NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 K 4.3350 8.3149 121.7945 55.3716 32.8624 175.3033 6 P 4.3052 0.0000 0.0000 62.0684 33.0256 174.0436 7 I 4.9344 9.0194 124.2342 59.6561 40.7805 173.9957 8 I 4.7551 8.6307 128.3590 59.4378 39.6812 174.9252 9 G 4.7277 8.8082 114.8318 44.1297 0.0000 172.3899 10 V 5.0155 8.3238 123.9080 61.1983 33.5675 174.7077 11 M 4.8235 9.2941 126.7303 53.0349 35.7027 175.0374 12 G 4.5604 8.3330 108.8354 45.0940 0.0000 170.2730 13 P 4.6119 0.0000 0.0000 62.3030 33.3266 176.6763 14 G 4.0201 8.1633 107.7686 44.4940 0.0000 174.1442 15 K 3.8773 8.6827 119.1543 59.4467 32.1891 178.5785 16 A 4.1747 7.9774 119.7510 54.1056 18.5543 177.4123 17 D 4.7654 7.9091 113.3577 54.7346 42.8205 176.5581 18 T 4.3381 7.6731 116.9087 62.5660 69.3960 174.5226 19 A 4.4166 8.5598 128.0425 51.2927 20.7329 177.8354 20 E 3.9036 8.7399 121.9665 59.5522 29.5920 179.1720 21 N 4.3605 8.1226 116.4274 56.0956 37.3467 177.0133 22 Q 3.9664 8.0524 119.8739 58.5740 28.8637 178.2719 23 L 3.9595 7.9502 120.0244 58.0223 41.7175 179.9194 24 V 3.5431 7.6821 117.3968 66.4085 31.5225 177.8245 25 M 4.0397 8.2587 118.3057 58.3818 31.6922 178.7074 26 A 3.9732 8.1272 120.8718 55.0881 18.5576 179.0556 27 N 4.4147 8.0976 115.5739 57.1407 39.0825 176.9408 28 E 3.9611 8.1619 119.8552 59.0631 29.4562 179.0241 29 L 4.0305 8.4664 121.0306 58.2265 42.3306 179.0722 30 G 3.7748 8.2654 105.7215 47.9074 0.0000 175.5631 31 K 4.0685 8.2260 120.7564 59.5304 32.0110 179.5630 32 Q 4.1883 7.9495 119.3751 58.2257 28.6676 178.7973 33 I 3.8601 8.0579 120.8856 64.5129 37.1031 178.2552 34 A 4.0203 7.9002 121.4076 55.3639 18.1023 179.6491 35 T 3.8793 8.0969 107.7823 64.2184 68.7732 175.6312 36 H 4.2167 7.2564 117.3296 55.0855 28.7023 175.4806 37 G 3.7657 7.4415 108.8638 45.6451 0.0000 173.4079 38 W 5.2817 7.3373 117.5960 54.6919 31.7717 176.0107 39 I 4.3780 8.9464 123.7736 60.9391 38.4419 174.5946 40 L 5.0885 8.8120 128.5116 53.5632 44.1669 174.7281 41 L 5.2142 8.6440 127.8929 53.8584 45.0133 175.0826 42 T 4.6868 8.5796 120.5430 61.1267 71.2153 171.9131 43 G 4.0787 8.7456 108.8137 46.2416 0.0000 174.3451 44 G 3.9955 9.6412 112.0021 46.8499 0.0000 174.0893 45 R 4.4711 7.7731 116.9871 58.2289 32.0549 176.0931 46 S 3.8325 7.3057 110.3062 58.1171 62.7080 174.1705 47 L 4.6668 8.5957 126.5777 54.6609 43.2969 176.2141 48 G 4.2350 7.4418 111.1329 44.2341 0.0000 175.8971 49 V 3.5595 7.9447 125.1413 66.4501 31.0873 176.8329 50 M 4.0779 7.9619 117.4839 58.4861 31.8557 178.0052 51 H 4.2152 7.7788 118.6340 59.3687 29.9711 177.1867 52 E 3.8860 8.2483 120.1206 59.2121 29.2043 179.1156 53 A 4.1522 8.1461 120.8029 55.5277 18.4148 179.4133 54 M 3.9785 8.0453 117.0339 58.6468 31.9995 179.0304 55 K 3.9429 8.3492 118.9305 59.4304 32.1284 179.3729 56 G 3.6096 8.3154 105.6870 47.8230 0.0000 175.1670 57 A 4.1555 8.2240 124.3229 54.8473 18.3814 179.9355 58 K 3.9091 8.2595 116.8121 59.6545 31.9392 179.2280 59 E 3.9743 8.3878 118.4443 58.5164 29.4431 177.5186 60 A 4.6672 7.6021 118.9307 51.2964 19.8353 176.9223 61 G 3.8407 7.9140 106.9302 48.0293 0.0000 174.9945 62 G 4.0591 8.1828 106.4561 45.0863 0.0000 174.2900 63 T 4.7860 8.3516 117.5099 62.9593 70.2332 173.9199 64 T 5.0525 8.8857 116.2756 59.9347 71.9223 172.8470 65 I 4.8626 9.1019 126.5398 59.6133 39.6388 174.5909 66 G 4.4205 8.8831 114.8924 44.5308 0.0000 172.3246 67 V 4.9248 8.9235 125.2352 61.4705 33.8858 174.6727 68 L 4.9941 8.5283 126.1572 51.7641 46.1623 176.6061 69 P 4.5727 0.0000 0.0000 62.9006 29.4045 178.2755 *72 D 4.4100 8.2272 117.3984 53.0401 42.4261 178.3993 73 T 4.3371 7.9099 115.2654 66.7068 69.6366 175.3155 74 S 4.3801 7.9879 115.8472 58.9251 65.8603 177.8171 75 E 4.0455 8.8793 118.5861 56.9036 29.0011 175.7543 76 I 4.6578 7.6802 113.9642 61.9230 36.2580 172.8183 77 S 4.9217 8.4556 113.9934 57.9378 64.2634 174.2802 78 D 4.4554 8.5940 124.3538 56.2986 40.9632 177.7023 79 A 4.0876 7.9485 121.5362 53.9844 18.6057 177.6949 80 V 3.9622 7.3046 116.7825 62.6279 32.2678 175.1660 81 D 4.5320 8.6762 127.5133 56.6575 41.7290 177.2927 82 I 4.2935 7.7932 125.0212 58.9227 38.4853 172.7489 83 P 4.8169 0.0000 0.0000 62.2322 32.1659 176.3571 84 I 4.2714 8.6776 127.1972 59.7387 38.5971 174.7114 85 V 4.6560 8.2811 127.8245 61.9245 31.8546 175.4289 86 T 4.2566 9.3319 118.5243 61.2713 70.0201 176.5951 87 G 4.0066 8.0950 109.4875 45.8299 0.0000 174.9480 88 L 4.4287 8.0418 117.8831 54.3811 42.2870 178.9165 89 G 4.1737 7.7685 112.1771 46.8456 0.0000 176.0950 90 S 4.2354 8.9175 118.8981 58.7706 63.2741 173.5773 91 A 4.3663 7.8903 125.0907 50.9992 20.4323 177.0449 92 R 4.2148 8.1661 118.3171 55.6144 29.5263 177.2085 93 D 4.7709 8.2125 131.2959 53.5944 39.6006 178.8740 94 N 4.4855 7.7203 112.6959 52.9960 37.7991 177.2476 95 I 3.7394 7.6969 125.0691 65.3052 37.0841 177.0509 96 N 4.2068 8.1984 117.3269 56.5872 38.5968 176.1000 97 A 3.9435 7.9503 120.6904 55.6897 18.5080 179.2088 98 L 4.1285 7.4937 115.4179 57.2164 41.9329 178.9663 99 S 4.4342 8.1529 113.0276 58.3084 63.5778 174.3890 100 S 4.7457 7.0010 117.9383 57.2320 64.1360 174.1230 101 N 4.5066 9.0397 122.2253 56.0368 38.7879 175.8243 102 V 4.4607 7.4671 116.4961 60.9280 35.8387 173.4191 103 L 5.1101 8.5274 127.3802 53.1546 45.2679 175.0397 104 V 4.8651 8.9852 125.6629 61.0481 34.4071 173.8002 105 A 5.0025 8.7290 130.1250 50.7856 20.6533 175.8101 106 V 4.4976 8.7087 123.6133 62.3777 33.2519 176.7099 107 G 4.0007 9.9099 118.8512 45.5101 0.0000 171.1804 108 M 4.6886 7.6924 115.6400 53.5616 35.0998 174.5682 109 G 4.0097 8.2058 108.9960 42.4544 0.0000 172.7265 110 P 4.3800 0.0000 0.0000 65.6027 31.3628 178.8902 111 G 3.7928 8.1949 103.7251 48.5578 0.0000 175.5682 112 T 3.9179 7.9382 117.9283 65.9564 68.6067 176.4867 113 A 4.2459 8.3101 122.5920 55.1554 18.4204 179.5995 114 A 4.0086 8.0955 119.2170 55.4853 18.5138 179.7791 115 E 3.9163 8.1009 116.9065 59.4745 29.5164 179.7999 116 V 3.3903 7.9897 118.2710 65.8242 31.4255 178.0104 117 A 4.1166 7.9881 120.3512 55.0498 18.1928 179.5283 118 L 3.9210 7.9700 117.3210 57.8449 41.7083 179.6036 119 A 3.9367 7.7613 120.1149 55.1227 18.3488 179.4692 120 L 3.8638 7.8079 117.4550 57.9892 41.5247 179.5490 121 K 3.8880 8.1475 118.0864 59.5375 32.1020 177.6584 122 A 4.3259 8.0464 117.9378 51.3790 18.3422 177.1472 123 K 3.8254 8.1138 116.6990 57.9841 30.2430 175.2756 124 K 4.7303 7.7103 117.6142 53.8336 34.0691 174.9332 125 P 4.6710 0.0000 0.0000 62.9917 32.9409 175.4018 126 V 4.8651 8.6122 115.1086 59.6434 35.4118 174.5493 127 V 4.6635 8.9521 125.4892 61.4731 33.6651 174.4515 128 L 4.9115 9.3193 128.2921 53.1372 43.9447 174.9493 129 L 4.6405 9.0743 127.8635 53.6006 44.0672 176.8943 130 G 3.9178 8.8896 114.0845 46.5338 0.0000 173.2072 131 T 4.3651 7.6649 108.5765 60.5059 70.4284 175.0964 132 Q 4.4314 8.1761 121.5966 54.4957 31.7739 175.0540 133 P 4.4242 0.0000 0.0000 65.9234 31.3844 178.3735 134 E 3.9170 8.3560 116.9974 59.7450 29.3631 179.4470 135 A 4.0345 7.9522 119.6854 55.1067 18.7409 179.1633 136 E 4.0430 8.2328 117.1646 59.7273 29.4825 179.9428 137 K 4.0294 8.4175 118.5613 59.1684 32.1621 179.1646 138 F 4.0912 8.0406 120.5743 61.5291 39.3378 177.2781 139 F 3.9982 8.1580 117.2924 60.7463 38.4490 177.8340 140 T 3.9082 7.6853 114.4124 66.6090 68.2939 176.4886 141 S 4.1952 7.9691 115.5301 61.1509 62.9353 176.5161 142 L 4.1845 7.3358 121.9149 56.3088 42.3908 177.9305 143 D 4.4488 7.9749 122.7378 52.8791 42.0877 175.1584 144 A 4.0639 8.3792 128.7325 54.2091 18.7644 179.0910 145 G 3.7378 8.1322 103.4507 47.2881 0.0000 174.1293 146 L 4.5250 7.9012 118.5823 54.4687 43.6664 176.0436 147 V 4.6920 7.5821 119.2924 61.3763 33.2691 174.4482 148 H 4.9078 9.0550 124.6891 54.0258 31.9145 172.5984 149 V 4.6292 8.5795 123.3916 61.5656 32.6212 174.7305 150 A 4.8693 8.3850 128.3701 50.2745 21.0481 176.0991 151 A 4.2205 8.7575 123.2173 54.2624 19.7068 176.7510 152 D 4.6262 7.4246 113.0719 51.4691 42.3039 175.9993 153 V 3.5457 8.5689 117.0640 66.3084 31.4214 177.6201 154 A 4.1036 8.1329 120.1632 55.2237 18.1857 179.5763 155 G 3.5836 8.1417 103.9100 47.9496 0.0000 175.6538 156 A 4.0359 8.0778 123.3603 55.0723 18.3402 179.8727 157 I 3.8345 8.2589 118.4284 64.2847 37.0498 178.5526 158 A 4.0009 8.2857 121.6239 55.1139 18.2595 179.4764 159 A 3.8550 8.1540 119.3466 55.2980 18.5430 180.0482 160 V 3.3959 7.7536 116.7273 65.8520 31.4147 178.4334 161 K 4.0609 8.3781 118.3056 59.7075 31.7916 179.0002 162 Q 4.0123 7.9906 116.9919 59.3799 28.4664 179.3420 163 L 4.0835 7.9079 119.5040 57.7789 41.4181 179.6171 164 L 3.9312 7.5485 117.2965 57.4066 41.5177 178.8705 165 A 4.1993 7.6938 122.8477 55.6508 18.3732 178.1340 166 K 4.1336 7.5615 121.2039 54.8929 31.8053 178.6239 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 5 K 8.31 4.34 0.00 1.75 1.86 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.37 1.61 7.81 6 P 0.00 4.31 0.00 1.84 1.71 0.00 3.84 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 2.22 2.19 0.00 7 I 9.02 4.93 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 1.36 0.81 0.91 0.00 0.00 8 I 8.63 4.76 1.92 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.86 0.88 0.00 0.00 9 G 8.81 4.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.32 5.02 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 0.82 0.00 0.00 0.95 0.00 0.00 11 M 9.29 4.82 0.00 1.97 1.88 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 2.47 2.59 0.00 12 G 8.33 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 4.61 0.00 2.14 2.22 0.00 3.76 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.99 0.00 14 G 8.16 4.02 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 0.00 0.00 0.00 15 K 8.68 3.88 0.00 1.63 1.85 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.45 7.81 16 A 7.98 4.17 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 17 D 7.91 4.77 0.00 2.67 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 T 7.67 4.34 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 8.56 4.42 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 20 E 8.74 3.90 0.00 2.09 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 2.39 2.45 0.00 21 N 8.12 4.36 0.00 2.96 3.07 0.00 0.00 6.24 7.72 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 22 Q 8.05 3.97 0.00 2.32 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.86 0.00 0.00 0.00 0.00 0.00 2.46 2.47 0.00 23 L 7.95 3.96 0.00 1.94 1.75 0.98 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 24 V 7.68 3.54 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 1.04 0.00 0.00 0.98 0.00 0.00 25 M 8.26 4.04 0.00 2.11 2.23 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 2.63 2.58 0.00 26 A 8.13 3.97 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 27 N 8.10 4.41 0.00 2.90 2.96 0.00 0.00 7.28 7.81 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 28 E 8.16 3.96 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 2.53 2.46 0.00 29 L 8.47 4.03 0.00 1.82 1.87 0.97 0.97 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 30 G 8.27 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 31 K 8.23 4.07 0.00 1.98 1.86 0.00 1.66 0.00 0.00 1.63 0.00 0.00 3.14 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.59 1.70 7.81 32 Q 7.95 4.19 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.53 0.00 33 I 8.06 3.86 2.13 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.32 1.14 0.00 0.00 34 A 7.90 4.02 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 8.10 3.88 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 1.22 0.00 0.00 36 H 7.26 4.22 0.00 1.40 1.81 0.00 5.87 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 7.44 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 38 W 7.34 5.28 0.00 3.52 3.04 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 39 I 8.95 4.38 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 1.16 1.01 1.00 0.00 0.00 40 L 8.81 5.09 0.00 1.82 1.56 0.96 0.50 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 8.64 5.21 0.00 1.79 1.47 0.99 0.54 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 42 T 8.58 4.69 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 1.27 0.00 0.00 43 G 8.75 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 44 G 9.64 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 45 R 7.77 4.47 0.00 1.76 1.94 0.00 3.29 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 46 S 7.31 3.83 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 8.60 4.67 0.00 1.65 1.64 0.86 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 48 G 7.44 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 0.00 0.00 0.00 0.00 49 V 7.94 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 1.08 0.00 0.00 0.94 0.00 0.00 50 M 7.96 4.08 0.00 2.12 2.11 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 7.78 4.22 0.00 3.50 3.48 0.00 5.78 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 52 E 8.25 3.89 0.00 2.20 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 2.50 2.48 0.00 53 A 8.15 4.15 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 54 M 8.05 3.98 0.00 2.09 2.34 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.61 0.00 55 K 8.35 3.94 0.00 1.85 1.82 0.00 1.62 0.00 0.00 1.59 0.00 0.00 2.85 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.33 1.36 7.81 56 G 8.32 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.22 4.16 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 58 K 8.26 3.91 0.00 1.93 1.87 0.00 1.74 0.00 0.00 1.58 0.00 0.00 3.03 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.54 1.64 7.81 59 E 8.39 3.97 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 60 A 7.60 4.67 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 61 G 7.91 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 62 G 8.18 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 T 8.35 4.79 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 8.89 5.05 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 1.23 0.00 0.00 65 I 9.10 4.86 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 1.17 0.84 0.98 0.00 0.00 66 G 8.88 4.42 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 0.00 67 V 8.92 4.92 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 0.95 0.00 0.00 0.93 0.00 0.00 68 L 8.53 4.99 0.00 1.66 1.48 0.98 0.99 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 69 P 0.00 4.57 0.00 2.07 2.05 0.00 3.62 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 2.11 2.09 0.00 *72 D 8.23 4.41 0.00 2.72 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 T 7.91 4.34 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 74 S 7.99 4.38 0.00 3.57 3.57 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 75 E 8.88 4.05 0.00 2.16 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 2.11 1.86 0.00 76 I 7.68 4.66 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 1.30 1.24 0.91 0.00 0.00 77 S 8.46 4.92 0.00 3.83 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 78 D 8.59 4.46 0.00 2.72 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 A 7.95 4.09 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 80 V 7.30 3.96 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.95 0.00 0.00 81 D 8.68 4.53 0.00 2.86 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 7.79 4.29 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 0.66 0.92 0.00 0.00 83 P 0.00 4.82 0.00 1.94 2.01 0.00 3.65 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 2.03 2.12 0.00 84 I 8.68 4.27 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 1.12 1.25 0.91 0.00 0.00 85 V 8.28 4.66 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 9.33 4.26 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 87 G 8.09 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 88 L 8.04 4.43 0.00 1.88 1.69 1.01 0.94 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 89 G 7.77 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 8.92 4.24 0.00 4.00 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 91 A 7.89 4.37 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 92 R 8.17 4.21 0.00 1.77 1.89 0.00 3.30 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.78 0.00 93 D 8.21 4.77 0.00 2.75 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 N 7.72 4.49 0.00 2.94 3.04 0.00 0.00 6.12 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 95 I 7.70 3.74 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 1.40 0.49 0.91 0.00 0.00 96 N 8.20 4.21 0.00 2.74 2.79 0.00 0.00 7.06 7.93 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 97 A 7.95 3.94 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 98 L 7.49 4.13 0.00 1.73 1.72 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 99 S 8.15 4.43 0.00 3.81 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 0.00 100 S 7.00 4.75 0.00 3.81 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 0.00 101 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 P 0.00 4.38 0.00 2.18 2.13 0.00 3.63 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 2.17 0.00 111 G 8.19 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 0.00 112 T 7.94 3.92 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 1.26 0.00 0.00 113 A 8.31 4.25 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.10 4.01 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 0.00 115 E 8.10 3.92 0.00 2.19 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 2.33 2.44 0.00 116 V 7.99 3.39 1.63 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 0.02 0.00 0.00 0.76 0.00 0.00 117 A 7.99 4.12 1.63 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 2.01 1.96 0.00 126 V 8.61 4.87 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.80 0.00 0.00 127 V 8.95 4.66 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 1.01 0.00 0.00 0.90 0.00 0.00 128 L 9.32 4.91 0.00 1.60 1.61 1.04 0.38 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 9.07 4.64 0.00 1.71 1.67 1.02 0.94 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 0.00 130 G 8.89 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 0.00 0.00 0.00 131 T 7.66 4.37 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 1.28 0.00 0.00 132 Q 8.18 4.43 0.00 2.20 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.94 0.00 0.00 0.00 0.00 0.00 2.45 2.40 0.00 133 P 0.00 4.42 0.00 2.17 2.11 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 2.12 2.19 0.00 134 E 8.36 3.92 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 135 A 7.95 4.03 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 0.00 136 E 8.23 4.04 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 2.39 2.52 0.00 137 K 8.42 4.03 0.00 1.92 1.88 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.46 7.81 138 F 8.04 4.09 0.00 2.95 2.79 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 0.00 139 F 8.16 4.00 0.00 3.32 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 0.00 140 T 7.69 3.91 4.30 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 1.20 0.00 0.00 141 S 7.97 4.20 0.00 3.95 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 0.00 142 L 7.34 4.18 0.00 1.70 1.65 0.89 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 143 D 7.97 4.45 0.00 2.61 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 A 8.38 4.06 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 0.00 145 G 8.13 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 0.00 0.00 0.00 146 L 7.90 4.53 0.00 1.72 1.64 0.96 0.80 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 0.00 147 V 7.58 4.69 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 0.82 0.00 0.00 0.99 0.00 0.00 148 H 9.05 4.91 0.00 3.13 3.15 0.00 5.85 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 0.00 149 V 8.58 4.63 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.97 0.00 0.00 150 A 8.38 4.87 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 8.76 4.22 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 7.42 4.63 0.00 2.83 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 0.00 153 V 8.57 3.55 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 1.01 0.00 0.00 154 A 8.13 4.10 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 8.14 3.58 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 0.00 156 A 8.08 4.04 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 0.00 157 I 8.26 3.83 2.03 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.06 0.82 0.00 0.00 158 A 8.29 4.00 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 0.00 159 A 8.15 3.86 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 0.00 160 V 7.75 3.40 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.00 0.00 0.97 0.00 0.00 161 K 8.38 4.06 0.00 2.09 1.95 0.00 1.87 0.00 0.00 1.81 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.94 1.99 7.81 162 Q 7.99 4.01 0.00 2.11 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.97 0.00 0.00 0.00 0.00 0.00 2.41 2.61 0.00 163 L 7.91 4.08 0.00 1.76 1.61 0.80 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 164 L 7.55 3.93 0.00 1.57 1.63 0.13 0.31 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 0.00 165 A 7.69 4.20 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 0.00 166 K 7.56 4.13 0.00 1.82 1.59 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.39 1.25 7.81 * Residues marked with a * may have inaccurate shift predictions.