NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 C 4.5252 8.4544 120.6422 56.7005 43.5076 171.5204 5 H 4.5238 8.4660 124.4087 52.4021 29.8285 172.1822 6 I 4.2812 8.2485 122.3274 60.9643 39.4893 177.1955 7 A 3.9353 7.6490 124.3887 54.5505 18.2761 179.1742 8 Q 3.9798 7.6769 112.8062 58.2585 28.9394 176.8962 9 F 4.9820 7.8540 115.9763 57.1455 39.2629 176.7762 10 K 4.1548 7.8261 121.8496 58.5520 31.9828 177.5854 11 S 4.8344 7.8539 111.0607 56.1238 65.4823 173.0084 12 L 4.8225 8.1386 121.9586 52.4121 44.4942 177.0504 13 S 4.2844 8.2284 117.2023 57.7092 64.2307 173.7841 14 P 4.3657 0.0000 0.0000 65.6255 30.9313 178.4096 15 Q 3.9835 8.0418 119.8521 59.5138 28.8803 178.4714 16 E 4.1251 8.1974 118.8055 59.2889 29.7703 179.0188 17 L 4.1145 7.9958 119.0947 58.1564 41.6447 179.5129 18 Q 4.0701 8.4431 118.9453 58.8167 28.9847 178.3456 19 A 4.0291 7.6283 121.5403 55.2337 18.5387 179.6427 20 F 3.9553 8.7822 116.4820 60.2203 38.8667 177.6444 21 K 4.1093 8.1620 119.0579 59.0647 31.9809 178.8781 22 R 4.0653 7.9206 117.9403 58.2879 29.8545 178.7505 23 A 4.0308 7.8434 120.6858 54.8053 18.8949 179.3449 24 K 3.8875 8.3850 118.4868 59.7694 32.1169 178.7998 25 D 4.3338 8.2363 118.9232 57.3466 40.8815 178.5370 26 A 4.0060 7.7399 121.3937 55.0516 18.3327 179.5528 27 L 3.9228 8.2776 117.8561 58.0310 41.8528 179.6613 28 E 4.0254 8.1136 118.0240 59.5651 29.2680 179.0898 29 E 4.0455 8.1532 117.8766 59.2617 29.9123 178.5063 30 S 4.2522 8.0174 113.4059 61.1829 62.2254 176.0644 31 L 4.1356 7.5657 120.5502 57.5235 41.3443 178.8821 32 L 4.0923 7.3128 117.6163 56.7172 42.1744 178.0173 33 L 3.9469 7.3439 119.1641 54.9318 42.4134 174.4324 34 K 4.2533 8.1781 126.2718 56.6696 31.6289 174.7940 35 D 4.9825 8.4462 125.0926 53.1993 44.7370 175.0649 36 C 4.9584 8.2681 117.9030 58.1761 31.0674 171.6599 37 K 4.8016 8.1769 119.0196 55.9326 34.7500 176.0481 38 C 5.1061 8.5913 116.1101 56.4638 42.5149 173.7530 39 R 4.2393 8.6487 119.6846 57.3651 30.6390 177.6052 40 S 4.6959 8.0352 112.3057 56.2429 65.4424 174.1082 41 R 4.1179 8.4586 123.5517 55.8813 29.9092 176.6368 42 L 3.7131 8.5830 123.9161 57.2234 41.8585 178.2653 43 F 5.0921 7.4796 116.5293 54.4446 38.8347 172.4497 44 P 4.4978 0.0000 0.0000 62.5327 32.1068 178.2239 45 R 4.1636 8.8013 121.9191 59.3228 30.1847 178.0413 46 T 4.0786 8.0749 106.3576 62.6025 69.0787 173.6716 47 W 4.5343 8.0652 132.9882 55.4978 32.6503 173.8633 48 D 4.6706 7.2980 123.3125 51.8136 44.4229 176.0700 49 L 3.3726 7.8084 121.3574 57.3296 41.9315 179.7316 50 R 3.8661 7.7995 116.5960 59.3864 30.0937 177.6711 51 Q 3.9215 7.0115 115.0689 58.6051 28.8386 177.5581 52 L 4.0932 7.5100 116.8533 53.7798 42.5222 176.9114 53 Q 3.7684 8.8762 122.4442 57.0924 27.7412 181.0864 54 V 2.6833 7.3153 116.1010 61.3641 34.0397 177.0664 55 R 3.9741 8.0641 124.3516 59.9929 29.6026 178.4349 56 E 4.2801 8.7216 116.5578 57.2501 29.4566 179.0226 57 R 3.9083 8.2668 120.0244 58.7951 30.1888 176.7752 58 P 4.2579 0.0000 0.0000 65.6315 31.3100 178.5367 59 V 3.6341 7.9588 116.1621 66.1395 31.4045 177.7582 60 A 4.4960 7.9744 120.2451 55.2765 18.1997 179.3087 61 L 4.0774 8.4274 119.2371 58.2288 42.1857 178.6875 62 E 3.9217 8.7667 119.4378 59.4518 29.4867 178.6472 63 A 4.0572 8.1198 120.7042 55.2740 18.5627 179.2481 64 E 4.0531 8.4752 117.8230 59.0069 29.7391 178.6652 65 L 4.1284 8.2790 120.5854 57.6540 42.3127 178.5064 66 A 3.9934 8.5484 121.1533 54.8695 18.2645 179.4158 67 L 3.8642 7.7391 119.0869 58.5680 42.2270 179.3234 68 T 3.8944 7.5121 108.5456 64.7456 68.5875 175.9911 69 L 3.8529 7.9392 123.3154 57.5846 42.0507 178.9359 70 K 3.8868 8.0609 119.4961 59.6292 32.1888 179.0603 71 V 3.5949 8.3050 118.8567 65.9708 31.4236 177.9662 72 L 4.0832 8.6226 119.1759 57.3168 41.5665 179.2101 73 E 3.9015 8.5684 119.0321 59.4424 29.5727 179.1401 74 A 4.0167 7.9283 120.6625 55.5213 18.3758 179.8465 75 T 3.8033 7.7039 113.6104 66.7138 68.3373 176.6829 76 A 4.2713 7.8090 121.0725 54.4009 18.5080 179.1773 77 D 4.4268 7.7259 116.9870 57.8275 41.1206 178.6397 78 T 4.3997 7.6663 114.1412 64.4103 69.1148 174.2293 79 D 4.6315 7.8538 119.1461 50.7380 42.5058 173.6672 80 P 4.2721 0.0000 0.0000 65.1477 30.3564 178.2246 81 A 4.0989 7.7891 118.8229 55.3685 18.3964 179.5875 82 L 4.2964 8.2188 116.9996 57.9805 41.5933 179.8693 83 G 3.7426 8.0698 105.6090 47.9271 0.0000 175.2475 84 D 4.3393 7.7616 120.1591 56.7860 40.8736 178.2665 85 V 4.0898 6.9450 116.9791 63.8931 32.6922 177.3387 86 L 4.1009 8.2587 119.0308 56.9887 41.6458 178.3378 87 D 4.3488 8.2416 119.5220 57.7280 40.8066 178.6837 88 Q 3.9477 7.9552 118.6996 59.0479 29.2046 176.5585 89 P 3.7638 0.0000 0.0000 65.4285 31.1775 178.5861 90 L 4.1012 8.3911 118.0706 57.9803 41.4778 179.3700 91 H 4.2121 8.1666 115.9293 59.1133 28.8124 177.7848 92 T 4.0017 7.9948 117.6058 66.7266 67.8209 176.2173 93 L 4.0280 8.5677 122.4265 58.6478 42.1193 178.7726 94 H 4.1699 8.4714 116.1321 58.9230 28.7114 177.2179 95 H 4.2390 8.3505 120.2928 59.4060 29.7158 177.4415 96 I 3.1354 7.5411 113.9341 62.9662 37.0932 177.8568 97 L 3.9082 7.3752 121.9295 57.9055 42.0152 178.4518 98 S 4.0925 8.1345 113.0983 61.6853 62.1287 176.1984 99 Q 4.0795 7.7589 118.9779 58.7466 28.8611 178.3522 100 L 4.1154 7.6107 121.3670 58.4612 42.3919 179.2460 101 R 4.0160 8.3172 117.9005 58.8110 29.7406 177.2433 102 A 4.6438 7.5571 118.7007 52.3323 19.9612 177.3420 103 C 4.8975 7.9831 115.7669 58.4581 44.9881 175.1240 104 I 4.1853 7.2096 119.9320 61.2271 37.4840 175.2915 105 Q 4.3765 7.9957 122.4933 54.8915 31.2034 171.2406 106 P 4.3780 0.0000 0.0000 62.7421 32.6442 176.2598 *110 A 4.4529 8.0411 120.3482 51.8447 20.3621 176.4887 111 G 3.9785 9.1828 106.3330 47.6072 0.0000 173.6606 112 P 4.5380 0.0000 0.0000 65.0613 31.6298 177.6470 113 R 3.9852 8.0440 119.6009 61.9695 29.1582 183.2753 114 T 4.2211 7.9243 116.4234 66.2741 68.2470 176.7960 115 R 4.0870 7.9913 117.8590 59.3129 29.3630 179.0098 116 G 3.6762 8.2458 106.4956 47.5284 0.0000 175.6370 117 R 4.0347 7.8058 119.8773 59.0183 30.1247 178.4851 118 L 4.2299 8.3814 120.4964 58.6091 42.2534 178.3103 119 H 4.2346 9.3788 119.3160 59.6911 29.8647 176.6642 120 H 4.2068 8.7211 120.3051 58.8027 29.4291 177.0499 121 W 3.9352 7.7169 129.6973 60.0224 30.6842 177.9188 122 L 3.9281 8.5392 119.4857 57.9486 41.0847 178.9489 123 H 4.0954 8.5943 118.6178 58.9098 29.5990 176.6009 124 R 3.8614 7.3908 117.2054 57.2786 29.8207 176.9562 125 L 4.1334 7.0786 117.1074 55.9868 42.3597 178.2400 126 Q 3.7650 7.4410 117.8113 58.5023 29.0242 177.7619 127 E 3.9501 7.8650 118.7322 58.9763 29.4883 178.1197 128 A 3.7929 7.1653 120.5568 55.4917 18.0852 177.8274 129 P 4.2332 0.0000 0.0000 64.4930 31.5926 178.1413 130 K 4.2797 7.8533 115.9640 57.4105 33.7103 176.8785 131 K 4.3439 8.0946 118.4764 55.8448 32.9849 175.4448 132 E 4.7440 7.6901 117.2491 54.2979 32.6292 176.5530 133 S 4.2518 8.3658 117.3026 57.8434 64.9889 173.5036 134 P 4.2868 0.0000 0.0000 65.9449 31.0435 179.0279 135 G 3.6383 8.0563 103.7563 47.9318 0.0000 175.8066 136 C 4.1986 7.8623 120.6216 59.3755 42.8970 175.3651 137 L 3.8889 7.9273 120.4152 58.0256 41.0863 179.2637 138 E 3.8609 8.5063 119.0292 59.2781 29.6564 178.7808 139 A 3.5141 7.9993 120.8158 54.8848 18.5037 179.7974 140 S 4.1290 8.3699 114.0287 62.0710 62.8258 177.5275 141 V 3.6057 7.6475 113.2281 64.1837 31.4728 178.7888 142 T 3.9992 7.3426 115.8119 66.7904 68.1836 176.9743 143 F 4.6169 7.1478 117.6292 60.3509 39.2435 176.6951 144 N 4.5429 8.1823 115.4437 55.3782 38.6863 175.9541 145 L 3.8231 7.7654 120.0469 58.5639 41.6690 178.6328 146 F 4.0853 8.2830 119.2128 61.9188 39.5060 177.6689 147 R 3.7835 8.1714 117.3236 59.1411 29.7847 178.1357 148 L 4.0436 7.7669 120.2589 58.1855 41.9455 178.9405 149 L 3.9036 7.7137 117.9069 57.4678 41.8678 178.0343 150 T 3.8251 7.8857 109.9935 63.3116 68.4914 176.7384 151 R 3.7437 7.8530 119.7820 58.8377 30.9608 177.7685 152 D 4.2897 8.2461 118.0452 57.3386 40.8953 178.9446 153 L 3.9350 7.7741 120.5438 58.2148 42.1988 178.3861 154 N 4.2563 8.0865 117.0170 56.6953 38.5764 175.6586 155 C 4.0782 7.8427 119.0443 60.0115 42.2326 175.7137 156 V 3.5616 7.4379 118.3972 65.7130 30.8322 177.8486 157 A 3.8687 7.6317 120.2369 55.1339 18.2701 179.2354 158 S 4.1805 7.6935 112.9866 60.1072 62.9354 175.3187 159 G 4.4183 8.0129 113.7084 45.1213 0.0000 174.0139 160 D 4.7378 7.7232 117.2397 52.8766 41.3988 176.2537 161 L 4.3827 7.8829 118.2750 55.9656 40.9937 178.1809 162 C 4.5549 7.3280 120.5464 55.6552 41.9028 173.8233 163 V 3.7678 7.5311 122.5488 61.5191 31.0361 177.0579 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 C 8.45 4.53 0.00 2.97 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 H 8.47 4.52 0.00 3.16 3.19 0.00 5.95 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 I 8.25 4.28 1.95 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.97 0.97 0.00 0.00 7 A 7.65 3.94 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 0.00 0.00 8 Q 7.68 3.98 0.00 1.79 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.09 0.00 0.00 0.00 0.00 0.00 2.11 1.16 0.00 9 F 7.85 4.98 0.00 3.06 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 10 K 7.83 4.15 0.00 1.78 1.87 0.00 1.69 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.47 1.46 7.81 11 S 7.85 4.83 0.00 3.93 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 12 L 8.14 4.82 0.00 1.58 1.60 1.02 0.74 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 13 S 8.23 4.28 0.00 3.88 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 14 P 0.00 4.37 0.00 2.34 2.33 0.00 3.80 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 2.10 2.05 0.00 15 Q 8.04 3.98 0.00 2.24 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.85 0.00 0.00 0.00 0.00 0.00 2.40 2.51 0.00 16 E 8.20 4.13 0.00 2.30 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 0.00 2.53 2.50 0.00 17 L 8.00 4.11 0.00 1.95 1.83 0.98 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 18 Q 8.44 4.07 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 19 A 7.63 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 20 F 8.78 3.96 0.00 3.29 3.19 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 21 K 8.16 4.11 0.00 2.05 1.99 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.49 7.81 22 R 7.92 4.07 0.00 1.87 1.96 0.00 3.17 0.00 0.00 3.18 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 2.01 0.00 23 A 7.84 4.03 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 24 K 8.38 3.89 0.00 2.02 2.08 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.17 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.53 1.61 7.81 25 D 8.24 4.33 0.00 2.79 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 A 7.74 4.01 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 27 L 8.28 3.92 0.00 1.94 1.73 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.11 4.03 0.00 2.30 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 0.00 2.62 2.63 0.00 29 E 8.15 4.05 0.00 2.07 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 2.33 2.38 0.00 30 S 8.02 4.25 0.00 4.01 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 7.57 4.14 0.00 1.81 1.75 0.90 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.31 4.09 0.00 1.91 1.76 1.04 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 33 L 7.34 3.95 0.00 1.70 1.55 0.92 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 34 K 8.18 4.25 0.00 1.91 1.88 0.00 1.57 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.52 7.81 35 D 8.45 4.98 0.00 2.79 2.58 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 36 C 8.27 4.96 0.00 2.93 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 K 8.18 4.80 0.00 1.71 1.75 0.00 1.82 0.00 0.00 1.76 0.00 0.00 3.16 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.36 1.40 7.81 38 C 8.59 5.11 0.00 2.95 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.65 4.24 0.00 1.93 1.95 0.00 3.26 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.71 0.00 40 S 8.04 4.70 0.00 3.74 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 R 8.46 4.12 0.00 1.83 1.95 0.00 3.31 0.00 0.00 3.31 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 42 L 8.58 3.71 0.00 1.00 0.40 0.70 0.51 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 43 F 7.48 5.09 0.00 3.12 3.17 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 44 P 0.00 4.50 0.00 2.38 2.11 0.00 3.84 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 2.22 2.31 0.00 45 R 8.80 4.16 0.00 1.89 2.07 0.00 3.46 0.00 0.00 3.40 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.64 0.00 46 T 8.07 4.08 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 47 W 8.07 4.53 0.00 3.27 3.26 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 48 D 7.30 4.67 0.00 2.56 2.13 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 49 L 7.81 3.37 0.00 1.58 1.49 0.81 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 50 R 7.80 3.87 0.00 1.62 1.90 0.00 3.12 0.00 0.00 3.35 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.67 0.00 51 Q 7.01 3.92 0.00 1.75 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.91 0.00 0.00 0.00 0.00 0.00 2.19 1.98 0.00 52 L 7.51 4.09 0.00 1.56 1.55 1.02 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 53 Q 8.88 3.77 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.11 0.00 0.00 0.00 0.00 0.00 2.42 2.37 0.00 54 V 7.32 2.68 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 0.66 0.00 0.00 0.91 0.00 0.00 55 R 8.06 3.97 0.00 1.92 2.11 0.00 3.19 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.64 0.00 56 E 8.72 4.28 0.00 1.99 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 2.49 2.52 0.00 57 R 8.27 3.91 0.00 1.89 1.94 0.00 3.18 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 58 P 0.00 4.26 0.00 2.19 2.14 0.00 3.73 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 2.17 0.00 59 V 7.96 3.63 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 1.14 0.00 0.00 0.99 0.00 0.00 60 A 7.97 4.50 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.43 4.08 0.00 1.94 1.85 0.91 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.77 3.92 0.00 2.13 2.19 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 2.33 2.51 0.00 63 A 8.12 4.06 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 64 E 8.48 4.05 0.00 2.84 2.43 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 2.37 2.64 0.00 65 L 8.28 4.13 0.00 1.99 1.62 0.84 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 66 A 8.55 3.99 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 67 L 7.74 3.86 0.00 1.88 1.74 0.81 0.90 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 68 T 7.51 3.89 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 69 L 7.94 3.85 0.00 1.83 1.80 0.83 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.06 3.89 0.00 2.00 1.96 0.00 1.66 0.00 0.00 1.54 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.43 7.81 71 V 8.30 3.59 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 1.00 0.00 0.00 0.92 0.00 0.00 72 L 8.62 4.08 0.00 1.77 1.68 0.94 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 73 E 8.57 3.90 0.00 2.18 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 2.55 2.50 0.00 74 A 7.93 4.02 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 75 T 7.70 3.80 4.36 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 1.23 0.00 0.00 76 A 7.81 4.27 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 77 D 7.73 4.43 0.00 2.85 2.73 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 78 T 7.67 4.40 4.36 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 1.20 0.00 0.00 79 D 7.85 4.63 0.00 2.60 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 4.27 0.00 2.19 2.08 0.00 3.65 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 81 A 7.79 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 82 L 8.22 4.30 0.00 1.82 1.72 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 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0.00 3.41 3.36 0.00 5.63 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 92 T 7.99 4.00 4.70 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 1.43 0.00 0.00 93 L 8.57 4.03 0.00 2.07 1.79 1.05 1.15 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 94 H 8.47 4.17 0.00 3.55 3.37 0.00 5.87 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 H 8.35 4.24 0.00 3.35 3.60 0.00 5.78 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 I 7.54 3.14 0.77 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.59 0.41 0.00 0.00 97 L 7.38 3.91 0.00 1.93 1.81 0.89 0.75 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 98 S 8.13 4.09 0.00 3.98 4.04 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 99 Q 7.76 4.08 0.00 2.32 2.35 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 0.00 136 C 7.86 4.20 0.00 3.13 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 0.00 137 L 7.93 3.89 0.00 1.86 1.69 0.87 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 138 E 8.51 3.86 0.00 2.09 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 0.00 2.24 2.29 0.00 139 A 8.00 3.51 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 S 8.37 4.13 0.00 4.09 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 0.00 141 V 7.65 3.61 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 0.93 0.00 0.00 0.99 0.00 0.00 142 T 7.34 4.00 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 1.26 0.00 0.00 143 F 7.15 4.62 0.00 3.11 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 N 8.18 4.54 0.00 2.68 2.34 0.00 0.00 7.05 6.23 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 0.00 145 L 7.77 3.82 0.00 2.10 1.76 1.11 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 146 F 8.28 4.09 0.00 3.03 3.13 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 0.00 147 R 8.17 3.78 0.00 2.00 2.09 0.00 3.32 0.00 0.00 3.36 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.71 0.00 148 L 7.77 4.04 0.00 1.87 1.74 0.86 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 149 L 7.71 3.90 0.00 1.35 1.39 0.16 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 150 T 7.89 3.83 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 0.48 0.00 0.00 151 R 7.85 3.74 0.00 1.81 1.97 0.00 3.32 0.00 0.00 3.28 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 152 D 8.25 4.29 0.00 2.91 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 0.00 153 L 7.77 3.93 0.00 1.83 1.68 0.81 0.50 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 0.00 154 N 8.09 4.26 0.00 2.85 2.92 0.00 0.00 6.90 7.10 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 0.00 155 C 7.84 4.08 0.00 3.02 3.26 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 0.00 156 V 7.44 3.56 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 0.97 0.00 0.00 0.93 0.00 0.00 157 A 7.63 3.87 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 0.00 158 S 7.69 4.18 0.00 4.03 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 0.00 159 G 8.01 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 0.00 160 D 7.72 4.74 0.00 2.80 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 L 7.88 4.38 0.00 1.75 1.77 0.92 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 162 C 7.33 4.55 0.00 3.06 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 V 7.53 3.77 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 0.70 0.00 0.00 0.90 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.