NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 H 4.7388 8.3033 120.3945 56.3001 32.0605 175.2454 3 R 3.7617 8.0828 118.1921 58.4675 29.6641 176.3895 4 P 4.2943 0.0000 0.0000 65.5674 32.0100 177.6824 5 E 4.1087 8.1689 117.2350 59.2834 29.7125 178.2556 6 A 4.0957 8.3879 121.2630 55.6105 18.2919 179.4944 7 E 4.0854 8.7886 116.7745 59.0494 29.2268 179.5835 8 K 4.0295 7.9241 118.1302 58.8043 32.2754 178.4330 9 W 4.6539 8.4830 119.4923 56.0690 29.3943 175.6059 10 L 5.3325 7.4195 118.4617 52.7821 44.7442 176.1709 11 R 4.3175 9.0637 121.6877 54.4297 33.1777 175.0696 12 R 4.4500 8.2397 123.2608 54.4211 29.9918 175.9845 13 F 4.5374 8.3045 122.8688 59.4334 39.4427 175.8433 14 E 4.3873 7.7363 120.7177 54.5933 30.3454 174.3903 15 R 4.0128 8.5290 125.6780 56.4712 30.9255 177.5329 16 A 4.6352 8.2943 124.1403 49.2753 18.9976 174.4109 17 P 4.3421 0.0000 0.0000 64.6075 31.9256 177.2707 18 D 4.8736 7.8228 116.0866 53.6593 41.2589 176.1798 19 A 4.4541 7.9646 122.1938 51.8458 18.7525 179.1376 20 R 4.2986 8.6610 118.6172 58.4315 30.4722 176.5154 21 A 4.9207 7.8243 120.0258 50.6167 23.1283 174.9123 22 R 4.9405 8.7575 118.7786 54.3392 33.1569 175.2917 23 L 5.0505 8.8069 125.4010 53.1979 44.5801 175.4371 24 V 4.1729 8.9618 128.5101 62.7766 32.7398 174.3477 25 C 5.0334 8.8900 126.6166 57.9117 30.5033 172.8311 26 L 5.0018 8.9264 124.8031 52.3309 43.4502 174.7783 27 P 5.1163 0.0000 0.0000 62.2297 32.5475 175.9621 28 H 4.8009 8.9030 116.7256 54.4651 30.2268 174.4973 29 A 4.3577 8.1342 120.9646 53.4271 18.2801 178.3752 30 G 4.0014 9.3418 110.5485 45.3626 0.0000 173.3325 31 G 3.7936 7.9698 108.8406 43.5407 0.0000 173.3177 32 S 4.7265 8.6052 116.3904 55.4054 66.0368 174.7419 33 A 4.2747 9.4636 123.5049 55.5496 18.2388 180.1918 34 S 4.0392 7.9244 109.9601 61.0344 63.1014 176.2568 35 F 3.8935 8.0955 122.9251 60.9222 39.1350 176.0924 36 F 4.6918 8.5061 117.6390 57.1227 38.8060 177.2381 37 F 3.6608 7.7785 123.3667 60.9915 39.0373 175.4941 38 P 4.1091 0.0000 0.0000 65.3060 31.0453 178.3946 39 L 3.7551 7.6909 118.5267 57.8823 42.0524 178.4451 40 A 3.9094 8.0900 120.9106 55.3861 18.0676 179.8547 41 K 3.7700 7.3011 114.8724 59.4120 32.1182 179.2501 42 A 4.0354 7.7940 120.3726 54.5960 18.6081 178.9753 43 L 4.1815 8.0465 116.4477 55.1456 42.1467 177.1827 44 A 4.6052 7.1830 120.6354 50.8163 19.1065 175.7222 45 P 4.4415 0.0000 0.0000 63.8626 32.3326 178.1899 46 A 4.1489 7.8534 122.3722 54.2058 19.0533 177.0181 47 V 4.7754 7.8794 115.7488 61.1480 35.3244 174.0190 48 E 4.3584 8.8555 128.9514 54.6159 31.0831 174.8045 49 V 4.1985 8.3108 127.7083 62.5016 32.7399 175.0880 50 L 4.4841 8.8195 128.3095 52.9726 43.6767 175.0643 51 A 4.5907 8.6165 127.4994 50.6997 20.4438 176.1043 52 V 4.3208 8.5041 123.9710 62.4020 32.2994 175.3395 53 Q 4.2977 8.8858 130.4395 54.4762 29.7709 174.5407 54 Y 4.0468 7.7629 124.5661 56.6278 38.8314 174.0781 55 P 3.9584 0.0000 0.0000 64.4972 31.8846 177.0659 56 G 3.9783 9.2406 110.5304 45.1431 0.0000 173.0053 57 R 4.5784 7.6623 119.7138 55.6693 33.1188 176.5975 58 Q 3.2586 8.6780 122.0456 56.7889 28.3117 177.4888 59 D 4.4380 9.1639 128.0771 56.6314 39.5333 176.8365 60 R 4.5058 8.5574 119.8463 55.8987 30.1279 178.5136 61 R 4.1151 7.6396 117.2667 58.7223 29.3705 177.4870 62 H 4.5210 7.9292 113.9083 57.0280 29.2129 175.3175 63 E 4.2115 7.9539 120.4986 54.8404 30.0336 174.4879 64 P 4.4420 0.0000 0.0000 61.9580 32.0004 174.5630 65 P 4.3183 0.0000 0.0000 62.4805 31.8898 176.2798 66 V 3.8480 8.2556 122.1140 62.8400 31.7236 175.4563 67 D 4.7846 8.7455 126.1817 53.5514 40.1318 176.5590 68 S 4.7440 7.4967 114.4083 55.9293 67.3991 174.5347 69 I 3.7722 8.5286 124.2935 64.7653 36.8493 178.9258 70 G 3.7775 8.2604 106.0776 47.7458 0.0000 175.8186 71 G 3.6521 8.2979 108.1032 47.5105 0.0000 175.8868 72 L 4.1773 8.0065 121.4791 57.8156 41.5966 179.6396 73 T 3.8370 8.2524 115.9967 66.7437 67.9451 176.0539 74 N 4.2394 8.3523 118.5833 56.7360 38.6675 177.7028 75 R 3.5884 7.7139 118.4937 59.1683 30.2495 179.2083 76 L 3.6608 7.8840 118.9501 57.3614 41.2817 179.4634 77 L 3.9942 7.7932 118.7322 57.7834 41.6508 179.0873 78 E 4.0818 7.6358 118.2582 59.2650 29.2239 179.1871 79 V 3.5518 7.2322 117.2107 65.8106 31.7953 177.2126 80 L 4.7830 7.7962 115.8735 54.8536 41.6318 178.5031 81 R 3.9098 7.5270 118.9706 59.1332 30.0860 176.0416 82 P 4.2638 0.0000 0.0000 63.4866 31.4841 176.4415 83 F 4.8808 7.8150 117.2668 57.3827 39.0148 177.3221 84 G 3.8701 8.0616 108.4052 46.4988 0.0000 174.8753 85 D 4.5542 7.9417 118.8930 54.8302 40.0805 176.0811 86 R 4.7419 7.3821 116.6829 53.5500 34.6744 172.7562 87 P 4.4824 0.0000 0.0000 63.1235 32.7343 175.1770 88 L 5.3182 8.5669 123.3923 53.2957 45.2701 174.9762 89 A 5.3157 9.4161 127.0608 50.1127 23.0930 174.5565 90 L 5.2922 8.8537 118.4316 52.9308 45.4856 175.7252 91 F 5.3971 9.7344 125.2618 56.4880 42.6714 173.8081 92 G 4.5008 8.4383 111.9538 44.7504 0.0000 170.4442 93 H 5.2498 8.9684 122.4432 55.2537 31.9531 175.7100 94 S 4.0426 8.5243 122.0919 59.0526 63.3595 174.0253 *96 G 4.0270 7.8319 106.7552 45.4480 0.0000 174.5305 97 A 3.9366 7.9264 121.7592 55.0377 18.2015 179.8420 98 I 3.7296 7.6978 117.7445 64.6031 37.2063 178.5392 99 I 3.8048 7.8047 120.2875 64.2830 36.9586 178.3676 100 G 3.7729 8.5470 106.9996 48.1007 0.0000 175.0452 101 Y 4.2719 8.2113 121.9695 60.5273 38.9281 177.8434 102 E 3.8155 8.6130 119.8195 59.3075 29.3472 179.2699 103 L 3.9420 8.1323 118.0198 57.8229 41.8036 179.1044 104 A 4.1300 7.8837 119.2696 55.2294 18.3877 179.3630 105 L 3.9676 7.6136 116.3442 57.3513 42.8725 179.1611 106 R 4.2039 7.8353 119.0973 55.0936 28.3108 175.9841 *108 P 4.5755 0.0000 0.0000 62.8028 33.7574 179.6284 109 E 4.0193 8.1111 115.2040 58.6414 29.5607 177.5316 110 A 4.1083 7.8421 120.2085 52.8267 18.7739 178.1490 111 G 3.9511 8.1153 103.9214 45.0231 0.0000 173.2564 112 L 4.7223 7.4780 118.8884 51.6497 43.8017 174.3856 113 P 4.2580 0.0000 0.0000 62.4233 31.9024 176.3491 114 A 4.1330 8.3652 124.6325 51.4261 18.9487 175.9600 115 P 4.6321 0.0000 0.0000 63.0164 32.0734 176.8142 116 V 4.0713 8.3315 112.6456 62.9883 32.4660 175.8891 117 H 4.5021 7.5875 117.4649 54.9963 33.2209 171.9791 118 L 5.0568 8.2872 126.7387 53.2844 44.9435 174.8164 119 F 5.1568 9.5969 125.6057 55.9841 41.1000 174.6872 120 A 4.4881 8.5246 127.1888 50.1709 20.5805 174.9601 121 S 5.1785 8.8089 118.0448 57.4351 64.9874 174.4715 122 G 4.2691 9.3970 114.4115 45.9434 0.0000 173.1347 123 R 4.7440 7.8839 117.5266 54.2638 33.2368 174.6038 124 R 4.1671 8.5392 121.2076 55.4948 30.3953 176.1837 125 A 2.0000 7.9954 122.1609 51.1110 18.7774 177.2259 126 P 3.9619 0.0000 0.0000 65.4464 31.3419 178.0351 127 S 3.5597 7.2872 110.1156 59.1356 63.4005 173.9511 128 R 4.2474 7.5724 121.9066 55.1884 30.2007 175.2085 129 Y 4.5170 8.3884 124.4068 56.3930 40.0663 174.7176 130 R 4.2045 7.1693 123.7406 53.9856 33.9062 175.0238 131 D 4.4274 8.0296 120.9512 53.0888 42.5639 174.9847 132 D 4.4120 8.8904 120.4860 54.4526 41.3984 176.6880 133 D 4.3907 8.8365 121.5867 54.7930 41.5825 177.8487 134 V 3.6480 8.5238 119.3679 64.6197 31.6598 177.3885 135 R 4.0327 8.6314 116.8762 56.0690 30.3369 177.9062 136 G 3.8514 8.1454 107.4922 44.9260 0.0000 173.2879 137 A 4.4795 7.9021 116.5127 49.7926 19.1105 176.9052 138 S 4.3157 7.5478 118.5303 57.2203 65.8905 174.9147 139 D 4.3255 8.6406 123.3647 57.9027 40.5179 179.2415 140 E 3.9266 8.0601 118.1776 59.3545 29.5577 179.2629 141 R 3.8600 8.0538 118.6129 59.4769 30.0720 178.5701 142 L 4.0263 7.7964 118.7866 57.8086 41.5586 179.7521 143 V 3.5726 8.0461 118.1012 65.8764 31.4783 177.9189 144 A 4.0228 8.2677 120.7713 55.1650 17.9540 179.4700 145 E 3.9680 8.1302 116.2501 59.5840 29.7375 179.3100 146 L 3.8280 7.6498 119.1430 57.5338 41.6887 179.3771 147 R 3.8116 8.2972 119.1477 59.4150 29.7801 178.3140 148 K 3.8688 7.7889 118.0927 59.6534 32.1603 178.3940 149 L 4.0368 7.5270 118.0445 57.0606 41.9140 178.6714 150 G 3.6987 8.6267 107.2914 45.7772 0.0000 173.0025 151 G 3.7790 8.3179 107.4743 45.1361 0.0000 174.0113 152 S 4.0712 8.6013 113.9058 61.8002 63.1626 175.5145 153 D 4.4252 8.1239 118.5381 57.2683 40.9571 177.6104 154 A 4.0213 8.0571 121.4518 55.1735 17.9910 179.9146 155 A 4.0731 7.9260 116.2577 52.9182 17.8135 179.2070 *157 L 4.3310 7.9539 120.6034 56.1941 43.6086 178.4939 158 A 3.9984 7.6567 120.9546 54.6287 18.6848 177.6599 159 D 4.5577 7.5723 113.5063 53.0139 42.1091 175.2718 160 P 4.4375 0.0000 0.0000 66.0707 31.0072 178.3587 161 E 3.9951 8.3001 117.7292 59.2149 29.4528 178.8910 162 L 4.1222 7.9170 117.7616 57.3383 41.9816 178.5929 163 L 4.1201 8.4298 120.6286 58.1257 41.7505 179.3668 164 A 4.0919 7.5758 115.7398 53.3649 18.5580 178.3929 *166 V 4.0917 7.7578 121.5579 62.8265 33.6947 177.6501 167 L 3.9591 8.2780 121.1353 57.6342 41.4097 177.8381 168 P 4.2376 0.0000 0.0000 65.2777 31.1517 178.6067 169 A 4.0311 7.8715 119.5008 55.0532 18.2950 179.4810 170 I 3.6852 8.0765 118.6712 64.5702 37.1962 178.6132 171 R 3.9252 8.2928 119.7583 59.4223 29.8302 178.4379 172 S 4.1140 8.4968 113.2922 61.4822 62.0327 175.7674 173 D 4.3234 8.3078 121.6321 57.6104 40.6320 178.0540 174 Y 3.9799 8.3288 120.1358 60.9802 38.7255 178.6104 175 R 3.9719 8.4095 118.6521 59.0503 29.9396 178.7401 176 A 4.0256 8.1347 120.3283 55.2106 18.5411 179.8102 177 V 3.6743 7.7856 117.5239 65.1024 31.3459 178.4445 178 E 3.9371 7.8529 118.1403 58.2058 29.4044 178.4241 179 T 4.2569 7.8540 108.2910 61.6525 69.7136 174.6247 180 Y 4.1824 7.1093 123.7159 58.0804 39.2527 175.5011 181 R 4.2255 7.6458 124.8986 53.9939 33.4034 175.1248 182 H 4.1842 8.2253 117.9840 55.1694 29.2092 174.4530 183 E 4.1384 8.5298 121.7104 54.2283 29.7038 174.0441 184 P 4.2173 0.0000 0.0000 64.2710 31.8352 176.6933 185 G 4.0265 8.9486 110.8574 45.3807 0.0000 174.1129 186 R 4.2682 7.2129 117.9518 56.0908 30.7503 176.2746 187 R 4.8476 8.1092 118.9385 54.5905 34.1946 175.7629 188 V 3.9997 8.9782 116.1385 61.6200 32.3468 176.1318 189 D 5.3079 8.6669 118.8964 54.0353 42.2770 176.9369 190 C 4.5290 7.9655 112.9058 56.2962 31.5621 171.8119 191 P 4.4566 0.0000 0.0000 62.9443 32.3967 175.4610 192 V 4.5665 8.4925 122.5075 61.3990 34.3356 174.1727 193 T 4.7373 8.4797 125.0168 61.7398 71.0316 173.3232 194 V 4.3788 8.5439 127.0961 61.0925 33.8089 174.2849 195 F 5.5405 8.9989 126.4229 56.0942 41.9919 174.3653 196 T 4.4826 8.6300 117.1069 60.0198 71.0864 173.2286 197 G 3.7103 7.6934 114.3186 45.8426 0.0000 173.5470 198 D 4.6848 8.7698 122.2733 54.6210 40.8061 176.1946 199 H 4.8047 7.7529 115.4140 54.9909 28.4056 174.1549 200 D 4.5933 8.1908 119.7171 53.9716 41.1729 174.5683 201 P 4.3951 0.0000 0.0000 64.7521 31.5155 177.0578 202 R 4.3472 8.1579 117.0778 55.8502 30.3438 176.3029 203 V 4.3661 7.6900 118.1562 60.2805 33.2458 175.6202 204 S 4.5126 9.0621 123.4518 57.5058 65.3662 175.1114 205 V 3.6799 8.3289 122.0621 66.1738 31.2534 178.4115 206 G 3.6554 8.0565 104.9137 48.0218 0.0000 175.3867 207 E 4.0036 8.4119 120.8072 58.7419 29.4905 179.4506 208 A 4.2337 8.2151 121.1181 55.2759 18.5031 179.5153 209 R 3.8977 8.5038 117.4978 59.5791 30.1128 178.2497 210 A 4.0422 8.1338 120.0419 54.1931 18.2846 179.1802 211 W 4.1150 8.2030 117.4441 59.3655 28.7961 178.0534 212 E 4.1022 8.3474 117.1830 59.1780 28.9974 178.2718 213 E 4.2530 8.0754 117.1739 57.4890 29.7919 176.7286 214 H 4.9407 8.2145 115.9576 55.4546 29.7052 173.1986 215 T 5.2136 7.6013 112.9629 60.6472 70.5687 173.7584 216 T 4.1633 8.8750 116.6214 62.8079 69.6532 174.8475 217 G 4.4024 7.8315 111.9696 43.3623 0.0000 170.8343 218 P 4.5215 0.0000 0.0000 62.6488 32.5420 175.1694 219 A 5.2902 8.5498 124.5927 50.3012 21.4843 175.2144 220 D 4.8711 9.0547 120.2540 52.2584 45.2152 174.0187 221 L 5.0411 8.4721 125.3682 53.2653 45.1267 175.4841 222 R 4.5820 9.0834 125.2699 54.4766 33.1372 174.5559 223 V 4.6265 8.4612 124.5719 61.4210 32.8547 174.9068 224 L 4.9500 8.6590 127.6273 51.9646 45.2462 174.2363 225 P 5.1013 0.0000 0.0000 62.4745 32.1721 175.7899 226 G 4.2164 8.6850 109.8524 43.4150 0.0000 172.7309 227 G 4.3195 8.2936 111.8896 45.2164 0.0000 175.3864 228 H 4.5412 9.0406 119.2831 58.0283 30.1876 176.2732 229 F 4.8436 7.9767 118.0911 56.3235 39.6966 177.4104 230 F 4.2839 8.3296 118.6687 59.9345 37.5849 177.4390 231 L 3.5333 6.3935 119.8401 57.9330 39.9555 178.4120 232 V 3.5810 7.4848 119.7361 66.0074 31.7120 177.8504 233 D 4.4327 8.0272 118.9245 56.7709 40.9220 177.1722 234 Q 4.5905 8.0682 116.8829 55.4890 29.2002 176.6663 235 A 3.9662 7.5974 122.6102 55.4124 18.7208 180.0757 236 A 4.1087 8.1159 118.3917 54.9237 18.6552 180.0636 237 P 4.6301 0.0000 0.0000 62.7307 30.6440 178.5298 *239 I 3.8073 7.9533 120.6504 62.4411 39.2884 177.2166 240 A 4.1164 8.2214 123.1619 55.7344 18.3784 180.1925 241 T 3.9068 8.2056 109.1955 65.0196 67.6816 176.4008 *243 T 4.2254 8.0015 120.5733 63.7221 70.5312 176.0280 244 E 3.8580 8.2338 121.8758 59.1866 29.8929 179.0314 245 K 4.0716 8.4339 117.5451 59.3469 32.1321 177.8689 246 L 4.3889 7.5668 115.3830 54.8195 41.8724 176.6640 247 A 4.3277 7.5558 127.9594 52.2325 19.0204 177.1277 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 H 8.30 4.74 0.00 3.24 3.38 0.00 5.84 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 R 8.08 3.76 0.00 1.98 1.97 0.00 3.17 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.78 0.00 4 P 0.00 4.29 0.00 2.04 2.15 0.00 3.74 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.17 0.00 5 E 8.17 4.11 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.53 0.00 6 A 8.39 4.10 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 7 E 8.79 4.09 0.00 2.21 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 0.00 2.52 2.54 0.00 8 K 7.92 4.03 0.00 2.00 1.82 0.00 1.72 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.72 7.81 9 W 8.48 4.65 0.00 3.57 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 L 7.42 5.33 0.00 1.48 1.49 1.02 0.89 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 11 R 9.06 4.32 0.00 0.96 0.91 0.00 3.21 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.69 0.00 12 R 8.24 4.45 0.00 1.59 1.81 0.00 3.21 0.00 0.00 3.45 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.55 0.00 13 F 8.30 4.54 0.00 2.96 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 7.74 4.39 0.00 1.74 1.74 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 2.12 2.35 0.00 15 R 8.53 4.01 0.00 1.84 1.86 0.00 3.52 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 16 A 8.29 4.64 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 17 P 0.00 4.34 0.00 2.06 2.14 0.00 3.65 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 18 D 7.82 4.87 0.00 2.64 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 A 7.96 4.45 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 20 R 8.66 4.30 0.00 1.84 2.08 0.00 3.25 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.60 0.00 21 A 7.82 4.92 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 R 8.76 4.94 0.00 1.68 1.64 0.00 3.08 0.00 0.00 2.88 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.55 0.00 23 L 8.81 5.05 0.00 1.66 1.43 1.14 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 24 V 8.96 4.17 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 0.71 0.00 0.00 0.82 0.00 0.00 25 C 8.89 5.03 0.00 2.03 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 8.93 5.00 0.00 1.69 1.85 1.05 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 27 P 0.00 5.12 0.00 2.13 1.92 0.00 3.37 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.44 0.00 28 H 8.90 4.80 0.00 3.37 3.66 0.00 5.65 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.13 4.36 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 30 G 9.34 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 31 G 7.97 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 S 8.61 4.73 0.00 4.22 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 A 9.46 4.27 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 34 S 7.92 4.04 0.00 3.77 4.18 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 35 F 8.10 3.89 0.00 2.84 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 36 F 8.51 4.69 0.00 3.42 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 37 F 7.78 3.66 0.00 2.35 2.68 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 38 P 0.00 4.11 0.00 2.00 1.96 0.00 3.51 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 1.88 2.08 0.00 39 L 7.69 3.76 0.00 1.64 1.83 0.65 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 40 A 8.09 3.91 1.40 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 41 K 7.30 3.77 0.00 1.65 1.70 0.00 1.55 0.00 0.00 1.64 0.00 0.00 2.53 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.83 1.03 7.81 42 A 7.79 4.04 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 43 L 8.05 4.18 0.00 1.59 1.63 0.74 0.51 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 44 A 7.18 4.61 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.44 0.00 2.21 2.28 0.00 3.67 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.94 0.00 46 A 7.85 4.15 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 47 V 7.88 4.78 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 0.89 0.00 0.00 0.92 0.00 0.00 48 E 8.86 4.36 0.00 2.06 1.75 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 2.15 2.19 0.00 49 V 8.31 4.20 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 0.77 0.00 0.00 0.81 0.00 0.00 50 L 8.82 4.48 0.00 1.37 1.35 -0.04 0.56 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 51 A 8.62 4.59 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 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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 0.00 121 S 8.81 5.18 0.00 3.97 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 0.00 122 G 9.40 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 0.00 0.00 0.00 0.00 123 R 7.88 4.74 0.00 1.78 1.96 0.00 3.31 0.00 0.00 3.39 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.84 0.00 124 R 8.54 4.17 0.00 1.90 1.91 0.00 3.03 0.00 0.00 3.32 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.52 0.00 125 A 8.00 2.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 P 0.00 3.96 0.00 1.32 1.93 0.00 2.20 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 0.49 0.87 0.00 127 S 7.29 3.56 0.00 3.82 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 0.00 128 R 7.57 4.25 0.00 1.80 1.85 0.00 3.27 0.00 0.00 3.08 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.60 0.00 129 Y 8.39 4.52 0.00 2.89 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 0.00 130 R 7.17 4.20 0.00 1.52 1.55 0.00 3.35 0.00 0.00 3.08 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.41 0.00 131 D 8.03 4.43 0.00 2.69 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 0.00 132 D 8.89 4.41 0.00 2.68 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 D 8.84 4.39 0.00 2.78 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 0.00 134 V 8.52 3.65 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 0.76 0.00 0.00 0.94 0.00 0.00 135 R 8.63 4.03 0.00 1.88 1.97 0.00 3.28 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 136 G 8.15 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 0.00 137 A 7.90 4.48 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 S 7.55 4.32 0.00 4.17 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 0.00 139 D 8.64 4.33 0.00 2.68 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 0.00 140 E 8.06 3.93 0.00 2.03 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 2.39 2.42 0.00 141 R 8.05 3.86 0.00 1.87 1.88 0.00 3.11 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 1.71 1.69 0.00 142 L 7.80 4.03 0.00 1.71 1.71 0.61 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 143 V 8.05 3.57 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 1.04 0.00 0.00 0.95 0.00 0.00 144 A 8.27 4.02 1.40 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 0.00 145 E 8.13 3.97 0.00 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0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 197 G 7.69 3.71 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 0.00 198 D 8.77 4.68 0.00 2.75 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 0.00 199 H 7.75 4.80 0.00 3.14 3.37 0.00 5.55 0.00 0.00 0.00 0.00 8.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 200 D 8.19 4.59 0.00 2.75 2.61 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 0.00 201 P 0.00 4.40 0.00 2.23 2.18 0.00 3.83 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 202 R 8.16 4.35 0.00 1.79 1.95 0.00 3.24 0.00 0.00 3.28 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 203 V 7.69 4.37 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 0.87 0.00 0.00 1.00 0.00 0.00 204 S 9.06 4.51 0.00 4.08 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 0.00 205 V 8.33 3.68 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 1.07 0.00 0.00 0.92 0.00 0.00 206 G 8.06 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 207 E 8.41 4.00 0.00 2.19 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 2.29 2.31 0.00 208 A 8.22 4.23 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 209 R 8.50 3.90 0.00 1.87 2.12 0.00 3.12 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.68 0.00 210 A 8.13 4.04 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 211 W 8.20 4.12 0.00 3.48 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 212 E 8.35 4.10 0.00 2.14 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 2.43 2.37 0.00 213 E 8.08 4.25 0.00 1.96 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 2.31 2.32 0.00 214 H 8.21 4.94 0.00 3.35 3.41 0.00 5.56 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 215 T 7.60 5.21 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 1.36 0.00 0.00 216 T 8.88 4.16 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 217 G 7.83 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 0.00 218 P 0.00 4.52 0.00 2.10 2.18 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 2.03 1.95 0.00 219 A 8.55 5.29 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 0.00 220 D 9.05 4.87 0.00 2.70 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 0.00 0.00 0.00 221 L 8.47 5.04 0.00 1.60 1.46 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 222 R 9.08 4.58 0.00 1.80 1.95 0.00 3.33 0.00 0.00 3.11 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.70 0.00 223 V 8.46 4.63 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 0.72 0.00 0.00 0.90 0.00 0.00 224 L 8.66 4.95 0.00 1.56 1.64 1.24 1.00 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 0.00 225 P 0.00 5.10 0.00 1.98 2.03 0.00 3.93 0.00 0.00 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 226 G 8.69 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 227 G 8.29 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 0.00 0.00 0.00 0.00 228 H 9.04 4.54 0.00 3.03 3.24 0.00 5.71 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 229 F 7.98 4.84 0.00 3.13 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 0.00 230 F 8.33 4.28 0.00 3.45 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 231 L 6.39 3.53 0.00 1.42 0.77 1.07 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 232 V 7.48 3.58 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 0.88 0.00 0.00 1.02 0.00 0.00 233 D 8.03 4.43 0.00 2.75 2.75 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 0.00 234 Q 8.07 4.59 0.00 2.33 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.91 0.00 0.00 0.00 0.00 0.00 2.43 2.70 0.00 235 A 7.60 3.97 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 236 A 8.12 4.11 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 0.00 237 P 0.00 4.63 0.00 2.29 2.32 0.00 3.75 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.13 0.00 *239 I 7.95 3.81 1.95 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.39 0.81 0.00 0.00 240 A 8.22 4.12 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 0.00 241 T 8.21 3.91 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 *243 T 8.00 4.23 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 1.20 0.00 0.00 244 E 8.23 3.86 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 245 K 8.43 4.07 0.00 2.15 1.97 0.00 1.72 0.00 0.00 2.02 0.00 0.00 3.17 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.58 1.56 7.81 246 L 7.57 4.39 0.00 1.51 1.75 0.96 0.95 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 0.00 247 A 7.56 4.33 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 * Residues marked with a * may have inaccurate shift predictions.