 2.78 2.74 0.00 0.00 7.16 8.60 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 62 D 7.25 4.63 0.00 2.49 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 63 L 7.43 3.82 0.00 1.21 1.71 0.62 0.75 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 64 F 6.94 4.07 0.00 1.51 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 *73 H 8.29 4.33 0.00 3.06 3.21 0.00 5.87 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 E 7.88 3.77 0.00 2.20 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 2.12 1.86 0.00 75 A 7.45 4.13 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 76 R 7.92 3.41 0.00 1.83 2.15 0.00 2.89 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.74 0.00 77 Y 8.16 4.75 0.00 3.03 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 78 K 7.90 4.16 0.00 1.87 1.72 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.35 7.81 79 L 7.35 4.42 0.00 1.13 1.38 0.23 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 80 F 7.44 4.39 0.00 3.05 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 81 N 8.57 4.71 0.00 2.71 2.86 0.00 0.00 6.98 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 S 7.84 4.36 0.00 3.88 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 P 0.00 4.20 0.00 2.12 2.04 0.00 3.62 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.17 0.00 84 T 7.88 3.74 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 1.17 0.00 0.00 85 L 7.68 3.51 0.00 1.44 1.36 0.11 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 86 L 7.96 3.09 0.00 1.67 1.71 0.50 0.70 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 87 F 8.38 4.05 0.00 2.76 3.15 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 88 L 7.52 3.70 0.00 1.24 1.33 0.29 0.49 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 89 L 7.05 4.39 0.00 1.12 1.42 0.67 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 90 S 7.75 3.89 0.00 3.24 3.50 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 0.00 0.00 0.00 0.00 91 R 8.03 4.56 0.00 1.93 2.07 0.00 3.47 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.16 0.00 92 G 8.67 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 93 K 9.04 4.90 0.00 1.79 1.73 0.00 1.67 0.00 0.00 2.37 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 0.97 7.81 94 A 7.93 4.58 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 A 8.09 4.20 1.52 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 0.00 0.00 96 T 8.45 4.68 4.77 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 1.85 0.00 0.00 97 E 8.04 4.40 0.00 2.09 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 2.19 1.96 0.00 98 N 7.65 5.22 0.00 2.70 2.79 0.00 0.00 6.88 7.55 0.00 0.00 0.00 0.00 0.00 0.00 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2.34 0.00 110 N 7.85 4.92 0.00 2.81 2.83 0.00 0.00 6.07 8.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 D 7.61 4.35 0.00 2.64 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 T 8.68 3.90 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 1.08 0.00 0.00 113 A 7.32 4.80 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 0.00 114 D 8.77 4.61 0.00 2.74 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 0.00 115 I 8.18 4.78 1.96 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.96 1.06 0.00 0.00 116 L 9.49 5.16 0.00 1.73 1.69 0.96 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 117 L 9.30 5.92 0.00 2.00 1.76 1.00 0.89 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 0.00 118 V 8.00 5.43 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 0.41 0.00 0.00 0.09 0.00 0.00 119 K 8.23 4.20 0.00 1.66 1.71 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.80 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.34 0.97 7.81 *121 Q 7.72 4.40 0.00 2.11 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 122 F 8.07 5.21 0.00 3.08 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 0.00 123 Y 8.10 4.90 0.00 2.75 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 E 9.40 4.83 0.00 1.88 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.26 0.00 125 L 8.91 4.63 0.00 1.72 1.52 0.90 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 126 L 8.79 4.56 0.00 1.81 1.71 1.12 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 127 D 8.35 5.21 0.00 2.59 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 0.00 0.00 0.00 0.00 128 V 8.61 4.47 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 0.97 0.00 0.00 1.04 0.00 0.00 129 K 9.20 4.92 0.00 1.73 1.66 0.00 1.63 0.00 0.00 1.74 0.00 0.00 3.13 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.47 1.48 7.81 130 T 8.73 5.23 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 1.35 0.00 0.00 131 R 8.80 4.56 0.00 1.90 1.72 0.00 2.97 0.00 0.00 3.07 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.38 0.00 132 N 8.30 3.52 0.00 2.18 2.39 0.00 0.00 7.25 7.94 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 0.00 133 I 7.56 3.50 1.71 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.08 0.78 0.00 0.00 134 S 7.42 4.18 0.00 3.66 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 K 7.41 4.26 0.00 1.84 1.66 0.00 1.63 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.31 1.30 7.81 136 S 8.77 4.08 0.00 3.86 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 0.00 137 A 8.01 4.77 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 0.00 138 Q 8.38 4.10 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.87 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 139 A 8.15 3.81 1.09 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 0.00 140 P 0.00 4.49 0.00 2.05 2.17 0.00 3.56 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 1.88 1.94 0.00 141 N 8.43 4.14 0.00 2.58 2.98 0.00 0.00 6.89 7.45 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 0.00 142 I 8.66 3.77 1.45 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 -0.36 -0.34 0.00 0.00 143 I 6.93 4.57 1.90 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 1.35 0.58 1.02 0.00 0.00 144 S 8.62 4.57 0.00 3.94 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 0.00 145 A 9.52 4.55 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 0.00 146 Y 8.35 4.29 0.00 3.34 3.18 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 0.00 147 K 8.11 3.97 0.00 1.89 1.97 0.00 1.61 0.00 0.00 1.35 0.00 0.00 2.67 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.40 7.81 148 L 8.19 3.91 0.00 1.93 1.70 0.87 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 149 A 8.04 4.13 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 Q 7.78 3.64 0.00 1.91 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.74 0.00 0.00 0.00 0.00 0.00 1.81 1.86 0.00 151 T 8.25 3.93 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 1.38 0.00 0.00 152 C 8.12 4.27 0.00 3.29 3.15 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 0.00 153 A 8.07 4.05 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 0.00 154 K 7.94 3.83 0.00 1.79 1.84 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.36 7.81 155 M 7.90 4.18 0.00 2.03 2.44 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.82 0.00 156 I 7.72 3.85 1.87 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 1.52 0.62 0.91 0.00 0.00 157 D 8.03 4.72 0.00 2.73 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 0.00 158 N 7.83 4.60 0.00 2.75 2.83 0.00 0.00 7.10 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 0.00 159 K 7.47 3.11 0.00 1.90 1.71 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.28 1.01 7.81 160 E 7.31 4.66 0.00 2.06 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 0.00 2.22 2.11 0.00 161 F 7.50 4.57 0.00 3.06 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 0.00 162 D 7.26 4.51 0.00 2.60 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 L 8.16 4.87 0.00 1.85 1.71 1.14 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 164 F 7.36 4.82 0.00 2.84 2.74 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 0.00 165 D 9.15 4.88 0.00 2.63 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 I 8.50 4.59 1.43 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 1.40 1.60 0.67 0.00 0.00 167 N 8.22 5.20 0.00 2.56 2.42 0.00 0.00 6.55 7.36 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 0.00 168 Y 8.66 4.98 0.00 2.84 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 0.00 169 L 8.65 5.27 0.00 1.93 1.67 1.20 1.15 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 0.00 170 E 9.22 4.72 0.00 2.19 1.88 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 2.34 2.31 0.00 171 V 9.12 4.57 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 1.04 0.00 0.00 172 D 9.00 5.12 0.00 2.68 2.46 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 0.00 173 W 8.88 5.32 0.00 3.49 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 0.00 174 E 9.72 4.53 0.00 1.92 1.81 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 2.20 2.16 0.00 175 L 8.73 4.76 0.00 1.97 1.70 1.09 1.01 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 0.00 176 N 8.97 4.93 0.00 2.80 2.70 0.00 0.00 6.69 8.09 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 0.00 177 G 9.71 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 0.00 0.00 0.00 178 E 9.35 4.78 0.00 1.91 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.39 0.00 179 D 8.35 5.17 0.00 2.72 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 L 9.60 4.82 0.00 1.59 1.88 0.91 -0.32 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 0.00 181 V 8.88 5.29 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 1.21 0.00 0.00 1.13 0.00 0.00 182 C 8.79 5.01 0.00 3.29 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 V 8.35 4.61 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 0.79 0.00 0.00 0.90 0.00 0.00 184 S 7.73 4.71 0.00 3.87 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 0.00 185 T 8.41 5.33 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 186 S 9.34 4.99 0.00 3.79 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 0.00 187 F 8.52 5.26 0.00 2.07 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 0.00 0.00 0.00 0.00 188 A 8.32 4.56 1.11 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 0.00 189 E 9.25 4.66 0.00 1.77 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 1.99 1.88 0.00 190 L 8.54 3.83 0.00 1.84 1.27 1.11 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 191 F 7.21 2.63 0.00 2.71 2.35 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 0.00 192 K 8.40 4.67 0.00 2.02 1.87 0.00 1.78 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.38 7.81 193 S 7.55 4.97 0.00 4.04 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 0.00 194 E 9.07 4.23 0.00 1.91 1.92 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 2.22 2.11 0.00 195 P 0.00 3.84 0.00 1.49 0.49 0.00 3.07 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.69 0.00 196 S 7.58 3.82 0.00 3.87 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 0.00 197 E 8.57 4.10 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.38 0.00 198 L 6.75 3.74 0.00 1.99 1.77 1.15 0.89 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 0.00 199 Y 8.81 4.57 0.00 3.07 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 0.00 200 I 7.30 4.23 0.98 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.45 -0.52 0.00 0.00 201 N 8.72 4.34 0.00 2.95 2.67 0.00 0.00 6.75 7.99 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 0.00 202 W 8.36 4.18 0.00 3.45 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 203 A 8.26 3.98 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 204 A 8.13 4.24 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 205 A 7.76 3.67 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 206 M 8.00 3.18 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.79 0.00 207 Q 7.42 5.03 0.00 1.94 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 7.01 0.00 0.00 0.00 0.00 0.00 2.49 2.50 0.00 208 I 8.88 4.46 1.85 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 1.43 0.98 1.14 0.00 0.00 209 Q 8.71 4.96 0.00 2.03 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.25 0.00 210 F 7.82 4.66 0.00 2.82 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 0.00 211 H 8.57 4.68 0.00 3.29 3.28 0.00 5.66 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 212 V 9.08 3.68 2.38 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 1.02 0.00 0.00 1.01 0.00 0.00 213 R 8.06 4.05 0.00 1.88 1.86 0.00 3.26 0.00 0.00 3.08 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.46 0.00 214 D 8.39 4.82 0.00 2.64 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 215 L 7.68 3.86 0.00 1.08 1.44 0.08 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 216 D 8.28 4.69 0.00 2.87 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 217 Q 8.39 4.57 0.00 2.02 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.46 0.00 0.00 0.00 0.00 0.00 2.38 2.27 0.00 218 G 8.18 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 219 F 8.37 4.55 0.00 3.30 3.28 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 0.00 220 N 8.52 4.28 0.00 2.54 2.53 0.00 0.00 7.09 7.98 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 0.00 221 G 7.28 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 0.00 0.00 0.00 222 T 7.42 4.38 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 1.16 0.00 0.00 223 R 8.60 3.96 0.00 1.79 1.99 0.00 2.21 0.00 0.00 2.66 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.50 0.00 224 E 7.73 3.15 0.00 2.02 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 2.31 1.94 0.00 225 E 7.80 4.26 0.00 1.91 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 0.00 2.25 2.21 0.00 226 W 8.54 4.11 0.00 3.43 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 227 A 8.51 4.32 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 228 K 8.27 3.89 0.00 1.99 1.97 0.00 1.76 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.82 1.67 7.81 229 S 7.93 4.07 0.00 3.99 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 0.00 230 Y 8.21 3.87 0.00 2.91 3.19 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 0.00 231 L 8.14 4.04 0.00 1.84 1.80 1.06 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 232 K 7.81 3.92 0.00 2.00 2.00 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.61 7.81 233 H 8.14 4.22 0.00 3.16 3.22 0.00 5.84 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 234 F 8.57 3.73 0.00 2.45 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 235 V 8.20 3.77 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 1.07 0.00 0.00 1.14 0.00 0.00 236 T 7.61 3.85 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 1.22 0.00 0.00 237 Q 7.99 4.06 0.00 2.15 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.29 0.00 238 A 7.87 2.91 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 0.00 239 E 8.33 3.84 0.00 2.11 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 2.29 2.58 0.00 240 Q 8.07 3.97 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.80 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 241 R 7.97 3.86 0.00 0.92 1.17 0.00 3.03 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.20 0.00 242 A 7.57 3.90 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 0.00 243 I 7.28 3.67 1.98 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 1.48 0.88 0.88 0.00 0.00 244 S 7.94 4.09 0.00 3.95 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 0.00 245 M 7.95 4.21 0.00 2.26 2.19 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.88 0.00 246 I 7.19 3.76 1.97 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 1.54 1.01 0.92 0.00 0.00 247 D 7.74 4.21 0.00 2.65 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 0.00 248 K 7.67 4.14 0.00 1.40 1.11 0.00 1.55 0.00 0.00 1.25 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.43 1.10 7.81 249 F 8.61 5.16 0.00 3.21 3.12 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 0.00 250 V 7.86 4.32 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 1.03 0.00 0.00 251 K 8.92 3.98 0.00 1.76 1.83 0.00 1.89 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.38 1.38 7.81 252 P 0.00 4.25 0.00 1.03 1.60 0.00 3.59 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.00 0.00 253 F 7.19 4.96 0.00 3.45 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 0.00 254 K 8.14 4.33 0.00 2.01 1.98 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.43 7.81 255 K 7.97 4.26 0.00 1.81 1.70 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.31 1.02 7.81 256 Y 7.99 4.48 0.00 3.03 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 257 I 7.70 4.13 1.94 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.91 0.95 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.