NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 4.1562 8.0249 120.7873 60.8059 39.1741 174.6443 3 Q 4.4816 8.4463 124.1276 52.2752 32.0442 173.3934 4 S 5.0037 9.2326 116.9973 56.6037 67.1571 173.0081 5 Q 4.5988 8.7217 121.2093 54.7776 30.0376 175.9393 6 I 4.4424 8.1605 111.0231 60.1609 38.9992 174.6748 7 N 4.8930 7.8295 120.3745 51.1580 40.8696 174.8286 8 R 3.9966 8.5773 123.3453 59.0146 29.4984 178.3292 9 N 4.3451 8.7532 117.8104 55.8879 38.3951 177.2640 10 I 3.6830 7.4495 121.6672 64.6560 37.2046 178.6632 11 R 4.0442 7.8995 118.0376 58.8817 29.9911 178.8974 12 L 4.0171 8.2148 119.2718 57.6118 41.6091 179.0684 13 D 4.3771 8.5098 119.5305 57.1505 40.6377 178.4849 14 L 3.9363 7.9962 120.7271 58.0024 41.9973 178.8181 15 A 4.1070 8.1804 120.9242 55.3240 18.3381 179.2323 16 D 4.2955 8.1686 117.1072 57.5275 40.8868 178.9825 17 A 4.0039 7.9602 121.0453 55.1996 18.3896 179.6109 18 I 3.6468 8.1007 118.6808 64.7427 37.2129 178.7399 19 L 4.1311 8.2524 119.8890 57.4521 41.2876 179.4059 20 L 3.9266 8.0659 120.5266 58.0941 42.0933 178.8773 21 S 4.0367 8.1874 113.1925 61.2642 62.3444 175.9654 22 K 3.8125 8.4757 122.4601 59.5324 31.9849 178.6418 23 A 3.9749 8.1161 121.0054 55.0662 18.0730 179.8031 24 K 3.9690 8.1619 116.4753 59.2071 32.2170 179.0080 25 K 4.1227 8.0342 116.3552 55.7901 32.8659 175.9835 26 D 4.2891 7.5980 117.7350 55.1685 39.9814 172.9535 27 L 4.7883 7.9284 116.2905 52.6124 44.0797 177.3436 28 S 4.6233 8.2080 115.4784 56.8211 66.4932 175.2311 29 F 4.1915 8.3672 121.4612 60.7906 38.7257 177.7240 30 A 4.0677 8.1261 119.8346 55.4386 18.3327 179.4288 31 E 4.0220 8.5111 117.1118 59.3722 29.2871 179.5964 32 I 3.8353 7.6727 119.2632 64.0762 37.5536 177.7613 33 A 4.3055 8.1266 121.0004 52.7621 18.5586 176.9944 34 D 4.4658 7.2778 117.6420 56.0292 41.5232 176.6364 35 G 4.0424 9.0865 114.9136 45.6518 0.0000 174.0939 36 T 4.0599 7.6128 115.0396 63.8885 68.8659 176.2051 37 G 3.9472 8.3346 107.8308 45.4247 0.0000 172.9487 38 L 4.7503 7.4337 117.7543 51.8758 44.9526 176.7850 39 A 4.1592 8.3338 122.8095 52.2127 20.2231 178.5736 40 E 3.9052 8.8868 122.6201 59.4480 29.7367 179.4228 41 A 3.9091 7.9505 120.3958 54.8740 18.4706 179.3042 42 F 3.8225 8.0911 118.7808 61.3143 39.6539 177.5757 43 V 3.6023 8.0956 117.9973 66.2529 31.3551 178.0923 44 T 3.7595 8.1903 115.5713 66.4780 68.1610 176.3499 45 A 3.8140 7.8238 122.3724 55.0185 18.3572 179.4330 46 A 4.1891 7.5810 120.4394 54.8536 18.2331 179.8018 47 L 4.0094 7.7786 116.0385 57.5256 41.6771 178.7549 48 L 4.5559 7.5451 116.6571 54.3732 41.7769 177.4241 49 G 3.9435 8.1464 106.8333 45.5284 0.0000 174.4654 50 Q 4.5107 8.1329 116.4170 55.4665 30.1453 174.8166 51 Q 4.6139 7.4288 115.8448 54.3347 33.8741 173.0014 52 A 4.9221 8.4970 121.7097 50.5213 21.0482 176.4102 53 L 4.7032 8.6941 122.0543 52.7117 43.7020 175.2619 54 P 4.4051 0.0000 0.0000 62.5642 32.2707 177.3441 55 A 4.0017 8.6172 121.7423 55.5284 18.2702 179.9053 56 D 4.2803 8.1110 116.7243 57.5185 40.8959 178.7555 57 A 4.0163 8.0287 120.5758 54.9517 18.4178 179.3455 58 A 3.9502 8.2871 119.5096 55.3897 18.4768 180.0914 59 R 3.8613 8.2437 116.7517 59.1745 30.1381 178.9567 60 L 3.9317 8.0366 120.0659 58.5099 42.1464 179.6088 61 V 3.8067 8.1531 112.5100 64.2067 31.4228 178.8364 62 G 3.6339 8.3832 105.5650 47.5695 0.0000 175.7415 63 A 3.9922 8.0813 123.0199 55.0194 18.2574 179.7382 64 K 3.8989 7.8500 115.7720 59.0498 32.2343 178.5187 65 L 4.4299 7.7059 115.6983 53.2562 42.7458 175.8441 66 D 4.3713 7.6252 117.4225 55.2688 38.7212 173.7786 67 L 4.3707 8.1672 118.0321 54.0018 43.2388 177.5367 68 D 4.7434 8.1704 121.0268 52.6543 42.2454 177.2715 69 E 4.0305 8.5111 118.3938 59.5106 29.3119 179.2739 70 D 4.3933 8.0588 118.6465 57.3535 40.9205 178.7932 71 S 4.1440 8.6153 115.9875 61.4262 62.6096 176.6184 72 I 3.7209 7.6485 121.7977 64.2894 37.2682 177.8881 73 L 4.2523 8.0897 121.1344 58.1846 41.7088 179.0114 74 L 4.0275 7.9977 118.1659 57.8126 41.7597 179.1915 75 L 4.1959 8.0615 118.8321 56.9597 42.5104 177.2633 76 Q 4.8588 7.4015 117.9648 53.9270 27.1306 174.2128 *78 I 3.9092 7.4851 119.9873 60.2294 38.7691 174.1884 79 P 4.6253 0.0000 0.0000 61.8901 32.2632 176.0764 80 L 4.2352 8.1076 121.5500 54.0550 41.0410 176.5598 81 R 4.2061 8.1953 125.0181 55.6767 30.8886 175.1337 82 G 2.9970 8.4015 107.9803 45.0093 0.0000 173.1703 83 C 4.3354 8.0623 122.1988 58.4095 30.7635 174.3943 84 I 4.0799 7.4409 122.0268 60.3488 37.6892 174.9196 85 D 4.4651 8.8772 125.4588 57.1526 41.5806 176.5917 86 D 4.6419 7.3633 115.0211 53.1455 41.5435 173.7856 87 R 4.3198 8.2100 126.9771 56.4044 29.1826 177.1131 88 I 4.0995 7.1504 115.9642 58.2665 39.2393 173.9401 89 P 4.4291 0.0000 0.0000 62.9437 31.8252 176.4429 90 T 4.2070 8.3280 111.2992 63.2668 69.7805 175.0952 91 D 4.5320 7.9451 121.4233 53.1203 42.1995 173.9993 92 P 4.4990 0.0000 0.0000 66.2428 31.5381 178.7453 93 T 3.8762 7.6120 108.7539 65.1332 68.0262 174.1926 *95 Y 4.5972 7.8680 124.9270 57.6601 40.4384 177.2884 96 R 3.9118 7.9985 117.7381 59.2587 30.0396 178.7370 97 F 4.2189 7.9758 116.4940 60.4664 39.2974 176.4834 98 Y 4.1393 7.9613 118.8105 60.2717 38.8581 178.7900 99 E 4.0880 7.9645 122.6893 55.6516 29.2475 178.4133 *101 L 4.2284 7.9452 119.0916 54.6657 43.9854 179.6602 102 Q 3.8152 7.5500 116.8773 58.4662 28.5059 178.5639 103 V 3.6681 7.6677 118.4286 65.1875 32.1556 176.8627 104 Y 4.6629 7.5903 113.2804 57.6370 38.5479 177.6572 105 G 3.6645 8.2118 109.0285 48.1025 0.0000 176.1502 106 T 4.0050 7.8344 111.7165 64.6197 68.8482 176.8448 107 T 3.9171 7.9025 118.3505 66.3896 68.4881 176.4453 108 L 3.9894 8.5062 121.4048 57.5536 41.5685 179.3661 109 K 3.7828 8.1746 119.2569 59.5590 32.1770 178.6377 110 A 4.0189 8.2091 121.0763 55.3060 18.2504 179.6313 111 L 4.0428 8.2685 117.6003 57.5150 41.6236 179.9187 112 V 3.8028 8.1481 118.8492 66.4466 31.3798 177.8769 113 H 5.0226 8.3268 117.5571 58.3228 28.2558 177.5017 114 E 3.9481 8.1719 120.4884 59.3056 29.6151 178.7260 115 K 3.9479 8.1721 117.3533 58.0230 32.1639 178.0741 116 F 4.2756 8.7553 115.6306 60.8878 41.3974 174.8733 117 G 3.8616 7.4900 103.5577 43.8527 0.0000 172.3197 118 D 4.6458 8.6288 119.2454 54.9033 42.3660 175.6016 119 G 4.2048 8.0810 109.9148 45.0851 0.0000 172.5846 120 I 4.8029 8.4501 114.3940 59.2534 41.8110 174.6405 121 I 4.6045 8.1226 123.6390 59.9658 37.9618 175.9892 122 S 4.2336 9.1750 122.8400 58.3654 62.8689 173.7245 123 A 3.9895 8.4712 127.1660 51.9544 19.3615 177.0156 124 I 4.2846 8.0391 117.1043 63.3233 39.0581 176.6129 125 N 4.7634 7.8359 122.6880 52.2495 38.0164 172.1191 126 F 5.2513 7.9864 122.7077 56.7373 42.8302 172.6862 127 K 4.6182 8.2031 124.6246 54.4076 36.4316 175.1535 128 L 5.6854 8.3510 121.4601 53.2063 43.8978 174.9778 129 D 4.8350 8.3871 118.0392 51.9393 43.3827 173.7618 130 V 4.8336 8.3549 119.3156 61.1666 33.6570 174.7774 131 K 4.7231 9.0918 126.8642 54.4199 35.9934 174.8835 132 K 4.8560 8.6408 124.9649 55.2182 33.4779 175.6568 133 V 4.5768 8.6357 126.8725 60.5306 34.8352 174.5071 134 A 4.4994 8.6647 129.0156 52.1816 19.1960 176.4121 135 D 4.5747 9.0186 122.4852 52.7698 42.0848 175.9057 136 P 4.2713 0.0000 0.0000 65.3826 31.5267 177.0240 137 E 4.1833 8.5098 116.0547 56.0588 29.6545 176.6273 138 G 4.0434 8.4879 107.8618 45.6017 0.0000 176.1108 139 G 3.8509 8.9070 108.9513 44.3717 0.0000 171.7745 140 E 5.2028 8.4608 117.0183 54.6974 33.4699 175.5587 141 R 4.8214 9.2206 120.8098 54.3752 34.4465 174.1158 142 A 5.0375 8.5714 123.0084 50.4417 21.0999 176.5070 143 V 4.1923 8.8174 123.3526 61.4373 33.3421 174.3760 144 I 4.8386 8.3752 129.3504 60.0621 38.9349 175.3376 145 T 4.4947 8.7057 124.6116 62.0065 70.3276 173.6626 146 L 4.7025 8.5506 126.9141 53.2917 43.4000 175.8123 147 D 4.6512 8.5393 123.9886 52.3166 43.3720 174.1468 148 G 4.6829 8.5008 111.8002 43.6632 0.0000 170.6326 149 K 4.2842 8.9202 124.5701 56.3289 33.6185 175.1706 150 Y 4.8194 8.5636 128.2989 57.2553 39.6478 174.1626 151 L 4.4747 8.4075 127.1523 52.0149 44.2635 174.3903 152 P 4.5854 0.0000 0.0000 62.7640 32.8223 175.6041 153 T 4.5873 8.6273 118.7182 62.1348 70.0821 174.2605 154 K 4.6927 8.5122 124.8741 53.4780 35.9176 174.2906 155 P 4.4546 0.0000 0.0000 62.7586 31.9686 176.8107 156 F 4.5317 7.6421 113.8972 57.2706 37.9326 174.4980 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 I 8.02 4.16 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 1.42 1.36 0.91 0.00 0.00 3 Q 8.45 4.48 0.00 2.11 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.65 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 4 S 9.23 5.00 0.00 3.91 3.78 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 5 Q 8.72 4.60 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.73 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 6 I 8.16 4.44 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 0.66 0.91 0.00 0.00 7 N 7.83 4.89 0.00 2.76 2.67 0.00 0.00 6.93 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 8 R 8.58 4.00 0.00 2.06 2.27 0.00 3.10 0.00 0.00 3.32 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 9 N 8.75 4.35 0.00 2.86 2.91 0.00 0.00 6.83 7.79 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 10 I 7.45 3.68 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 1.52 0.94 0.91 0.00 0.00 11 R 7.90 4.04 0.00 1.81 1.96 0.00 3.28 0.00 0.00 3.51 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 12 L 8.21 4.02 0.00 1.68 1.71 0.91 0.99 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 13 D 8.51 4.38 0.00 2.88 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 14 L 8.00 3.94 0.00 1.78 1.83 0.93 1.26 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 15 A 8.18 4.11 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 16 D 8.17 4.30 0.00 2.87 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 17 A 7.96 4.00 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 18 I 8.10 3.65 2.07 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 1.53 0.65 0.95 0.00 0.00 19 L 8.25 4.13 0.00 1.84 1.74 0.99 0.99 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 20 L 8.07 3.93 0.00 1.77 1.81 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.19 4.04 0.00 3.92 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 22 K 8.48 3.81 0.00 1.76 1.89 0.00 1.14 0.00 0.00 1.17 0.00 0.00 2.20 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.19 1.21 7.81 23 A 8.12 3.97 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 24 K 8.16 3.97 0.00 1.86 1.87 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.61 7.81 25 K 8.03 4.12 0.00 1.76 1.82 0.00 1.92 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.51 7.81 26 D 7.60 4.29 0.00 2.77 2.67 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 27 L 7.93 4.79 0.00 1.55 1.44 0.95 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 28 S 8.21 4.62 0.00 4.04 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 29 F 8.37 4.19 0.00 3.22 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 30 A 8.13 4.07 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 31 E 8.51 4.02 0.00 2.00 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 2.33 2.35 0.00 32 I 7.67 3.84 2.05 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.54 0.96 0.00 0.00 33 A 8.13 4.31 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 D 7.28 4.47 0.00 2.80 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 35 G 9.09 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 0.00 0.00 0.00 36 T 7.61 4.06 4.51 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 0.00 0.00 0.00 1.36 0.00 0.00 37 G 8.33 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 38 L 7.43 4.75 0.00 1.70 1.65 1.02 0.68 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 39 A 8.33 4.16 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 40 E 8.89 3.91 0.00 2.08 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 2.40 2.46 0.00 41 A 7.95 3.91 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 42 F 8.09 3.82 0.00 3.21 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 V 8.10 3.60 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 1.07 0.00 0.00 44 T 8.19 3.76 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 0.35 0.00 0.00 45 A 7.82 3.81 1.17 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 46 A 7.58 4.19 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 L 7.78 4.01 0.00 1.86 1.85 1.16 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 48 L 7.55 4.56 0.00 1.53 1.62 0.73 0.86 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 49 G 8.15 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 50 Q 8.13 4.51 0.00 1.97 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.57 6.64 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 51 Q 7.43 4.61 0.00 1.39 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.89 0.00 0.00 0.00 0.00 0.00 2.00 1.36 0.00 52 A 8.50 4.92 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 53 L 8.69 4.70 0.00 1.64 1.65 0.95 1.37 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 54 P 0.00 4.41 0.00 2.20 2.00 0.00 3.70 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 55 A 8.62 4.00 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 56 D 8.11 4.28 0.00 2.71 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 57 A 8.03 4.02 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 58 A 8.29 3.95 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 59 R 8.24 3.86 0.00 2.01 2.00 0.00 3.14 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 60 L 8.04 3.93 0.00 1.88 1.82 0.93 0.93 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 61 V 8.15 3.81 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 1.02 0.00 0.00 62 G 8.38 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 A 8.08 3.99 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 64 K 7.85 3.90 0.00 1.92 1.89 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.68 7.81 65 L 7.71 4.43 0.00 1.73 1.68 0.97 1.10 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 66 D 7.63 4.37 0.00 2.80 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 67 L 8.17 4.37 0.00 1.59 1.59 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 68 D 8.17 4.74 0.00 2.94 2.81 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 69 E 8.51 4.03 0.00 2.00 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 0.00 2.40 2.34 0.00 70 D 8.06 4.39 0.00 2.68 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 71 S 8.62 4.14 0.00 3.99 3.91 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 72 I 7.65 3.72 2.01 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 1.57 0.56 0.97 0.00 0.00 73 L 8.09 4.25 0.00 1.77 1.85 0.93 0.55 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 74 L 8.00 4.03 0.00 1.82 1.72 0.92 1.31 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 75 L 8.06 4.20 0.00 1.88 1.73 0.93 0.91 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 76 Q 7.40 4.86 0.00 2.24 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.39 0.00 0.00 0.00 0.00 0.00 2.56 2.42 0.00 *78 I 7.49 3.91 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 1.49 0.67 0.92 0.00 0.00 79 P 0.00 4.63 0.00 2.20 2.05 0.00 3.76 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.91 0.00 80 L 8.11 4.24 0.00 1.62 1.65 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 81 R 8.20 4.21 0.00 1.82 1.81 0.00 3.24 0.00 0.00 3.21 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.76 0.00 82 G 8.40 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 0.00 0.00 0.00 83 C 8.06 4.34 0.00 3.05 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 I 7.44 4.08 1.85 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 0.54 0.91 0.00 0.00 85 D 8.88 4.47 0.00 2.61 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 86 D 7.36 4.64 0.00 2.58 2.48 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 87 R 8.21 4.32 0.00 1.99 2.07 0.00 3.20 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 88 I 7.15 4.10 1.74 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.72 0.60 0.00 0.00 89 P 0.00 4.43 0.00 2.18 2.04 0.00 3.37 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.08 0.00 90 T 8.33 4.21 4.23 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 1.20 0.00 0.00 91 D 7.95 4.53 0.00 2.68 2.67 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 92 P 0.00 4.50 0.00 2.26 2.13 0.00 3.69 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 93 T 7.61 3.88 4.51 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 0.00 0.00 0.00 1.35 0.00 0.00 *95 Y 7.87 4.60 0.00 3.23 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 R 8.00 3.91 0.00 1.53 1.73 0.00 3.40 0.00 0.00 3.37 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.77 0.00 97 F 7.98 4.22 0.00 3.06 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 98 Y 7.96 4.14 0.00 2.94 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 E 7.96 4.09 0.00 1.99 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 2.29 2.37 0.00 *101 L 7.95 4.23 0.00 1.61 1.60 0.90 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 102 Q 7.55 3.82 0.00 1.96 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.92 0.00 0.00 0.00 0.00 0.00 1.70 2.27 0.00 103 V 7.67 3.67 1.93 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 0.25 0.00 0.00 0.89 0.00 0.00 104 Y 7.59 4.66 0.00 3.02 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 G 8.21 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 T 7.83 4.01 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 1.20 0.00 0.00 107 T 7.90 3.92 4.61 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 1.34 0.00 0.00 108 L 8.51 3.99 0.00 1.84 1.73 0.95 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 109 K 8.17 3.78 0.00 1.83 2.00 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.47 1.46 7.81 110 A 8.21 4.02 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 L 8.27 4.04 0.00 1.73 1.75 0.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 112 V 8.15 3.80 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.97 0.00 0.00 113 H 8.33 5.02 0.00 3.24 3.35 0.00 5.68 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 E 8.17 3.95 0.00 1.98 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 0.00 2.29 2.33 0.00 115 K 8.17 3.95 0.00 1.63 1.16 0.00 1.71 0.00 0.00 1.57 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.48 7.81 116 F 8.76 4.28 0.00 2.47 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 0.00 117 G 7.49 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 D 8.63 4.65 0.00 2.72 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 0.00 119 G 8.08 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 I 8.45 4.80 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.73 0.92 0.00 0.00 121 I 8.12 4.60 1.82 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.70 0.92 0.00 0.00 122 S 9.18 4.23 0.00 3.89 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 0.00 123 A 8.47 3.99 0.98 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 0.00 124 I 8.04 4.28 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 1.16 0.96 0.93 0.00 0.00 125 N 7.84 4.76 0.00 2.79 2.75 0.00 0.00 6.55 7.71 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 0.00 126 F 7.99 5.25 0.00 3.16 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 0.00 127 K 8.20 4.62 0.00 1.42 1.43 0.00 1.58 0.00 0.00 1.62 0.00 0.00 2.84 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.24 1.22 7.81 128 L 8.35 5.69 0.00 1.73 1.36 1.00 0.81 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 0.00 129 D 8.39 4.83 0.00 2.65 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 0.00 130 V 8.35 4.83 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 0.87 0.00 0.00 0.91 0.00 0.00 131 K 9.09 4.72 0.00 1.70 1.64 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.80 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.34 1.52 7.81 132 K 8.64 4.86 0.00 1.78 1.72 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.44 7.81 133 V 8.64 4.58 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.94 0.00 0.00 134 A 8.66 4.50 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 0.00 135 D 9.02 4.57 0.00 2.66 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 0.00 136 P 0.00 4.27 0.00 2.08 2.10 0.00 3.73 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 2.03 2.11 0.00 137 E 8.51 4.18 0.00 2.02 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 2.25 0.00 138 G 8.49 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 0.00 0.00 0.00 139 G 8.91 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 E 8.46 5.20 0.00 1.82 1.82 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 2.21 2.32 0.00 141 R 9.22 4.82 0.00 1.68 1.78 0.00 3.22 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 142 A 8.57 5.04 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 0.00 143 V 8.82 4.19 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 1.06 0.00 0.00 0.94 0.00 0.00 144 I 8.38 4.84 2.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.82 1.00 0.00 0.00 145 T 8.71 4.49 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 1.18 0.00 0.00 146 L 8.55 4.70 0.00 1.66 1.98 1.02 1.20 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 0.00 147 D 8.54 4.65 0.00 2.67 2.42 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 0.00 148 G 8.50 4.68 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 0.00 149 K 8.92 4.28 0.00 1.92 1.70 0.00 1.57 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.45 7.81 150 Y 8.56 4.82 0.00 2.41 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 0.00 151 L 8.41 4.47 0.00 1.46 1.38 0.87 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 152 P 0.00 4.59 0.00 2.04 1.94 0.00 3.44 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.88 0.00 153 T 8.63 4.59 4.37 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 1.31 0.00 0.00 154 K 8.51 4.69 0.00 1.74 1.71 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.44 7.81 155 P 0.00 4.45 0.00 2.03 1.91 0.00 3.65 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 2.02 2.05 0.00 156 F 7.64 4.53 0.00 3.07 2.90 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 * Residues marked with a * may have inaccurate shift predictions.