NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.9977 8.4181 114.6775 58.4017 64.6253 175.7022 2 V 3.6790 7.6738 120.3199 63.8554 30.7348 173.4404 3 V 3.5756 8.4889 119.9553 66.0293 31.9659 178.9799 4 E 4.0264 7.8486 117.9028 59.1971 29.2881 178.8751 5 L 4.1776 8.8063 121.0639 58.0839 42.1471 179.2818 6 G 3.6926 8.0961 105.7480 47.5429 0.0000 175.9584 7 K 4.0480 7.8818 120.7775 59.6825 32.2021 178.9963 8 M 3.9851 8.1336 118.9370 58.7522 31.8368 179.0150 9 I 3.6428 7.8873 119.3235 64.4578 37.2606 178.3121 10 I 4.5758 7.7505 121.8351 64.2692 36.8037 178.6230 11 Q 4.0839 8.6279 117.4130 58.5554 28.5463 178.1747 12 E 4.2347 8.5213 119.4713 59.2824 30.0604 178.7453 13 T 4.1492 8.1054 108.8162 62.6429 69.5215 175.7921 14 G 3.9438 7.9286 109.0153 45.7171 0.0000 172.7509 *16 K 4.7616 7.7763 117.9282 56.1981 33.1046 174.4229 17 S 4.9946 8.1233 114.7440 56.1372 64.7534 173.0045 18 P 4.4336 0.0000 0.0000 65.5603 31.0403 175.2676 19 F 4.9584 8.4342 120.1023 54.8312 40.2237 173.2087 20 P 4.2056 0.0000 0.0000 62.2802 31.7730 176.3072 21 S 4.2877 7.4380 115.3591 60.8758 62.4216 174.6462 22 Y 5.1235 8.8806 115.4365 57.5952 39.3926 177.0689 23 T 4.0405 8.1761 110.2320 63.5451 69.2395 175.6511 24 S 4.7651 7.7767 115.1759 58.1515 64.1251 172.9395 25 Y 4.2979 8.5380 123.2884 58.3867 39.2222 175.6917 26 G 3.6812 8.6063 118.7881 46.2281 0.0000 172.6484 27 C 4.0504 8.5042 114.6448 60.7181 28.8772 174.9171 28 F 4.9749 8.5017 115.6581 56.0386 40.9703 174.3518 29 C 4.6143 8.2937 119.1729 58.1663 40.0998 174.2810 30 G 3.8058 8.5598 113.1033 45.1773 0.0000 172.1311 31 G 4.3136 8.4848 105.2849 43.2915 0.0000 172.1712 32 G 4.4323 7.8698 106.6306 44.2968 0.0000 173.7169 33 E 4.8326 8.6983 119.8492 56.3840 33.1032 176.0517 34 R 4.3935 7.9199 117.8184 54.9731 31.3252 177.1272 35 G 4.4982 8.7222 111.0547 44.5893 0.0000 171.2383 36 P 4.9052 0.0000 0.0000 61.1562 32.4763 174.6729 37 P 4.7547 0.0000 0.0000 63.1762 31.7432 176.5562 38 L 3.7726 9.4016 121.4359 57.5202 41.9952 176.4588 39 D 4.5303 7.5419 115.0662 51.5882 41.5695 174.7386 40 A 3.9751 8.9710 120.1776 56.2205 18.4859 179.5280 41 T 3.9041 8.0072 113.4663 66.9046 68.5319 175.7824 42 D 4.5351 8.7112 119.7010 57.8740 41.2315 178.7476 43 R 3.8520 8.2172 118.1490 59.2839 29.8696 178.8422 44 C 4.0650 7.9386 116.7751 63.0822 28.0604 175.5086 45 C 4.2746 7.9518 117.5656 59.5041 39.9158 175.7727 46 L 3.4547 7.6855 121.9401 57.9328 41.5290 178.8345 47 A 3.8524 7.9014 120.7585 55.2467 18.2661 179.0013 48 H 3.9311 8.1929 116.8082 59.5455 29.7324 177.3017 49 S 3.9109 8.0029 113.7581 61.7318 62.3388 175.7020 50 C 4.2780 8.2165 119.6034 62.6593 27.8431 175.5538 51 C 4.1170 8.2754 120.8068 62.8172 31.1933 175.3362 52 Y 4.3192 8.1191 118.1760 61.0052 37.1944 177.8042 53 D 4.6715 7.8575 118.2155 55.9507 40.9248 177.3738 54 T 4.5390 7.5029 109.7355 61.0315 69.8783 174.7000 55 L 5.0829 7.9427 119.3906 52.8220 42.4669 175.7919 56 P 4.2396 0.0000 0.0000 65.2221 32.2413 177.6131 *59 D 4.9481 7.8808 117.3525 53.4458 41.1610 175.3407 *61 C 4.9049 7.5193 116.6003 57.6390 41.0576 173.0598 *67 S 4.7802 8.2426 113.5514 57.8947 62.5645 172.6529 68 P 4.0115 0.0000 0.0000 65.4110 31.5591 179.0418 69 K 4.2361 8.1617 118.2618 58.6036 32.2118 178.4163 70 T 4.2421 7.6227 106.6804 62.1452 70.4139 173.7695 71 D 4.3381 8.2146 122.0077 54.1067 41.0667 175.8484 72 R 4.2803 8.4611 126.8572 56.1557 30.7797 175.6614 73 Y 5.0891 7.8543 118.9643 55.3041 41.4197 174.1476 74 K 4.9311 9.6279 120.0479 55.2834 35.4260 174.7943 75 Y 5.2034 8.0143 118.4680 56.2273 41.2775 173.2403 76 K 4.8153 9.3415 118.8125 54.7770 37.2446 175.4018 77 R 5.0741 8.6152 118.8825 54.8494 32.8414 175.4028 78 E 4.5574 9.1773 124.6834 55.4242 31.7425 176.2860 79 N 4.3084 9.8229 121.2052 54.3522 36.0296 175.6902 80 G 3.9814 8.5460 106.7638 45.2426 0.0000 173.8161 81 E 4.5253 7.8573 121.2090 54.8539 31.6798 175.1598 82 I 4.4785 8.2840 126.7561 61.3004 38.0886 175.2915 83 I 4.4304 9.0907 129.2729 59.4322 39.0473 175.2556 84 C 4.6645 8.6874 125.5511 59.6686 28.8959 174.5264 85 E 4.4007 8.2271 120.7902 56.3712 31.2392 177.0458 86 N 4.9843 8.6304 114.2798 53.7973 41.7281 176.1959 87 S 4.2299 8.3464 115.7407 61.4216 63.1725 174.8340 88 T 4.7186 7.5244 108.3879 59.6969 71.7878 174.7621 89 S 3.9509 8.7162 117.9480 61.7400 63.1582 176.8481 *91 C 4.6838 8.0409 117.4046 56.5925 43.3960 175.6917 92 K 4.0308 7.9215 118.2739 59.6367 31.6276 179.0600 93 K 3.7956 8.0216 119.2481 59.6834 32.1835 179.0250 94 R 3.8600 8.6257 118.7799 59.2449 30.0061 179.1958 95 I 3.6036 8.6803 120.5204 64.4686 37.0935 177.9887 96 C 3.2350 7.6174 119.4409 62.2769 31.3252 175.5164 97 E 3.9070 8.1951 120.1633 59.3701 28.8724 179.1409 98 C 4.1795 7.9136 116.4120 63.0589 28.3016 175.9089 99 D 4.4174 8.1694 120.3855 57.1063 40.3203 178.7279 100 K 3.7860 8.1920 119.9888 59.4497 32.1202 178.6383 101 A 3.9468 7.8548 120.9635 55.1884 18.2217 180.0341 102 V 3.4495 7.6396 117.1916 64.7200 31.4952 178.5767 103 A 3.8165 7.9697 121.4937 54.8815 18.1346 179.8287 104 V 3.5373 7.9595 117.0046 66.1322 31.3669 177.8920 105 C 4.0802 8.1443 118.0523 62.0827 31.5160 175.3112 106 L 4.0371 8.0102 121.0843 57.5132 41.0600 179.2048 107 R 3.8599 7.9066 118.6926 59.4526 29.8349 178.4830 108 K 3.9998 8.1375 118.0930 58.6624 32.3386 177.4026 109 N 5.5201 7.4825 116.6102 52.4041 39.3302 176.7843 110 L 4.2252 7.7907 124.3122 57.4985 41.7499 178.6417 111 N 4.5912 8.2960 115.8628 54.8317 37.5568 176.0060 112 T 4.6098 7.7810 107.3700 61.0320 69.4677 173.1690 113 Y 4.0041 8.0327 124.2637 58.2207 39.2167 174.4072 114 N 4.6222 8.9157 126.4334 51.2201 40.1491 174.4180 115 K 3.8529 8.7812 127.7773 59.8987 32.1107 178.4078 116 K 2.5644 7.9895 118.2446 58.7270 31.8032 178.0806 117 Y 4.5413 7.2355 115.4920 59.2812 37.4874 176.7785 118 T 4.4163 7.1831 114.0403 62.9394 68.2110 173.8804 119 Y 4.7656 7.2576 119.3307 56.0054 38.1081 174.9595 120 Y 3.8816 7.6558 117.1219 56.9485 39.1481 174.2004 121 P 3.7381 0.0000 0.0000 62.8953 31.8021 177.2751 122 N 4.2507 8.4763 120.2235 55.6650 38.6095 176.2650 *124 F 5.3158 7.7802 111.4591 56.2454 39.6334 175.9081 125 W 4.5866 8.1616 122.5758 60.2724 29.3571 177.4123 126 C 4.4409 7.9495 114.9289 59.8337 27.2487 173.8355 127 K 4.5684 7.8123 112.8052 56.1880 32.8312 177.0301 128 G 4.1940 7.6392 107.6946 44.9350 0.0000 173.6613 129 D 4.9261 8.4794 118.8603 52.0011 40.9754 176.4500 130 I 3.9602 8.3666 119.8973 61.4795 37.2971 175.1710 131 E 4.2303 9.0066 126.9602 55.6019 30.4950 175.7517 132 K 4.3460 8.2968 124.3978 55.7791 33.6029 176.7048 133 C 4.2364 8.4275 117.7618 60.0876 28.2289 173.8408 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 1 S 8.42 5.00 0.00 4.28 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 2 V 7.67 3.68 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 1.04 0.00 0.00 3 V 8.49 3.58 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 1.04 0.00 0.00 0.93 0.00 0.00 4 E 7.85 4.03 0.00 1.66 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 2.21 0.00 5 L 8.81 4.18 0.00 2.02 2.00 0.86 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 6 G 8.10 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 K 7.88 4.05 0.00 2.15 2.03 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.51 1.74 7.81 8 M 8.13 3.99 0.00 1.97 2.25 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.08 0.00 9 I 7.89 3.64 2.06 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 1.38 0.76 1.08 0.00 0.00 10 I 7.75 4.58 2.13 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.93 0.95 0.00 0.00 11 Q 8.63 4.08 0.00 2.23 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.91 0.00 0.00 0.00 0.00 0.00 2.46 2.53 0.00 12 E 8.52 4.23 0.00 1.96 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 0.00 2.43 2.40 0.00 13 T 8.11 4.15 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 14 G 7.93 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 0.00 0.00 0.00 *16 K 7.78 4.76 0.00 1.88 1.65 0.00 1.27 0.00 0.00 1.15 0.00 0.00 2.52 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.20 1.25 7.81 17 S 8.12 4.99 0.00 4.06 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 18 P 0.00 4.43 0.00 2.40 2.53 0.00 3.78 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 2.21 2.11 0.00 19 F 8.43 4.96 0.00 3.08 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.21 0.00 1.80 0.67 0.00 3.56 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 21 S 7.44 4.29 0.00 3.81 3.42 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 22 Y 8.88 5.12 0.00 3.09 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 23 T 8.18 4.04 4.46 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 1.43 0.00 0.00 24 S 7.78 4.77 0.00 3.84 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 25 Y 8.54 4.30 0.00 3.28 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.61 3.68 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 0.00 0.00 0.00 27 C 8.50 4.05 0.00 2.43 2.44 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 28 F 8.50 4.97 0.00 3.11 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 29 C 8.29 4.61 0.00 3.37 3.48 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 30 G 8.56 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 0.00 0.00 0.00 31 G 8.48 4.31 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 0.00 32 G 7.87 4.43 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 0.00 33 E 8.70 4.83 0.00 1.92 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 34 R 7.92 4.39 0.00 1.70 1.98 0.00 3.17 0.00 0.00 3.32 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 35 G 8.72 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.91 0.00 2.13 2.02 0.00 3.65 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 1.81 1.84 0.00 37 P 0.00 4.75 0.00 2.21 2.15 0.00 3.78 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 1.96 1.90 0.00 38 L 9.40 3.77 0.00 1.19 0.80 0.18 0.50 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 39 D 7.54 4.53 0.00 2.91 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 40 A 8.97 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 41 T 8.01 3.90 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 0.62 0.00 0.00 42 D 8.71 4.54 0.00 3.13 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 43 R 8.22 3.85 0.00 2.06 1.89 0.00 3.14 0.00 0.00 3.11 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.84 0.00 44 C 7.94 4.06 0.00 3.08 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 45 C 7.95 4.27 0.00 3.24 3.33 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 46 L 7.69 3.45 0.00 0.69 1.41 0.25 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 47 A 7.90 3.85 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 48 H 8.19 3.93 0.00 3.21 3.37 0.00 5.80 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.00 3.91 0.00 3.92 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 50 C 8.22 4.28 0.00 3.09 2.92 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 51 C 8.28 4.12 0.00 3.11 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 Y 8.12 4.32 0.00 3.11 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 53 D 7.86 4.67 0.00 2.84 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 T 7.50 4.54 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 1.31 0.00 0.00 55 L 7.94 5.08 0.00 1.59 1.56 0.82 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.24 0.00 2.21 2.31 0.00 3.91 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.95 0.00 *59 D 7.88 4.95 0.00 2.86 2.97 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 *61 C 7.52 4.90 0.00 2.94 3.08 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 *67 S 8.24 4.78 0.00 3.89 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 68 P 0.00 4.01 0.00 0.49 1.17 0.00 3.61 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.30 0.00 69 K 8.16 4.24 0.00 1.88 1.97 0.00 1.70 0.00 0.00 1.94 0.00 0.00 3.07 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.69 1.59 7.81 70 T 7.62 4.24 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 1.23 0.00 0.00 71 D 8.21 4.34 0.00 2.72 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 72 R 8.46 4.28 0.00 1.83 1.79 0.00 3.70 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.54 0.00 73 Y 7.85 5.09 0.00 3.01 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 74 K 9.63 4.93 0.00 1.73 1.74 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.39 7.81 75 Y 8.01 5.20 0.00 3.05 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 76 K 9.34 4.82 0.00 1.71 1.76 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.78 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.55 7.81 77 R 8.62 5.07 0.00 1.70 1.89 0.00 3.31 0.00 0.00 3.31 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.76 0.00 78 E 9.18 4.56 0.00 1.97 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 79 N 9.82 4.31 0.00 2.88 2.91 0.00 0.00 7.25 7.65 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 80 G 8.55 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 81 E 7.86 4.53 0.00 2.07 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 82 I 8.28 4.48 1.77 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.61 0.61 0.00 0.00 83 I 9.09 4.43 1.93 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 1.39 1.21 0.93 0.00 0.00 84 C 8.69 4.66 0.00 2.81 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 85 E 8.23 4.40 0.00 1.97 2.25 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 2.51 2.33 0.00 86 N 8.63 4.98 0.00 2.80 2.78 0.00 0.00 6.58 7.57 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 87 S 8.35 4.23 0.00 4.00 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 88 T 7.52 4.72 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 1.22 0.00 0.00 89 S 8.72 3.95 0.00 4.01 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 0.00 *91 C 8.04 4.68 0.00 3.03 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 K 7.92 4.03 0.00 1.97 1.97 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.58 1.52 7.81 93 K 8.02 3.80 0.00 1.94 1.95 0.00 1.46 0.00 0.00 1.79 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.48 7.81 94 R 8.63 3.86 0.00 1.97 1.92 0.00 3.16 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 95 I 8.68 3.60 1.79 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.50 1.02 0.00 0.00 96 C 7.62 3.23 0.00 1.89 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 97 E 8.20 3.91 0.00 2.10 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 2.43 2.45 0.00 98 C 7.91 4.18 0.00 3.41 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 D 8.17 4.42 0.00 2.96 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 0.00 100 K 8.19 3.79 0.00 1.77 1.90 0.00 1.64 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.37 7.81 101 A 7.85 3.95 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 0.00 102 V 7.64 3.45 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.71 0.00 0.00 103 A 7.97 3.82 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 0.00 104 V 7.96 3.54 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 1.03 0.00 0.00 0.92 0.00 0.00 105 C 8.14 4.08 0.00 3.09 2.98 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 0.00 106 L 8.01 4.04 0.00 1.70 1.47 0.06 0.37 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 0.00 107 R 7.91 3.86 0.00 1.95 2.08 0.00 3.09 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 108 K 8.14 4.00 0.00 1.77 2.03 0.00 1.81 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.48 7.81 109 N 7.48 5.52 0.00 2.73 2.81 0.00 0.00 6.94 8.05 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 0.00 110 L 7.79 4.23 0.00 1.65 1.72 0.98 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 111 N 8.30 4.59 0.00 2.89 3.10 0.00 0.00 5.79 7.22 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 0.00 112 T 7.78 4.61 4.31 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 1.25 0.00 0.00 113 Y 8.03 4.00 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 0.00 114 N 8.92 4.62 0.00 2.30 1.65 0.00 0.00 6.39 6.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 K 8.78 3.85 0.00 2.01 1.83 0.00 1.90 0.00 0.00 1.91 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.66 1.68 7.81 116 K 7.99 2.56 0.00 1.62 1.44 0.00 1.60 0.00 0.00 1.58 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.33 7.81 117 Y 7.24 4.54 0.00 1.94 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 0.00 0.00 0.00 0.00 118 T 7.18 4.42 4.39 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 1.44 0.00 0.00 119 Y 7.26 4.77 0.00 2.88 2.80 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 0.00 120 Y 7.66 3.88 0.00 2.80 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 0.00 121 P 0.00 3.74 0.00 0.49 0.79 0.00 2.20 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 1.45 0.00 122 N 8.48 4.25 0.00 2.71 2.88 0.00 0.00 6.86 8.13 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 *124 F 7.78 5.32 0.00 3.23 3.27 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 0.00 125 W 8.16 4.59 0.00 3.37 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 0.00 126 C 7.95 4.44 0.00 2.92 2.92 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 0.00 127 K 7.81 4.57 0.00 1.80 1.84 0.00 1.85 0.00 0.00 1.78 0.00 0.00 3.07 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.40 1.50 7.81 128 G 7.64 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 D 8.48 4.93 0.00 2.71 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 0.00 130 I 8.37 3.96 1.90 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 1.25 0.86 0.97 0.00 0.00 131 E 9.01 4.23 0.00 2.16 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 2.27 2.37 0.00 132 K 8.30 4.35 0.00 1.77 1.70 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.41 1.45 7.81 133 C 8.43 4.24 0.00 2.93 2.80 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 * Residues marked with a * may have inaccurate shift predictions.