NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 R 4.3465 8.2549 119.7098 55.5525 31.5436 175.1644 5 K 4.0514 8.5608 122.3219 55.1118 32.9495 174.4670 6 P 4.4430 0.0000 0.0000 63.4487 33.7113 174.7640 7 I 4.7585 9.2021 124.7069 60.0613 39.1068 174.6299 8 I 4.5675 9.0526 129.2749 59.5221 39.0968 175.1479 9 G 4.1264 9.0140 116.0281 45.4437 0.0000 172.2894 10 V 4.9310 8.7861 125.8600 61.2682 33.4552 174.4490 11 M 4.8231 9.3147 127.6374 53.6523 35.7222 174.3063 12 G 4.3336 7.9681 109.7297 45.3527 0.0000 170.4469 13 P 4.6361 0.0000 0.0000 62.2963 33.4400 175.9161 14 G 3.9529 8.2577 107.7714 45.1258 0.0000 174.1904 15 K 3.8442 8.9761 119.5182 59.6209 32.1946 178.6526 16 A 4.2130 8.0985 120.0494 54.8139 18.2063 177.7308 17 D 4.8220 7.4535 112.3022 54.2806 42.1659 176.2263 18 T 4.2490 7.8477 118.0807 62.2865 69.4187 174.7182 19 A 4.3502 8.8988 128.7102 51.6249 20.6218 177.9252 20 E 3.9340 8.6302 121.6780 59.3234 29.7964 178.9502 21 N 4.4015 8.1377 116.7219 56.0327 37.2744 177.1208 22 Q 4.0290 7.9224 119.9507 58.3913 28.8328 178.0319 23 L 3.9662 7.9990 120.2123 57.9270 41.7355 179.7869 24 V 3.5723 7.6546 117.5315 66.3733 31.5201 177.9628 25 M 4.0732 8.2386 118.2229 58.2614 31.6723 178.6850 26 A 3.9914 8.3069 121.2094 55.0436 18.5803 179.0851 27 N 4.4229 8.3795 115.7996 57.0760 39.0325 176.9564 28 E 3.9701 8.3160 119.8955 59.1772 29.4437 179.0486 29 L 4.0480 8.5993 120.9180 58.0392 42.2243 178.9803 30 G 3.8002 8.2741 105.8723 48.0038 0.0000 175.4293 31 K 4.0103 7.9463 121.1487 59.5014 32.2529 179.4919 32 Q 4.2734 8.0325 119.2654 58.0282 28.5947 178.5807 33 I 3.9284 8.2000 121.2672 64.4879 37.2404 178.2432 34 A 3.9810 7.9393 121.5591 55.4025 18.1268 179.8134 35 T 3.8401 8.0047 107.9639 64.4710 68.6366 175.5202 36 H 4.2216 7.3732 116.8716 54.8998 28.6030 175.5969 37 G 3.7524 7.4802 108.6764 45.7893 0.0000 173.5869 38 W 5.2614 7.3939 118.2909 54.8800 31.5085 176.0333 39 I 4.3442 8.9220 123.7857 60.8586 38.4509 174.7252 40 L 4.8556 8.7321 128.9409 54.0075 43.6616 174.7293 41 L 5.1618 8.9492 129.1114 53.7315 44.5159 175.0958 42 T 4.8162 8.7710 119.9423 60.7550 71.6819 172.3660 43 G 3.9579 8.7624 110.6438 46.5627 0.0000 173.9843 44 G 4.1341 9.6895 111.3393 46.1968 0.0000 174.4008 45 R 4.5428 8.0193 117.6809 56.4433 32.2400 176.1979 46 S 4.3312 7.9303 113.4524 57.9461 62.8538 173.7564 47 L 4.7162 8.5948 126.7674 54.7322 43.0612 176.4167 48 G 4.2081 7.3906 110.4210 44.2176 0.0000 176.0994 49 V 3.5563 8.3213 125.3536 66.3990 31.0561 177.0442 50 M 4.1038 7.9847 117.5065 58.6319 31.8098 178.1095 51 H 4.2520 8.0235 118.1619 59.2607 29.9342 177.2600 52 E 3.8868 8.3612 120.3251 59.0707 29.2360 179.0817 53 A 4.1629 8.3872 121.2607 55.5164 18.5409 179.2645 54 M 3.9780 8.0418 116.5853 58.8825 32.2998 178.5793 55 K 4.0630 8.4200 119.0504 59.1504 32.2352 179.6615 56 G 3.4873 8.3904 106.0799 47.7399 0.0000 175.3680 57 A 4.1579 8.2965 124.5018 54.7819 18.3698 179.6073 58 K 3.8298 7.9721 117.7873 59.8283 32.0671 178.8716 59 E 4.0097 7.9556 117.3560 59.1039 29.4042 178.3258 60 A 4.3838 7.6879 117.7450 51.8383 18.4062 177.8208 61 G 3.8026 7.9573 106.0268 46.4799 0.0000 174.6789 62 G 3.8979 8.5055 106.9777 46.0581 0.0000 173.7743 63 T 4.9472 8.3845 117.5444 62.3391 70.4930 174.0215 64 T 5.1837 9.0273 115.9713 59.9004 72.2891 172.7525 65 I 4.7941 9.1717 125.4948 59.5717 39.9667 174.5464 66 G 4.3144 8.8299 114.9325 44.4325 0.0000 172.1894 67 V 4.8584 8.7614 126.9268 61.6671 33.2506 174.7204 68 L 5.0218 9.1455 127.5285 53.3973 43.5516 175.8090 69 P 4.3046 0.0000 0.0000 64.8921 32.5723 176.1533 70 G 4.2605 7.3659 105.1201 45.0706 0.0000 170.4191 71 P 4.7378 0.0000 0.0000 62.4338 32.7439 175.7992 72 D 4.6918 8.4334 118.1440 52.6917 41.9809 180.4041 73 T 3.2202 7.7293 105.2363 62.9786 68.6590 177.2581 *76 I 3.9944 7.1094 114.1891 59.8413 39.0933 175.4887 77 S 4.1618 8.4049 116.1649 58.6504 62.6540 174.8949 78 D 4.4166 8.9589 126.8205 57.4949 40.7292 178.0977 79 A 4.0541 7.7610 120.6683 54.3350 18.5538 177.6921 80 V 3.9391 7.5217 116.5744 62.7493 32.1701 175.0827 81 D 4.5555 8.6985 127.3861 56.4508 41.9479 177.2740 82 I 4.3082 7.9465 124.4020 59.0078 38.3778 172.4224 83 P 4.9789 0.0000 0.0000 61.8818 32.4060 175.8116 84 I 4.3281 9.3045 127.0696 59.6568 39.1619 174.8135 85 V 4.7136 8.3833 128.1717 61.9512 31.8987 175.3748 86 T 4.1531 9.1175 118.6605 61.1034 70.6803 176.8007 87 G 3.9844 8.2592 108.1220 45.7570 0.0000 173.9063 88 L 4.3034 7.4598 119.7603 54.0042 43.3333 175.0991 89 G 4.1708 8.2399 108.7286 45.0729 0.0000 174.2510 90 S 4.7944 8.4048 116.0205 57.9421 63.2607 174.7790 91 A 4.0880 8.1562 126.2223 55.2534 18.1832 178.9056 92 R 4.5316 7.6099 114.5170 54.5156 32.7647 173.2418 93 D 4.5397 8.8073 127.0451 54.8526 39.9893 175.2733 94 N 4.5701 7.8971 120.5070 52.1483 37.6537 174.6268 95 I 4.1815 7.6556 117.2953 59.9796 39.1322 175.5073 96 N 4.9383 8.2816 115.7172 53.0694 39.5805 175.2080 97 A 4.1876 8.2180 117.2861 52.3735 18.5206 180.0450 98 L 4.1787 7.6838 115.8787 57.0222 41.8858 178.5285 99 S 4.2700 8.8900 115.8720 60.2464 63.0153 174.6075 100 S 4.7503 7.6185 115.1521 56.9906 64.4761 174.8584 101 N 4.4469 9.0539 120.2201 55.8316 38.8851 175.8994 102 V 4.4329 7.4616 116.4815 60.7967 35.8161 173.7259 103 L 5.1034 8.3004 127.2567 53.1635 44.9222 175.0214 104 V 4.8266 9.1393 126.1949 61.0933 34.1658 173.7744 105 A 4.9679 8.7947 130.5077 50.5438 20.5731 175.5482 106 V 4.4408 8.9523 124.1622 62.3881 33.5052 176.9287 107 G 4.0193 9.9765 118.3301 44.4934 0.0000 171.3345 108 M 4.5827 7.4250 115.3196 54.6510 34.9534 174.0498 109 G 3.9912 7.9914 110.6470 43.9550 0.0000 172.1570 110 P 4.3573 0.0000 0.0000 65.5882 31.0551 179.1440 111 G 3.6480 8.0727 103.9482 48.1528 0.0000 175.7272 112 T 3.8745 7.8955 117.5574 66.3251 68.6073 176.5163 113 A 4.2661 8.6379 122.9003 55.1908 18.2830 179.6113 114 A 4.0326 8.3028 119.3946 55.4626 18.4891 179.7910 115 E 3.9125 8.0660 116.9646 59.2423 29.6214 179.6787 116 V 3.3587 8.0838 118.5520 65.8985 31.4768 177.9764 117 A 4.1445 8.1849 120.4874 55.2489 18.2480 179.6323 118 L 3.9349 8.3371 117.5626 57.6852 41.5784 179.5223 119 A 3.9536 7.9982 120.8296 55.2162 18.2658 179.7191 120 L 3.9098 7.7469 116.9805 57.8063 41.4710 179.5806 121 K 3.9032 8.1288 118.4604 59.0289 32.0589 177.5320 122 A 4.4497 7.5628 118.7936 50.8374 19.0833 176.8767 123 K 3.8542 7.9556 117.0459 58.6179 30.2295 175.4357 124 K 4.7530 7.9538 117.2473 53.8079 34.2840 175.3949 125 P 4.7543 0.0000 0.0000 63.0348 32.9234 175.4512 126 V 4.7827 8.9200 115.0172 59.6308 35.8573 174.4819 127 V 4.7527 8.8232 124.8833 61.1583 33.9756 174.1225 128 L 5.0151 9.0421 128.5276 53.0134 43.9624 175.0934 129 L 4.8871 8.7842 126.9430 53.5104 44.9294 176.6970 130 G 3.9763 8.8045 113.9007 46.6358 0.0000 172.8848 131 T 4.4641 7.6917 108.3122 60.3691 70.5051 174.9577 132 Q 4.3556 8.3046 122.1692 54.6127 31.0660 175.2972 133 P 4.4275 0.0000 0.0000 66.3280 31.0823 178.8641 134 E 3.9479 8.1896 116.4393 59.0906 29.3967 178.7538 135 A 4.0380 8.0723 120.3701 55.3953 18.4937 179.2588 136 E 4.0610 8.1398 116.2382 59.6762 29.6312 179.8224 137 K 3.9769 8.3141 118.5487 59.3817 31.9024 179.1953 138 F 4.0865 8.1857 119.7885 61.4017 39.6468 176.9249 139 F 4.0171 8.2475 117.6873 60.7549 38.5060 177.5223 140 T 3.9099 8.1484 115.6845 67.0436 68.0359 176.5568 141 S 3.9717 7.6781 114.8624 61.2109 63.0705 176.2393 142 L 4.2331 7.3874 122.0499 56.5604 42.1501 176.4111 143 D 4.3519 7.3563 112.9442 53.3779 43.0040 175.6072 144 A 4.0159 8.5890 129.2440 54.5274 18.7751 179.2733 145 G 3.7029 8.1160 103.5119 47.6036 0.0000 174.0700 146 L 4.5321 7.7216 118.4410 54.6675 43.3794 176.1395 147 V 4.6682 7.6406 119.4390 61.5073 33.2062 174.5232 148 H 4.8258 9.2633 125.0636 53.8825 31.7676 172.9373 149 V 4.3608 8.5777 124.0437 62.4069 32.2534 174.8351 150 A 4.8279 9.0001 129.7244 50.1206 20.4179 176.5681 151 A 4.0666 8.8886 125.3877 54.9252 19.1463 177.1761 152 D 4.4812 7.6333 113.7056 51.5441 42.8528 176.5162 153 V 3.5795 8.2824 118.2488 66.4914 31.1629 177.6499 154 A 4.1142 8.0408 119.8545 54.9540 18.2286 179.6938 155 G 3.5284 8.4650 104.2782 47.8767 0.0000 175.8494 156 A 4.0181 8.1710 123.1499 54.9833 18.3210 179.8650 157 I 3.8105 8.1196 118.5254 64.4321 37.1755 178.5279 158 A 4.0205 8.3490 121.6483 55.0004 18.1697 179.4987 159 A 3.9062 8.2549 119.5236 55.3003 18.3786 180.0348 160 V 3.3445 7.8362 116.6773 65.9240 31.5094 178.4016 161 K 4.0385 8.2878 118.2715 59.5555 31.9350 179.1076 162 Q 3.9993 8.1399 118.2358 59.1810 28.4739 179.2257 163 L 3.9238 7.6880 118.2331 57.8217 41.7076 179.2939 164 L 4.0024 7.8020 117.7472 57.7523 41.6027 179.2174 165 A 4.2170 8.2063 122.2322 55.1000 18.3940 178.6989 166 K 4.1953 7.8494 126.2928 57.3393 31.9152 180.5109 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 4 R 8.25 4.35 0.00 1.83 1.95 0.00 3.18 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 1.54 1.67 0.00 5 K 8.56 4.05 0.00 1.90 2.02 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.14 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.50 1.57 7.81 6 P 0.00 4.44 0.00 1.67 1.71 0.00 3.88 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.13 0.00 7 I 9.20 4.76 1.84 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 1.24 0.89 0.90 0.00 0.00 8 I 9.05 4.57 1.94 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.78 0.86 0.00 0.00 9 G 9.01 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.79 4.93 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 0.78 0.00 0.00 0.95 0.00 0.00 11 M 9.31 4.82 0.00 2.06 1.81 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.47 0.00 12 G 7.97 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 0.00 0.00 0.00 0.00 13 P 0.00 4.64 0.00 2.10 2.03 0.00 3.63 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 14 G 8.26 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.98 3.84 0.00 1.80 1.83 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.61 7.81 16 A 8.10 4.21 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 17 D 7.45 4.82 0.00 2.80 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 18 T 7.85 4.25 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 19 A 8.90 4.35 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 20 E 8.63 3.93 0.00 2.10 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 2.38 2.43 0.00 21 N 8.14 4.40 0.00 2.96 3.07 0.00 0.00 6.29 7.52 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 22 Q 7.92 4.03 0.00 2.31 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.90 0.00 0.00 0.00 0.00 0.00 2.46 2.46 0.00 23 L 8.00 3.97 0.00 1.91 1.73 0.98 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 24 V 7.65 3.57 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.97 0.00 0.00 25 M 8.24 4.07 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.57 0.00 26 A 8.31 3.99 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 N 8.38 4.42 0.00 2.97 2.96 0.00 0.00 7.26 8.39 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 28 E 8.32 3.97 0.00 2.17 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 2.48 2.46 0.00 29 L 8.60 4.05 0.00 1.82 1.89 0.97 1.03 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 30 G 8.27 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 31 K 7.95 4.01 0.00 2.07 1.87 0.00 1.81 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.60 1.69 7.81 32 Q 8.03 4.27 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.55 0.00 33 I 8.20 3.93 2.14 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 1.79 0.83 1.13 0.00 0.00 34 A 7.94 3.98 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 T 8.00 3.84 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 1.18 0.00 0.00 36 H 7.37 4.22 0.00 1.40 1.53 0.00 5.91 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 G 7.48 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 0.00 0.00 0.00 38 W 7.39 5.26 0.00 3.53 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 39 I 8.92 4.34 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.75 1.00 0.00 0.00 40 L 8.73 4.86 0.00 1.84 1.57 0.96 0.21 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 41 L 8.95 5.16 0.00 1.75 1.48 0.96 0.38 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 42 T 8.77 4.82 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 1.26 0.00 0.00 43 G 8.76 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 G 9.69 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 45 R 8.02 4.54 0.00 1.78 1.96 0.00 3.36 0.00 0.00 3.14 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.52 0.00 46 S 7.93 4.33 0.00 3.86 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 L 8.59 4.72 0.00 1.65 1.63 0.87 0.69 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 48 G 7.39 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 0.00 0.00 0.00 0.00 49 V 8.32 3.56 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 1.07 0.00 0.00 0.99 0.00 0.00 50 M 7.98 4.10 0.00 2.26 2.26 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.60 0.00 51 H 8.02 4.25 0.00 3.42 3.46 0.00 5.78 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.36 3.89 0.00 2.20 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 2.34 2.65 0.00 53 A 8.39 4.16 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 54 M 8.04 3.98 0.00 2.16 2.22 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.65 0.00 55 K 8.42 4.06 0.00 1.96 1.78 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.21 7.81 56 G 8.39 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.30 4.16 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 58 K 7.97 3.83 0.00 2.14 1.93 0.00 1.53 0.00 0.00 1.79 0.00 0.00 3.11 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.53 7.81 59 E 7.96 4.01 0.00 2.14 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 2.34 2.52 0.00 60 A 7.69 4.38 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 61 G 7.96 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 62 G 8.51 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 63 T 8.38 4.95 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 1.23 0.00 0.00 64 T 9.03 5.18 4.26 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 73 T 7.73 3.22 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 *76 I 7.11 3.99 1.88 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 1.30 1.02 0.96 0.00 0.00 77 S 8.40 4.16 0.00 3.91 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 D 8.96 4.42 0.00 2.70 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 79 A 7.76 4.05 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 80 V 7.52 3.94 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 0.83 0.00 0.00 0.95 0.00 0.00 81 D 8.70 4.56 0.00 2.85 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 82 I 7.95 4.31 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.32 0.92 0.00 0.00 83 P 0.00 4.98 0.00 1.94 2.00 0.00 3.64 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 84 I 9.30 4.33 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 1.27 0.92 0.91 0.00 0.00 85 V 8.38 4.71 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 0.81 0.00 0.00 0.93 0.00 0.00 86 T 9.12 4.15 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 87 G 8.26 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 L 7.46 4.30 0.00 1.62 1.66 0.92 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 89 G 8.24 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 S 8.40 4.79 0.00 3.97 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 A 8.16 4.09 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 92 R 7.61 4.53 0.00 1.72 1.76 0.00 3.28 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 93 D 8.81 4.54 0.00 3.21 2.64 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 94 N 7.90 4.57 0.00 2.68 2.75 0.00 0.00 7.32 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 95 I 7.66 4.18 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.70 0.93 0.00 0.00 96 N 8.28 4.94 0.00 2.68 2.72 0.00 0.00 6.73 8.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 A 8.22 4.19 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 98 L 7.68 4.18 0.00 1.63 1.73 0.91 0.90 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 99 S 8.89 4.27 0.00 3.73 3.91 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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0.00 108 M 7.43 4.58 0.00 1.99 1.98 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.73 0.00 109 G 7.99 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 P 0.00 4.36 0.00 2.18 2.12 0.00 3.62 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 111 G 8.07 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 T 7.90 3.87 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 1.20 0.00 0.00 113 A 8.64 4.27 1.60 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 0.00 0.00 114 A 8.30 4.03 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 0.00 115 E 8.07 3.91 0.00 2.02 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 2.35 0.00 116 V 8.08 3.36 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 -0.17 0.00 0.00 0.72 0.00 0.00 117 A 8.18 4.14 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 0.00 118 L 8.34 3.93 0.00 1.69 1.73 0.93 1.27 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 0.00 119 A 8.00 3.95 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 0.00 120 L 7.75 3.91 0.00 1.93 1.72 0.96 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 121 K 8.13 3.90 0.00 1.84 2.04 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.47 7.81 122 A 7.56 4.45 1.34 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 0.00 123 K 7.96 3.85 0.00 1.89 1.89 0.00 1.68 0.00 0.00 1.84 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.52 7.81 124 K 7.95 4.75 0.00 1.67 1.66 0.00 1.67 0.00 0.00 1.82 0.00 0.00 3.05 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.47 7.81 125 P 0.00 4.75 0.00 2.04 2.16 0.00 3.58 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.93 0.00 126 V 8.92 4.78 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 0.61 0.00 0.00 0.81 0.00 0.00 127 V 8.82 4.75 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 1.01 0.00 0.00 0.85 0.00 0.00 128 L 9.04 5.02 0.00 1.61 1.60 1.05 0.03 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 0.00 129 L 8.78 4.89 0.00 1.72 1.63 1.00 1.08 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 0.00 130 G 8.80 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 T 7.69 4.46 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 132 Q 8.30 4.36 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.85 0.00 0.00 0.00 0.00 0.00 2.47 2.41 0.00 133 P 0.00 4.43 0.00 2.16 2.14 0.00 3.61 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.22 0.00 134 E 8.19 3.95 0.00 1.98 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 2.39 2.37 0.00 135 A 8.07 4.04 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.14 4.06 0.00 2.27 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 0.00 2.41 2.61 0.00 137 K 8.31 3.98 0.00 1.87 1.89 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.64 7.81 138 F 8.19 4.09 0.00 2.78 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 0.00 139 F 8.25 4.02 0.00 3.15 3.01 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 0.00 140 T 8.15 3.91 4.47 0.00 0.00 0.00 0.00 0.00 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 0.00 141 S 7.68 3.97 0.00 3.98 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 0.00 142 L 7.39 4.23 0.00 1.67 1.67 0.81 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 143 D 7.36 4.35 0.00 2.67 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 A 8.59 4.02 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 0.00 145 G 8.12 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 0.00 0.00 0.00 146 L 7.72 4.53 0.00 1.55 1.82 0.96 1.13 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 0.00 147 V 7.64 4.67 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 0.84 0.00 0.00 1.02 0.00 0.00 148 H 9.26 4.83 0.00 3.07 3.17 0.00 5.86 0.00 0.00 0.00 0.00 6.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 V 8.58 4.36 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 0.86 0.00 0.00 0.97 0.00 0.00 150 A 9.00 4.83 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 0.00 151 A 8.89 4.07 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 0.00 152 D 7.63 4.48 0.00 2.91 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 0.00 153 V 8.28 3.58 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 1.15 0.00 0.00 0.98 0.00 0.00 154 A 8.04 4.11 1.34 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 0.00 155 G 8.46 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 A 8.17 4.02 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 0.00 157 I 8.12 3.81 2.03 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.02 0.83 0.00 0.00 158 A 8.35 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 0.00 159 A 8.25 3.91 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 0.00 160 V 7.84 3.34 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 0.28 0.00 0.00 0.88 0.00 0.00 161 K 8.29 4.04 0.00 2.19 1.94 0.00 1.91 0.00 0.00 1.80 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.73 2.02 7.81 162 Q 8.14 4.00 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.74 0.00 163 L 7.69 3.92 0.00 1.59 1.61 0.63 0.80 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 0.00 164 L 7.80 4.00 0.00 1.68 1.66 0.08 0.72 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 0.00 165 A 8.21 4.22 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 0.00 166 K 7.85 4.20 0.00 1.89 1.61 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.39 1.34 7.81 * Residues marked with a * may have inaccurate shift predictions.