NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.3219 8.4449 116.7566 55.5893 31.5249 174.6081 4 L 4.7336 8.3335 122.1115 50.9155 43.8964 173.6698 5 I 5.7789 8.7322 118.1775 58.2986 41.0425 173.8043 6 L 5.0838 8.8202 127.3976 53.8368 44.4897 174.2236 7 H 5.5409 9.0537 123.8636 54.7847 30.9422 173.9030 8 H 5.0582 8.9014 117.9964 55.3796 32.8147 171.4530 9 Y 4.7329 8.5386 115.7995 55.9062 38.9302 175.5879 10 P 4.4134 0.0000 0.0000 65.5946 31.7890 178.3539 11 T 4.1113 8.0110 107.4163 64.1051 69.1923 174.9632 12 S 4.4120 8.0987 117.9298 57.9878 62.9572 174.9431 13 L 4.5281 8.9171 127.4773 57.9823 41.7113 179.3875 14 F 4.3886 8.4431 116.5939 60.0263 39.2084 175.8399 15 A 4.5222 8.0895 122.2828 52.1950 19.1543 178.5072 16 E 3.6987 8.0234 118.8489 58.9268 29.2056 178.8383 17 K 3.5812 7.3912 118.2938 59.2945 32.4088 178.2012 18 A 3.8511 7.5923 119.3042 54.9546 18.0334 179.3959 19 R 3.5818 7.3797 116.0637 58.8885 30.4745 180.7192 20 L 4.0408 7.7567 121.1611 54.1675 40.8830 179.3267 *22 L 4.1581 7.9904 120.1290 54.7891 43.7235 179.9756 23 G 3.8813 7.9524 106.3861 48.0570 0.0000 175.2863 24 F 4.4782 7.9818 121.1858 60.9814 39.2524 176.4406 25 K 3.6573 8.0379 118.7188 57.0249 32.1342 178.4371 26 G 4.1243 8.2671 106.9697 44.7610 0.0000 173.9250 27 V 4.0804 7.1706 120.2490 61.2947 33.4475 174.3158 28 N 5.5646 8.6789 118.0472 51.3255 40.3457 174.5468 29 W 5.4697 8.8077 119.7890 54.9126 32.6619 173.8873 30 R 4.9336 9.8569 120.5038 54.4781 32.7712 174.9164 31 S 5.3099 8.8938 118.9273 56.7842 64.6265 172.6851 32 V 4.5781 8.8777 128.4451 61.3402 32.9555 175.0228 33 T 4.3913 8.5201 125.2835 63.7001 69.1816 173.9863 34 I 4.3099 7.8679 127.0227 58.8331 38.4810 174.2402 35 P 4.4007 0.0000 0.0000 62.4792 31.8600 176.7531 36 S 4.5496 8.7869 116.7100 61.3829 64.3118 175.9281 37 I 4.3560 7.0741 117.1842 59.4524 36.4564 176.7327 *39 P 4.1943 0.0000 0.0000 62.3472 32.5608 176.4285 40 K 4.7414 8.1297 121.0685 54.3305 32.8671 175.8846 41 P 4.3575 0.0000 0.0000 65.7753 31.5024 178.0534 42 D 4.3495 7.9812 117.9777 57.1725 41.0706 177.9424 43 L 4.1526 7.8075 120.2984 58.5686 42.2610 178.9502 44 T 4.0514 7.8760 114.5632 65.8470 68.0586 176.7235 45 A 3.9690 7.6069 122.3182 54.9781 18.4774 179.4144 46 L 4.0566 7.7354 115.7509 58.4615 41.9829 179.4634 47 T 4.0568 7.6751 114.3736 64.7710 68.4156 175.9562 48 G 3.8827 8.1640 107.3431 45.2795 0.0000 172.7215 49 G 3.3812 7.9337 108.0333 44.9493 0.0000 173.4745 50 Y 4.5666 7.8277 122.7034 56.2762 39.1793 175.1393 51 R 3.9365 8.3446 127.0730 59.0147 30.4649 177.7120 52 K 3.9951 6.6049 117.6583 56.4331 32.7199 175.6425 53 T 4.8339 8.0662 114.1532 59.0273 71.8718 171.6862 54 P 4.8605 0.0000 0.0000 62.5769 32.6056 175.8543 55 V 4.5195 8.4838 120.7525 61.0715 35.0617 173.8252 56 L 5.1418 8.5931 128.8187 53.2965 44.7305 174.5808 57 Q 5.0345 9.2889 127.1908 54.3311 32.3025 173.9073 58 I 4.5911 8.6705 126.8683 59.0982 40.3215 176.3737 59 G 3.7659 9.0327 117.5989 47.0788 0.0000 173.4204 60 A 4.5063 8.7054 127.7046 51.4306 19.2368 175.7264 61 D 5.2196 8.6582 119.1176 53.2357 43.3039 175.3642 62 I 4.6106 8.0800 124.7383 59.6485 39.8184 174.1871 63 Y 4.5409 9.2014 125.2129 56.4205 40.0013 174.3994 64 C 4.6590 8.1430 123.0380 59.2402 29.5069 173.5959 65 D 4.8648 9.0305 122.3613 54.8374 41.4021 175.7565 66 T 3.8726 8.4331 115.9823 64.4546 69.0385 175.5800 67 A 4.0432 8.2969 125.4958 55.1621 18.6293 181.1665 68 L 3.8473 7.6237 116.9081 54.8547 41.5518 178.8336 *70 A 4.0268 8.1840 121.3668 51.7872 20.6279 180.1174 71 R 4.0775 7.6280 114.3203 59.4225 30.0363 179.2836 72 R 3.7433 8.0281 118.5577 59.2117 29.9504 178.5792 73 L 3.9474 7.7533 118.4952 57.6339 41.5327 178.8515 74 E 4.0163 8.2537 119.3809 59.2894 29.3767 178.6714 75 Q 4.0235 7.8549 118.6662 59.0390 29.1834 177.6419 76 E 4.1875 8.0062 119.1977 57.4701 29.8937 176.5467 77 K 4.3824 7.5962 120.3519 54.0656 34.0747 175.6396 78 A 4.2786 8.7206 129.5922 53.7394 18.6739 177.1353 79 S 4.7509 7.5138 108.3939 55.2382 65.3885 171.7603 80 P 4.2140 0.0000 0.0000 62.3541 31.7054 175.8997 81 A 4.5128 8.1988 123.6741 51.8776 19.4319 177.9083 82 F 4.2074 9.1240 121.5359 59.8458 39.0753 174.5750 83 Y 4.8737 7.7762 118.4354 55.2053 38.5396 173.6474 84 P 4.3936 0.0000 0.0000 62.7470 32.1950 177.0288 85 Q 4.2769 8.4724 120.5683 56.3093 28.4993 176.7366 86 G 4.0799 9.8993 111.6471 44.9733 0.0000 173.6511 87 Q 4.6615 7.8705 116.5944 55.1160 30.3258 177.3227 88 E 3.9818 8.4329 120.4671 59.5571 29.4848 178.8893 89 F 4.0901 8.2280 119.8978 61.2782 39.5896 176.8576 90 A 3.9900 8.1055 119.9978 55.0992 18.3532 179.6399 91 V 3.0958 7.5541 116.5805 65.8452 31.4727 178.1615 92 A 4.1774 8.0258 120.7601 55.0405 18.1196 179.8943 93 G 3.3351 7.8703 104.2177 47.8085 0.0000 175.7139 94 L 4.0316 7.9596 122.9636 57.7341 42.1051 178.9055 95 A 4.0473 8.0427 120.0888 55.1951 18.2217 179.4899 96 A 3.9526 8.3291 119.5340 54.9071 18.3888 179.7135 97 W 4.0237 8.5859 127.0340 60.5179 30.8078 178.1403 98 A 3.4486 8.5812 121.0957 55.2193 17.6717 179.4088 99 D 4.2131 8.1442 116.1195 57.0721 41.0266 177.1256 100 S 4.4680 7.5608 114.3171 59.9393 63.9352 176.5250 101 V 3.3626 7.7437 120.9308 64.9349 31.8153 178.4865 102 L 3.5010 6.6945 119.4842 57.7966 41.9334 178.4652 103 F 4.0289 8.1959 120.7056 61.2150 39.4760 176.8589 104 L 3.7693 7.7584 119.5720 58.3298 41.8262 178.6422 105 H 4.0002 8.0822 115.6660 58.7174 28.8030 177.6459 106 A 3.4719 7.5112 122.0337 55.1085 18.1639 180.1749 107 V 2.8903 6.9716 110.8332 64.0826 31.3685 178.7926 108 S 3.9938 7.6149 112.7275 61.2620 61.9842 176.2004 109 L 3.7712 7.3966 120.6605 57.5803 41.3000 179.5255 110 V 3.7119 7.1226 116.6638 66.2534 31.6884 178.0270 111 F 4.8240 8.3823 116.4468 59.2244 40.5061 175.6322 112 Q 4.7754 8.3939 119.3244 53.9721 28.5493 173.8265 113 P 4.4790 0.0000 0.0000 64.5660 32.1830 177.7442 114 E 4.2248 8.0378 116.0924 57.0060 30.1170 177.1639 115 S 4.2620 7.5637 116.9218 58.3640 64.6170 173.4150 *150 E 4.0434 8.3725 114.8289 56.2172 30.9685 171.5144 151 Q 4.4578 8.3710 122.5476 53.7432 29.8236 177.0228 152 V 3.5990 8.2416 125.4512 66.0426 31.5524 177.9869 153 K 4.0157 7.9575 116.4854 59.6332 32.0068 178.3344 154 H 4.3448 8.1798 117.2385 59.4916 30.2836 176.9433 155 Q 3.9234 8.1975 119.8503 58.4359 28.3688 178.3232 156 W 4.2657 8.1478 129.4719 59.9459 30.5166 176.2662 157 P 4.2676 0.0000 0.0000 65.9860 30.8493 178.2778 158 T 3.9137 7.4859 115.4623 66.3419 68.2502 176.8626 159 F 4.4699 6.8321 115.8247 58.5010 38.5342 177.0576 *161 S 4.4565 8.0879 118.1374 58.4647 65.0401 176.2450 162 R 3.8321 7.6329 120.1883 58.7930 29.6294 178.7539 163 L 3.7484 7.7428 120.1999 57.9863 41.9371 178.5954 164 E 3.9005 7.9751 118.7709 59.4091 29.4103 178.8285 165 S 4.1925 7.7530 114.1440 61.5965 63.0616 176.1145 166 Q 4.0569 7.8576 121.8113 59.2173 28.8331 178.3265 167 L 4.0112 8.1109 120.0357 57.1311 41.4092 178.9838 168 S 4.3486 7.7078 112.8884 60.2838 62.9468 174.3223 169 H 4.5247 7.7078 119.3523 55.5265 28.6074 175.7250 170 G 3.8949 8.3219 107.4300 45.7529 0.0000 174.4856 171 G 3.7285 7.8458 107.9390 45.2614 0.0000 174.1600 172 D 4.2352 8.7809 123.6530 56.6503 41.2620 176.3754 173 F 5.4377 7.6543 115.1047 55.5204 43.3532 175.5348 174 L 3.9127 9.4105 121.9931 57.5214 41.3161 178.7906 175 F 4.6004 8.3226 114.7041 57.0471 39.1246 175.9594 176 G 4.1904 8.2437 113.7359 46.3637 0.0000 175.0344 177 A 4.4223 7.7394 123.1007 50.2077 19.3085 175.4272 178 P 4.1140 0.0000 0.0000 62.3779 32.1263 175.7295 179 S 4.7503 8.2687 113.8202 55.5432 66.2827 174.8763 180 I 3.7776 8.2323 119.8288 63.6878 37.4703 177.7963 181 A 4.0781 7.8850 121.6394 55.2647 18.2086 179.0421 182 D 4.6579 7.6955 117.5549 57.6433 40.8388 179.0778 183 F 4.2760 7.4137 117.7549 60.5719 38.5013 177.7346 184 S 4.1572 7.9711 114.8746 61.6375 62.2600 176.9845 185 V 3.5812 7.9864 120.5403 66.0634 31.3587 177.9421 186 A 4.2374 8.6249 120.7930 55.3734 18.2044 179.0841 187 H 4.3142 8.6394 117.1993 59.7360 29.8511 177.6417 188 T 4.0251 7.7636 111.3682 64.9434 68.4732 176.5186 189 L 4.2640 8.0673 121.4516 57.3057 41.2950 179.2627 190 W 4.2380 8.6864 128.5424 60.3803 30.4483 177.7913 191 F 3.7107 8.3436 119.4224 61.2046 38.6377 176.8029 192 L 4.1527 7.9083 118.7514 57.7012 41.2626 179.3027 193 K 4.1498 7.5655 116.1660 58.2719 32.1486 178.7660 194 Q 3.8697 7.2082 117.5476 56.3180 28.9822 175.9489 195 T 4.5584 6.9493 110.2659 58.4508 71.2798 173.3739 196 P 4.2437 0.0000 0.0000 65.6223 31.1243 179.2606 197 V 3.6150 7.7436 110.5045 63.9629 31.9138 177.5059 198 T 4.3968 7.6753 106.9203 62.0325 69.0919 176.5163 199 A 4.0486 7.5523 125.3357 55.0470 18.4184 177.9733 200 P 4.2461 0.0000 0.0000 65.2501 31.0810 178.8383 201 F 4.6078 7.5751 116.0414 60.6044 39.2609 177.5267 202 V 4.1247 8.1043 117.3552 66.4357 31.3937 177.7729 203 D 4.5436 8.6641 117.4922 57.3013 40.7160 178.0235 204 D 4.6520 8.1680 117.8455 54.9363 40.7964 175.7044 205 Y 4.6767 8.0440 117.5767 54.5865 38.8696 174.6280 206 P 4.3341 0.0000 0.0000 66.2035 31.6120 178.6675 207 S 4.2391 8.9239 115.6117 60.8395 62.6302 176.8772 208 V 3.9166 7.7341 121.0023 66.0948 31.2991 178.2651 209 S 4.2932 8.1045 114.6714 61.4779 62.5202 176.7880 210 V 3.6298 7.8728 120.5107 65.8593 31.4447 177.7456 211 W 4.1214 7.9927 126.7500 60.3188 30.5454 177.6589 212 L 3.3079 8.2051 120.4112 58.0277 41.5078 178.7167 213 D 4.4589 8.1335 120.8837 57.9874 40.5127 179.5811 214 R 3.9565 7.4521 120.2105 61.3707 29.5294 180.8242 215 V 4.2281 7.3801 118.5921 65.9441 31.6596 177.9897 216 L 4.3705 8.1628 117.9216 56.7081 41.2379 179.3894 217 G 3.6684 7.7356 105.2042 47.5921 0.0000 175.5118 218 F 4.2465 8.2428 119.1255 59.6581 39.3909 176.7871 219 G 3.9603 8.4177 107.5933 45.5734 0.0000 174.2244 220 H 5.2566 8.3356 118.5420 54.2541 29.9626 176.7771 221 G 3.8954 8.1873 107.7271 46.8761 0.0000 174.6011 222 S 4.7604 8.7891 118.6178 56.4627 66.2414 173.2586 223 L 5.2612 8.4217 123.7509 52.5883 43.5336 175.7867 224 S 4.5985 7.7392 113.0800 56.2808 66.3853 172.9967 225 D 4.8748 8.6026 121.8002 54.7063 42.0148 174.8750 226 L 4.6376 8.1408 123.7254 53.5803 45.7387 175.5072 227 S 4.2838 8.6942 120.0287 57.8920 63.2259 174.7839 228 S 4.0773 8.6940 120.0588 61.5486 62.0367 176.1656 229 A 4.1121 9.2617 124.2782 55.0874 18.2083 179.4585 230 A 3.9955 7.8810 118.5996 55.2545 18.5216 179.5311 231 A 3.9863 7.9209 118.9250 55.3758 18.4459 179.9297 232 I 3.7107 7.4834 117.0530 64.5436 37.0502 178.4945 233 E 4.0067 8.0651 119.3641 59.4820 29.1872 179.4515 234 I 3.5638 7.7773 119.1800 64.0487 36.9230 178.2392 235 A 3.9494 7.5438 120.7556 55.2458 18.4043 179.5149 236 S 4.9453 7.9342 115.1404 61.8034 63.0729 176.7460 237 N 4.4831 8.6695 122.4679 56.2500 37.6242 177.4041 238 A 4.7850 7.5888 122.0909 51.3078 20.0185 176.7769 239 T 4.6585 8.0553 108.4989 59.0726 71.3800 172.5734 240 P 4.4779 0.0000 0.0000 62.3351 32.1665 176.1410 241 A 4.2590 8.7910 126.1728 50.9600 19.0944 175.8102 242 P 4.4590 0.0000 0.0000 62.2674 32.0462 176.6824 243 L 3.9559 8.2117 120.7554 54.0217 42.1920 175.5209 244 P 4.2921 0.0000 0.0000 62.4437 31.9717 175.6879 245 D 4.9478 8.4501 119.3050 51.6304 40.4511 174.8739 246 E 4.8243 8.7436 120.9853 54.6501 32.8301 174.4189 247 T 4.6279 8.4438 109.9707 59.8739 70.6131 173.7094 248 F 4.6831 8.5029 126.6345 56.3098 42.2050 174.3243 249 I 3.9726 7.4368 128.8041 59.4356 36.3904 174.7178 250 D 4.5930 8.3079 125.6562 53.5535 41.6511 175.7561 251 P 4.2983 0.0000 0.0000 64.9133 31.5714 176.8429 252 N 4.7513 8.2706 114.1008 52.2094 39.2037 175.0708 253 G 3.8020 7.8339 104.8481 46.9954 0.0000 174.5932 254 F 4.8184 7.9422 115.1242 55.2607 41.9238 175.8771 255 K 4.6870 8.5445 122.8202 54.3755 35.7604 175.4507 256 A 4.3463 8.3967 122.8275 53.9965 18.6638 178.3885 257 G 4.0048 9.0192 110.4393 45.1540 0.0000 173.7357 258 D 4.6855 7.9607 121.8476 54.7010 42.7232 176.0495 259 K 5.0150 8.5598 124.3327 54.1141 33.5063 176.8243 260 V 5.5081 8.9529 117.6405 57.4742 36.6949 174.2795 261 A 5.0294 8.4739 123.6585 50.3086 21.8366 175.2852 262 I 4.6354 8.5450 123.4680 59.3726 39.5804 174.7074 263 A 5.1815 8.5916 128.3833 49.5459 22.4205 174.9810 264 A 3.8380 8.6784 123.1219 51.9954 19.1302 178.5485 265 V 3.4379 8.4271 124.2024 66.5419 31.4816 177.5314 266 D 4.4163 8.3160 120.8425 57.8756 40.8095 177.9909 *267 Y 4.6346 7.5597 114.2535 56.0571 38.1027 177.5982 268 G 3.8864 7.7169 109.6971 46.8413 0.0000 174.5838 269 V 3.9745 8.2598 113.9393 61.9433 33.6512 176.0511 *271 A 4.3183 7.5849 118.8922 51.6970 20.0646 176.4245 272 V 4.3374 8.2253 121.3102 61.6118 33.7573 175.7843 273 E 4.5673 9.0605 126.2018 56.2865 30.9759 173.4015 274 G 4.0127 7.2774 107.8952 47.6159 0.0000 171.1983 275 E 5.3242 7.9941 117.2401 54.3927 33.1752 171.9456 276 L 4.8031 8.4996 126.5243 53.3739 44.0935 175.1797 *278 F 4.6946 8.3481 122.7899 58.1999 40.9039 173.4272 279 T 4.4218 7.5627 118.7506 59.9883 69.4416 172.9355 280 G 3.8735 7.7969 115.9630 43.6148 0.0000 172.6218 281 R 3.6330 8.9643 118.3320 58.7494 29.9704 178.3071 282 E 4.4573 7.9746 114.9247 56.4205 31.1500 174.7917 283 E 4.9832 7.6679 118.6413 54.5717 33.8483 173.6263 284 L 5.3880 9.2420 123.2186 53.0675 45.8463 175.5923 285 I 5.0248 8.8249 122.2790 59.4082 40.9310 174.1654 286 L 5.0027 8.9556 128.1898 53.3095 45.3869 174.9914 287 R 5.4319 8.6349 124.3437 54.5567 32.9294 175.2981 288 R 5.0124 9.0037 121.0924 55.2969 33.6858 174.1754 289 E 5.0110 8.7646 118.2065 55.0075 31.5109 175.7395 290 D 4.9449 10.2527 124.7429 51.1785 43.6104 176.4017 291 N 4.3883 8.9819 124.2720 56.7094 38.9287 176.7507 292 R 3.9835 8.1444 115.0941 58.8520 30.4336 177.4854 293 A 4.4652 9.7841 119.7229 51.0693 20.7960 178.0742 294 G 3.7214 9.7259 105.0926 46.5983 0.0000 175.8633 295 V 4.7266 8.4423 125.7139 61.2335 32.4811 174.1084 296 V 4.6613 8.5437 119.9302 60.0585 36.8227 173.7920 297 H 5.5368 8.7672 118.9063 54.3069 31.3056 173.5407 298 V 4.3423 9.2058 124.4366 61.3389 33.9593 173.8362 299 H 5.0603 8.3805 125.1728 54.0347 30.9342 173.6153 300 F 4.8845 8.6252 121.9394 54.5140 42.2494 173.5966 301 P 5.0500 0.0000 0.0000 61.9255 32.5382 176.7924 302 R 4.0696 8.5947 118.6683 59.2770 30.2709 177.5940 303 L 4.0299 7.7767 117.2673 55.9561 42.2142 177.4845 304 G 3.8354 9.1789 110.9572 45.1485 0.0000 172.2651 305 F 5.1238 7.5938 116.4132 55.4208 42.1995 174.4535 306 R 4.6173 9.2361 123.6259 54.6220 32.3148 174.7713 307 V 4.8148 8.3639 127.1889 61.8054 34.0309 174.9265 308 E 4.9833 8.8521 125.7931 55.4213 34.7174 175.5704 309 K 4.7408 8.6463 119.4828 54.5232 32.0929 177.6618 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 3 E 8.44 4.32 0.00 2.01 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 2.13 1.91 0.00 4 L 8.33 4.73 0.00 1.79 1.74 0.91 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 5 I 8.73 5.78 2.04 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 1.37 1.93 0.97 0.00 0.00 6 L 8.82 5.08 0.00 1.62 1.63 0.82 0.45 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 7 H 9.05 5.54 0.00 3.13 3.20 0.00 5.72 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 8 H 8.90 5.06 0.00 3.27 3.39 0.00 5.22 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 Y 8.54 4.73 0.00 3.07 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 10 P 0.00 4.41 0.00 2.10 2.20 0.00 3.67 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.96 0.00 11 T 8.01 4.11 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 1.30 0.00 0.00 12 S 8.10 4.41 0.00 4.06 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 13 L 8.92 4.53 0.00 1.75 1.90 0.17 1.20 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 14 F 8.44 4.39 0.00 3.16 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 15 A 8.09 4.52 1.44 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 0.00 0.00 16 E 8.02 3.70 0.00 1.48 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 1.47 1.65 0.00 17 K 7.39 3.58 0.00 1.17 1.53 0.00 1.62 0.00 0.00 1.51 0.00 0.00 2.94 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.22 1.37 7.81 18 A 7.59 3.85 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 19 R 7.38 3.58 0.00 1.83 1.40 0.00 3.31 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.34 0.00 20 L 7.76 4.04 0.00 1.29 1.42 0.76 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 *22 L 7.99 4.16 0.00 1.35 1.46 -0.68 0.46 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 23 G 7.95 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 F 7.98 4.48 0.00 2.59 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 25 K 8.04 3.66 0.00 1.76 1.71 0.00 1.58 0.00 0.00 1.48 0.00 0.00 2.86 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.30 1.34 7.81 26 G 8.27 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 0.00 0.00 0.00 27 V 7.17 4.08 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 0.84 0.00 0.00 0.97 0.00 0.00 28 N 8.68 5.56 0.00 2.63 2.74 0.00 0.00 6.63 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 29 W 8.81 5.47 0.00 3.55 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 30 R 9.86 4.93 0.00 1.65 1.84 0.00 3.33 0.00 0.00 3.04 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00 31 S 8.89 5.31 0.00 4.04 3.62 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 32 V 8.88 4.58 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 0.80 0.00 0.00 0.87 0.00 0.00 33 T 8.52 4.39 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 1.16 0.00 0.00 34 I 7.87 4.31 1.05 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.38 0.39 0.00 0.00 35 P 0.00 4.40 0.00 2.19 2.05 0.00 3.68 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 36 S 8.79 4.55 0.00 4.07 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 37 I 7.07 4.36 1.89 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 1.43 0.49 0.93 0.00 0.00 *39 P 0.00 4.19 0.00 2.10 2.08 0.00 3.63 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.12 0.00 40 K 8.13 4.74 0.00 1.82 1.71 0.00 1.72 0.00 0.00 1.91 0.00 0.00 3.19 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.42 1.46 7.81 41 P 0.00 4.36 0.00 2.27 2.32 0.00 3.71 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.06 0.00 42 D 7.98 4.35 0.00 2.65 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 43 L 7.81 4.15 0.00 1.73 1.79 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 44 T 7.88 4.05 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 45 A 7.61 3.97 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 7.74 4.06 0.00 1.69 1.70 0.95 0.86 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 47 T 7.68 4.06 4.45 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 1.45 0.00 0.00 48 G 8.16 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 G 7.93 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 0.00 0.00 0.00 50 Y 7.83 4.57 0.00 3.07 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 51 R 8.34 3.94 0.00 1.63 1.88 0.00 3.54 0.00 0.00 3.13 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.48 0.00 52 K 6.60 4.00 0.00 1.31 1.65 0.00 1.77 0.00 0.00 1.86 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.36 7.81 53 T 8.07 4.83 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 54 P 0.00 4.86 0.00 1.92 2.09 0.00 3.64 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 1.99 2.15 0.00 55 V 8.48 4.52 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 1.09 0.00 0.00 56 L 8.59 5.14 0.00 1.76 1.50 0.90 0.44 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 57 Q 9.29 5.03 0.00 2.06 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.51 0.00 0.00 0.00 0.00 0.00 2.24 2.26 0.00 58 I 8.67 4.59 1.99 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.73 0.94 0.00 0.00 59 G 9.03 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 60 A 8.71 4.51 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 61 D 8.66 5.22 0.00 2.66 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 62 I 8.08 4.61 1.59 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.82 0.78 0.00 0.00 63 Y 9.20 4.54 0.00 2.73 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 64 C 8.14 4.66 0.00 2.12 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 D 9.03 4.86 0.00 3.02 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 66 T 8.43 3.87 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 1.16 0.00 0.00 67 A 8.30 4.04 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 68 L 7.62 3.85 0.00 1.79 1.73 1.01 1.01 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 *70 A 8.18 4.03 0.91 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 71 R 7.63 4.08 0.00 1.99 2.00 0.00 3.11 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.89 0.00 72 R 8.03 3.74 0.00 1.31 1.45 0.00 2.81 0.00 0.00 2.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 1.34 0.00 73 L 7.75 3.95 0.00 2.00 1.85 0.99 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 74 E 8.25 4.02 0.00 2.52 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.47 0.00 75 Q 7.85 4.02 0.00 2.20 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.73 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 76 E 8.01 4.19 0.00 2.03 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 2.29 2.33 0.00 77 K 7.60 4.38 0.00 1.67 1.59 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.16 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.27 1.27 7.81 78 A 8.72 4.28 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 79 S 7.51 4.75 0.00 3.73 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 4.21 0.00 1.88 1.82 0.00 3.38 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 1.30 0.00 81 A 8.20 4.51 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 82 F 9.12 4.21 0.00 2.76 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 Y 7.78 4.87 0.00 2.94 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 84 P 0.00 4.39 0.00 2.35 2.00 0.00 3.53 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.09 0.00 85 Q 8.47 4.28 0.00 2.07 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.82 0.00 0.00 0.00 0.00 0.00 2.28 1.93 0.00 86 G 9.90 4.08 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 0.00 0.00 0.00 87 Q 7.87 4.66 0.00 2.01 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 88 E 8.43 3.98 0.00 2.08 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 2.39 2.49 0.00 89 F 8.23 4.09 0.00 3.08 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 90 A 8.11 3.99 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 V 7.55 3.10 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 0.96 0.00 0.00 -0.14 0.00 0.00 92 A 8.03 4.18 1.29 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 93 G 7.87 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 0.00 0.00 0.00 94 L 7.96 4.03 0.00 2.05 1.89 0.75 1.28 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 95 A 8.04 4.05 1.46 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 0.00 0.00 96 A 8.33 3.95 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 97 W 8.59 4.02 0.00 3.42 3.46 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 98 A 8.58 3.45 1.44 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 0.00 0.00 99 D 8.14 4.21 0.00 2.66 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 0.00 100 S 7.56 4.47 0.00 3.95 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 0.00 101 V 7.74 3.36 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 0.00 0.00 0.65 0.00 0.00 0.81 0.00 0.00 102 L 6.69 3.50 0.00 0.81 1.53 0.34 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 103 F 8.20 4.03 0.00 3.15 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 0.00 104 L 7.76 3.77 0.00 1.84 1.81 0.85 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 105 H 8.08 4.00 0.00 3.48 3.47 0.00 5.67 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 A 7.51 3.47 1.06 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 0.00 107 V 6.97 2.89 1.38 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 -0.29 0.00 0.00 0.71 0.00 0.00 108 S 7.61 3.99 0.00 3.84 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 0.00 109 L 7.40 3.77 0.00 1.37 1.27 -0.89 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 110 V 7.12 3.71 1.85 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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 0.00 220 H 8.34 5.26 0.00 3.32 3.60 0.00 5.91 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 221 G 8.19 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 222 S 8.79 4.76 0.00 3.89 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 223 L 8.42 5.26 0.00 0.27 0.13 0.59 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 224 S 7.74 4.60 0.00 3.76 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 225 D 8.60 4.87 0.00 2.64 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 0.00 226 L 8.14 4.64 0.00 1.64 1.45 0.91 0.90 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 0.00 227 S 8.69 4.28 0.00 3.88 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 228 S 8.69 4.08 0.00 3.63 3.62 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 0.00 229 A 9.26 4.11 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 0.00 230 A 7.88 4.00 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 0.00 231 A 7.92 3.99 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 0.00 232 I 7.48 3.71 2.00 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 1.53 0.77 0.91 0.00 0.00 233 E 8.07 4.01 0.00 2.19 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 2.33 2.49 0.00 234 I 7.78 3.56 2.01 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 1.57 0.89 0.92 0.00 0.00 235 A 7.54 3.95 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 236 S 7.93 4.95 0.00 4.05 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 0.00 237 N 8.67 4.48 0.00 2.81 2.78 0.00 0.00 7.05 7.35 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 0.00 238 A 7.59 4.79 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 0.00 239 T 8.06 4.66 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 1.19 0.00 0.00 240 P 0.00 4.48 0.00 1.82 1.83 0.00 3.60 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.89 0.00 241 A 8.79 4.26 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 0.00 242 P 0.00 4.46 0.00 2.17 2.06 0.00 3.77 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 243 L 8.21 3.96 0.00 1.62 1.51 0.97 0.93 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 0.00 244 P 0.00 4.29 0.00 1.95 1.82 0.00 2.91 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 1.24 0.00 245 D 8.45 4.95 0.00 2.81 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 0.00 246 E 8.74 4.82 0.00 2.12 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 2.34 2.43 0.00 247 T 8.44 4.63 4.27 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 1.24 0.00 0.00 248 F 8.50 4.68 0.00 2.79 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 0.00 249 I 7.44 3.97 1.58 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 1.18 0.49 0.79 0.00 0.00 250 D 8.31 4.59 0.00 2.98 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 0.00 251 P 0.00 4.30 0.00 2.16 2.13 0.00 3.92 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.11 0.00 252 N 8.27 4.75 0.00 3.01 2.81 0.00 0.00 6.96 8.97 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 0.00 253 G 7.83 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 254 F 7.94 4.82 0.00 3.39 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 0.00 255 K 8.54 4.69 0.00 1.88 1.85 0.00 1.51 0.00 0.00 1.80 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.56 1.43 7.81 256 A 8.40 4.35 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 0.00 257 G 9.02 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 0.00 0.00 0.00 258 D 7.96 4.69 0.00 2.90 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 0.00 259 K 8.56 5.01 0.00 1.44 1.69 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.74 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.37 1.02 7.81 260 V 8.95 5.51 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 0.91 0.00 0.00 0.90 0.00 0.00 261 A 8.47 5.03 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 0.00 262 I 8.54 4.64 1.29 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 0.80 0.57 -0.23 0.00 0.00 263 A 8.59 5.18 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 0.00 264 A 8.68 3.84 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 0.00 265 V 8.43 3.44 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 0.72 0.00 0.00 0.87 0.00 0.00 266 D 8.32 4.42 0.00 2.64 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *267 Y 7.56 4.63 0.00 2.28 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 0.00 0.00 0.00 0.00 268 G 7.72 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 0.00 0.00 0.00 269 V 8.26 3.97 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.95 0.00 0.00 *271 A 7.58 4.32 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 272 V 8.23 4.34 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 1.16 0.00 0.00 1.14 0.00 0.00 273 E 9.06 4.57 0.00 1.80 1.72 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 2.23 1.89 0.00 274 G 7.28 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 0.00 275 E 7.99 5.32 0.00 1.64 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.08 0.00 276 L 8.50 4.80 0.00 1.91 1.60 0.94 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 *278 F 8.35 4.69 0.00 3.20 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 279 T 7.56 4.42 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 1.23 0.00 0.00 280 G 7.80 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 0.00 281 R 8.96 3.63 0.00 1.78 1.97 0.00 3.38 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.80 0.00 282 E 7.97 4.46 0.00 1.96 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.16 0.00 283 E 7.67 4.98 0.00 2.01 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 2.23 2.34 0.00 284 L 9.24 5.39 0.00 1.59 1.46 0.85 0.68 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 0.00 285 I 8.82 5.02 1.84 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 1.07 0.65 0.00 0.00 286 L 8.96 5.00 0.00 1.90 1.53 0.99 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 287 R 8.63 5.43 0.00 1.87 1.84 0.00 3.13 0.00 0.00 3.33 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.87 0.00 288 R 9.00 5.01 0.00 1.85 1.98 0.00 2.78 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 289 E 8.76 5.01 0.00 1.76 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 2.14 1.84 0.00 290 D 10.25 4.94 0.00 2.72 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 0.00 291 N 8.98 4.39 0.00 2.74 2.87 0.00 0.00 7.12 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 0.00 292 R 8.14 3.98 0.00 1.80 1.99 0.00 3.19 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 293 A 9.78 4.47 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 0.00 294 G 9.73 3.72 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 0.00 0.00 0.00 295 V 8.44 4.73 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 0.78 0.00 0.00 0.92 0.00 0.00 296 V 8.54 4.66 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 0.73 0.00 0.00 0.90 0.00 0.00 297 H 8.77 5.54 0.00 3.23 3.14 0.00 5.60 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 298 V 9.21 4.34 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 0.54 0.00 0.00 0.87 0.00 0.00 299 H 8.38 5.06 0.00 2.55 3.03 0.00 5.80 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 300 F 8.63 4.88 0.00 2.55 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 0.00 0.00 0.00 301 P 0.00 5.05 0.00 2.27 2.09 0.00 2.97 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.24 0.00 302 R 8.59 4.07 0.00 1.91 2.04 0.00 3.17 0.00 0.00 3.35 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 303 L 7.78 4.03 0.00 1.69 1.64 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 304 G 9.18 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 0.00 305 F 7.59 5.12 0.00 3.01 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 0.00 306 R 9.24 4.62 0.00 1.80 1.84 0.00 3.05 0.00 0.00 3.09 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 307 V 8.36 4.81 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 0.18 0.00 0.00 0.65 0.00 0.00 308 E 8.85 4.98 0.00 1.66 1.72 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 2.13 2.11 0.00 309 K 8.65 4.74 0.00 1.76 1.59 0.00 1.70 0.00 0.00 2.40 0.00 0.00 2.79 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.29 0.94 7.81 * Residues marked with a * may have inaccurate shift predictions.