NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5512 8.1633 120.2817 54.9635 33.7442 173.7842 2 K 4.5724 8.3792 124.2277 55.7956 33.5921 171.3896 3 V 4.9240 10.1604 119.0128 59.9033 36.9979 174.7729 4 I 4.1825 8.9709 125.6927 59.6474 38.0095 175.4323 5 L 4.1165 8.3189 128.0115 55.4006 42.3934 176.8591 6 L 4.4136 8.5048 118.2775 56.3862 44.1022 179.1846 7 E 4.2219 7.8111 118.5011 55.8800 29.8457 174.2965 8 P 5.7073 0.0000 0.0000 61.1775 33.9060 173.5825 9 L 4.7497 7.7269 116.9720 52.8640 46.1476 175.9137 10 E 3.9514 8.6586 121.0529 57.4561 30.0570 177.8256 11 N 4.3569 8.9845 120.7514 54.5227 38.6411 173.9548 12 L 4.4364 8.4139 118.3645 54.9579 41.9918 174.8757 13 G 4.0676 8.0555 111.5820 44.8326 0.0000 170.7580 14 D 4.4809 6.9731 117.5342 53.5740 41.8719 177.8525 15 V 3.6721 8.5346 123.9965 62.5818 31.7339 178.1945 16 G 4.1546 8.4930 107.7269 46.7107 0.0000 174.4034 17 Q 4.0908 8.3245 122.0013 56.3368 30.1811 175.2467 18 V 4.6671 8.3193 126.0342 61.7578 32.9009 175.2074 19 V 4.7352 8.6035 126.2786 60.1990 35.2498 173.2473 20 D 5.4069 8.6763 121.5423 52.1131 41.1518 175.6705 21 V 4.6596 8.5028 114.4399 58.8992 36.3296 175.6131 22 K 4.0331 8.6510 121.1122 56.3510 32.6515 176.3895 23 P 4.3459 0.0000 0.0000 66.0346 30.8246 178.8751 24 G 3.7201 8.1394 103.4596 47.3412 0.0000 175.1522 25 Y 4.1816 8.4268 122.2925 60.8124 38.9296 177.3983 26 A 3.9279 8.1436 121.1182 55.4495 18.3535 179.4590 27 R 3.8930 7.9067 115.2353 58.8148 30.3261 177.7098 28 N 4.8181 7.7050 111.0658 53.0977 39.4158 173.7404 29 Y 4.5049 7.4485 117.3923 56.7537 40.9568 176.8684 30 L 3.4974 7.1031 116.3357 58.8378 41.6198 179.1545 31 L 3.9129 8.3207 118.0189 57.6914 41.7779 177.9206 32 P 4.2231 0.0000 0.0000 65.7705 31.4849 178.2599 33 R 4.1720 7.7599 113.1416 55.9796 30.1945 177.4273 34 G 3.8203 7.4044 106.0515 46.1743 0.0000 173.8492 35 L 4.3813 7.3288 116.7895 53.1799 41.5524 175.8754 36 A 4.5140 6.9771 120.4258 52.3793 21.4795 175.7632 37 V 4.5064 7.7858 117.8835 61.3733 35.8521 173.8882 38 L 4.5515 8.4043 122.9683 53.3463 42.3406 178.6037 39 A 4.5199 8.4415 127.5956 51.8962 16.1009 178.0871 40 T 4.1152 7.7451 111.5915 61.5823 70.6157 175.4826 41 E 4.0044 9.0235 123.0923 60.7985 29.5106 179.1502 42 S 3.9991 8.3577 112.9603 62.4592 62.6438 176.1933 43 N 4.2551 8.6813 118.1563 56.7017 38.5782 177.1993 44 L 3.9613 8.5971 121.3515 57.9901 41.7150 180.0140 45 K 3.9651 8.2620 118.0413 60.0164 32.6158 178.9506 46 A 3.9558 7.9616 121.9862 54.3689 18.0594 179.5229 47 L 3.8858 8.2506 119.4897 58.2915 42.2086 178.2692 48 E 3.8584 7.8474 119.2638 60.0978 29.5051 178.0730 49 A 3.8681 8.2366 119.4807 55.7648 18.2045 179.3579 50 R 3.9145 8.0570 114.3706 59.6586 30.2865 179.5032 51 I 3.7342 7.8859 118.2175 64.5679 37.2409 177.7421 52 R 4.1306 8.6414 117.7522 58.2397 29.4364 178.6745 53 A 3.7081 8.0055 118.5628 54.6720 18.6913 178.6664 54 Q 3.9866 8.5600 118.6787 57.3773 29.4543 177.2761 55 A 4.6187 8.4040 118.9337 52.6793 20.3789 177.8196 56 K 4.5081 8.5530 113.8986 56.5281 34.0304 177.8091 57 R 4.1547 7.7258 120.2133 59.0521 30.2571 177.0659 58 L 4.2843 7.7788 115.1610 55.6469 42.1785 176.3014 59 A 4.7765 7.7253 119.7904 52.7831 19.5906 177.1281 60 E 4.5970 8.1762 120.1405 57.2463 31.3694 176.2990 61 R 4.4030 8.0006 115.1449 56.6552 30.5862 176.3073 62 K 4.5131 7.9190 117.1215 55.8364 32.9275 175.8398 63 A 4.6341 7.9018 119.4158 52.0462 20.4890 177.8097 64 E 4.5684 7.9920 112.9242 56.3462 31.9053 177.1794 65 A 4.3572 8.1541 119.1325 52.9968 18.4418 177.2316 66 E 4.6377 8.0568 113.5933 55.9714 32.0337 176.3601 67 R 4.6720 8.0976 117.8254 53.0333 30.1005 175.6571 68 L 5.4215 7.2503 133.6621 56.7091 42.4395 174.8350 69 K 4.1553 7.9892 115.2486 57.2188 31.7191 176.3885 70 E 4.6522 7.9678 115.7038 56.2641 31.3650 176.6811 71 I 4.1131 7.7417 112.1998 61.6712 38.4706 177.0130 72 L 4.5619 7.7117 117.6121 54.3862 42.4025 176.3172 73 E 4.2360 8.1035 118.5882 57.0845 30.1012 175.6056 74 N 4.7807 7.8859 112.5180 55.3474 40.7117 174.7645 75 L 4.0528 7.4790 118.8435 55.1859 42.6423 176.4066 76 T 4.7524 8.2218 115.8260 60.2517 71.5046 172.4833 77 L 4.3162 8.0189 117.8275 56.7238 43.3910 174.5804 78 T 3.5011 8.0941 119.3841 63.5490 68.0264 171.4609 79 I 4.5307 8.8209 126.7872 58.6404 40.8234 174.3153 80 P 4.8128 0.0000 0.0000 62.0002 28.8276 175.2414 81 V 4.0847 7.9003 121.8194 61.4341 33.8579 175.2015 82 R 4.3693 8.5192 127.8207 56.4572 31.0335 175.2421 83 A 3.0480 7.7170 127.4745 50.9445 22.1994 176.5349 84 G 4.3263 7.2117 106.4318 43.3687 0.0000 174.2290 85 E 3.8406 8.0747 129.5870 57.6550 27.5265 176.6794 86 T 3.7427 8.2559 126.9523 66.2972 68.1073 173.2227 87 K 3.7805 8.3162 121.6226 57.4663 33.1729 176.4448 88 I 3.7365 8.1949 126.7736 63.0310 38.1396 175.1563 89 Y 4.1543 8.7892 123.9678 60.2146 37.8355 177.1603 90 G 4.1564 9.4760 121.1234 46.1576 0.0000 175.0087 91 S 4.2901 8.7741 121.7251 58.1807 63.3083 175.3858 92 V 4.2276 7.5266 122.4157 60.7066 30.7887 176.5249 93 T 4.2985 8.3284 118.6329 61.2148 72.0246 174.4765 94 A 4.0937 8.4071 120.8743 55.3487 18.5906 179.9624 95 K 3.6288 8.0152 116.6328 60.1673 32.1211 178.1793 96 D 4.4173 8.0364 118.7522 56.2278 40.5076 178.3667 97 I 3.6087 8.0090 119.2540 65.3210 37.4459 177.5810 98 A 3.8908 8.8644 121.3947 56.1383 17.6995 178.7905 99 E 3.6794 8.6988 114.0837 60.3666 29.3213 178.3866 100 A 4.5168 9.0055 117.1483 52.6984 18.5049 178.2469 101 L 3.9851 7.5115 122.1815 57.3327 43.1735 178.3618 102 S 5.1349 8.2690 114.2665 60.0776 62.0213 175.3071 103 R 4.5939 7.3779 116.5579 55.8377 32.2866 176.3014 104 Q 4.1961 7.8235 118.3290 58.3855 29.4646 175.8792 105 H 4.7047 9.5429 112.3590 57.4853 30.4275 174.2119 106 G 3.8868 7.6438 110.0804 44.3756 0.0000 174.0508 107 V 3.6645 7.6540 121.0080 63.5598 31.9760 174.3018 108 T 4.8155 8.0313 120.0788 61.9199 69.9906 174.2056 109 I 4.5126 7.8310 117.3867 60.1964 40.2455 173.2146 110 D 4.8072 8.8986 121.6689 52.5108 41.6119 176.1510 111 P 4.5957 0.0000 0.0000 64.0952 31.7857 176.7143 112 K 4.4232 7.7957 118.4102 57.2182 33.7971 177.7002 113 R 4.0576 7.6559 115.9002 56.4981 30.0335 178.1183 114 L 4.1162 7.4990 118.2147 55.6388 42.2789 176.9076 115 A 3.5941 7.7331 119.3434 53.2216 15.4657 178.8940 116 L 4.4206 7.3558 123.2468 52.7070 41.5430 175.3167 117 E 4.0079 8.4500 121.1420 58.3107 29.9215 178.0811 118 K 4.6371 7.5414 119.1348 52.9634 34.7692 174.7440 119 P 4.2999 0.0000 0.0000 63.1361 32.0160 178.9796 120 I 2.9574 7.9839 121.9211 60.4622 35.8797 174.3501 121 K 3.7595 8.7447 123.7773 56.2422 30.6935 174.3313 122 E 4.8434 7.4024 114.4923 55.6108 32.8525 175.7599 123 L 4.1449 8.0884 125.4523 54.5858 42.1819 177.9079 124 G 3.3885 6.5310 106.1746 44.6706 0.0000 171.5593 125 E 4.5365 7.9116 121.9789 55.1343 30.8019 175.5005 126 Y 4.7295 8.8181 124.4169 56.3327 39.7172 176.2457 127 V 4.4760 8.2448 127.2016 61.8260 29.6854 175.9669 128 L 4.5363 7.8903 123.0197 54.6539 44.4556 176.3720 129 T 4.5879 8.1754 116.4019 63.1046 72.0391 173.9310 130 Y 4.8398 8.5009 134.9824 56.7956 40.7060 174.4971 131 K 4.0076 7.4571 118.5701 55.4862 34.7556 171.6302 132 P 4.8548 0.0000 0.0000 61.5204 34.8385 176.7581 133 H 3.7041 8.3662 115.4905 55.7729 29.0414 174.6255 134 P 4.2253 0.0000 0.0000 61.4508 30.1848 174.9738 135 E 4.2732 8.4481 122.3702 56.4610 30.7237 177.7243 136 V 4.4798 8.2839 121.2120 59.2779 33.0628 171.8181 137 P 4.7749 0.0000 0.0000 63.1692 32.0311 175.8663 138 I 4.5212 8.3636 122.8390 59.7043 40.9156 173.6490 139 Q 5.0753 8.4453 123.1310 54.4817 32.1600 173.5076 140 L 4.8642 9.2023 127.6279 53.3500 45.2942 175.2760 141 K 4.8434 8.4889 124.9396 53.2912 33.5183 174.1411 142 V 3.9724 8.1271 117.5836 61.6947 33.0029 175.5695 143 S 4.6555 9.3949 122.2711 56.9296 65.2549 171.7267 144 V 4.8513 7.7139 119.5970 61.4032 32.9455 172.9283 145 V 3.1274 8.1391 122.1091 62.1187 32.1114 172.9983 *146 A 4.1219 8.3905 125.0325 52.5113 18.7144 176.6874 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 M 8.16 4.55 0.00 2.00 2.35 0.00 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.55 0.00 2 K 8.38 4.57 0.00 1.77 1.74 0.00 1.64 0.00 0.00 1.83 0.00 0.00 2.89 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.54 1.49 7.81 3 V 10.16 4.92 2.18 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 0.84 0.00 0.00 1.07 0.00 0.00 4 I 8.97 4.18 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 1.23 0.62 0.91 0.00 0.00 5 L 8.32 4.12 0.00 1.56 1.62 1.01 0.50 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 6 L 8.50 4.41 0.00 1.58 1.61 0.94 0.99 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 7 E 7.81 4.22 0.00 1.93 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 8 P 0.00 5.71 0.00 2.15 2.01 0.00 3.35 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.91 0.00 9 L 7.73 4.75 0.00 1.85 1.63 1.03 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.66 3.95 0.00 1.99 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.25 0.00 11 N 8.98 4.36 0.00 2.84 2.87 0.00 0.00 6.84 7.78 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 12 L 8.41 4.44 0.00 1.79 1.76 1.06 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 13 G 8.06 4.07 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 0.00 0.00 0.00 14 D 6.97 4.48 0.00 2.97 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 15 V 8.53 3.67 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.96 0.00 0.00 16 G 8.49 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 0.00 0.00 0.00 17 Q 8.32 4.09 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.32 0.00 18 V 8.32 4.67 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 0.88 0.00 0.00 0.94 0.00 0.00 19 V 8.60 4.74 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 0.82 0.00 0.00 0.96 0.00 0.00 20 D 8.68 5.41 0.00 2.70 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 21 V 8.50 4.66 2.32 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 0.88 0.00 0.00 1.12 0.00 0.00 22 K 8.65 4.03 0.00 1.89 1.80 0.00 1.55 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.53 1.53 7.81 23 P 0.00 4.35 0.00 2.18 2.16 0.00 3.62 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 2.14 2.22 0.00 24 G 8.14 3.72 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 0.00 0.00 0.00 25 Y 8.43 4.18 0.00 2.95 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 8.14 3.93 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 27 R 7.91 3.89 0.00 1.85 2.03 0.00 3.14 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.81 0.00 28 N 7.70 4.82 0.00 3.01 2.87 0.00 0.00 6.73 7.34 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 29 Y 7.45 4.50 0.00 2.56 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.10 3.50 0.00 1.74 1.57 1.07 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.32 3.91 0.00 1.75 1.70 0.97 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.22 0.00 2.03 2.08 0.00 3.70 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.24 0.00 33 R 7.76 4.17 0.00 1.38 1.72 0.00 2.21 0.00 0.00 2.87 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.48 0.00 34 G 7.40 3.82 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 0.00 0.00 0.00 35 L 7.33 4.38 0.00 1.52 1.61 0.64 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 36 A 6.98 4.51 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 37 V 7.79 4.51 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 0.94 0.00 0.00 0.92 0.00 0.00 38 L 8.40 4.55 0.00 1.55 1.58 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 39 A 8.44 4.52 1.25 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 0.00 0.00 0.00 40 T 7.75 4.12 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 41 E 9.02 4.00 0.00 2.03 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 2.41 2.43 0.00 42 S 8.36 4.00 0.00 3.86 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 43 N 8.68 4.26 0.00 2.74 2.88 0.00 0.00 7.16 6.02 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 44 L 8.60 3.96 0.00 1.81 1.76 0.97 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.26 3.97 0.00 1.98 2.06 0.00 1.33 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.45 7.81 46 A 7.96 3.96 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 47 L 8.25 3.89 0.00 1.75 1.90 0.92 1.01 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 48 E 7.85 3.86 0.00 2.05 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 2.32 2.51 0.00 49 A 8.24 3.87 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 50 R 8.06 3.91 0.00 1.99 2.02 0.00 3.13 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 51 I 7.89 3.73 2.10 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 1.58 0.74 0.91 0.00 0.00 52 R 8.64 4.13 0.00 2.03 2.08 0.00 2.81 0.00 0.00 3.17 7.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.61 0.00 53 A 8.01 3.71 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 Q 8.56 3.99 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.70 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 55 A 8.40 4.62 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 56 K 8.55 4.51 0.00 1.82 1.89 0.00 1.49 0.00 0.00 1.63 0.00 0.00 3.11 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.72 7.81 57 R 7.73 4.15 0.00 1.95 1.94 0.00 3.18 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 1.67 1.67 0.00 58 L 7.78 4.28 0.00 1.76 1.64 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 59 A 7.73 4.78 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 60 E 8.18 4.60 0.00 2.01 1.90 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 2.21 2.29 0.00 61 R 8.00 4.40 0.00 1.80 1.95 0.00 3.26 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 62 K 7.92 4.51 0.00 1.61 1.70 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.21 1.29 7.81 63 A 7.90 4.63 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 7.99 4.57 0.00 2.00 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 2.51 2.22 0.00 65 A 8.15 4.36 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 66 E 8.06 4.64 0.00 1.94 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.24 0.00 67 R 8.10 4.67 0.00 1.93 1.86 0.00 3.59 0.00 0.00 3.16 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.53 0.00 68 L 7.25 5.42 0.00 1.74 1.86 0.90 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 69 K 7.99 4.16 0.00 1.87 1.84 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.09 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.44 1.71 7.81 70 E 7.97 4.65 0.00 1.95 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 0.00 2.20 2.20 0.00 71 I 7.74 4.11 1.87 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 1.46 0.85 0.91 0.00 0.00 72 L 7.71 4.56 0.00 1.74 1.66 0.89 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 73 E 8.10 4.24 0.00 2.03 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 2.28 2.39 0.00 74 N 7.89 4.78 0.00 2.70 2.81 0.00 0.00 6.92 7.85 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 75 L 7.48 4.05 0.00 1.62 1.78 0.99 1.06 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 76 T 8.22 4.75 4.41 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 1.22 0.00 0.00 77 L 8.02 4.32 0.00 1.59 1.68 0.89 1.24 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 78 T 8.09 3.50 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 1.24 0.00 0.00 79 I 8.82 4.53 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.33 0.92 0.00 0.00 80 P 0.00 4.81 0.00 1.93 2.01 0.00 3.67 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 81 V 7.90 4.08 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 0.87 0.00 0.00 0.94 0.00 0.00 82 R 8.52 4.37 0.00 2.01 1.97 0.00 3.37 0.00 0.00 3.55 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 1.75 0.00 83 A 7.72 3.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 G 7.21 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 E 8.07 3.84 0.00 2.17 1.12 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 2.20 2.28 0.00 86 T 8.26 3.74 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 1.33 0.00 0.00 87 K 8.32 3.78 0.00 1.89 1.84 0.00 1.64 0.00 0.00 1.86 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.57 1.62 7.81 88 I 8.19 3.74 1.87 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 1.36 1.11 0.94 0.00 0.00 89 Y 8.79 4.15 0.00 2.96 2.63 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 90 G 9.48 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.77 4.29 0.00 4.21 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 92 V 7.53 4.23 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 0.78 0.00 0.00 0.94 0.00 0.00 93 T 8.33 4.30 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 94 A 8.41 4.09 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 95 K 8.02 3.63 0.00 1.82 1.88 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.53 7.81 96 D 8.04 4.42 0.00 2.95 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 97 I 8.01 3.61 1.99 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 1.46 1.54 0.91 0.00 0.00 98 A 8.86 3.89 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 99 E 8.70 3.68 0.00 2.17 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 2.32 2.38 0.00 100 A 9.01 4.52 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 0.00 101 L 7.51 3.99 0.00 1.79 1.78 0.75 1.05 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 0.00 102 S 8.27 5.13 0.00 3.95 4.11 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 0.00 0.00 0.00 103 R 7.38 4.59 0.00 1.76 1.89 0.00 3.21 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.69 0.00 104 Q 7.82 4.20 0.00 2.09 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.74 0.00 0.00 0.00 0.00 0.00 2.45 2.36 0.00 105 H 9.54 4.70 0.00 3.10 3.28 0.00 5.76 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 G 7.64 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 0.00 0.00 0.00 107 V 7.65 3.66 2.01 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 0.92 0.00 0.00 0.90 0.00 0.00 108 T 8.03 4.82 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 0.00 109 I 7.83 4.51 2.02 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 1.37 0.29 0.62 0.00 0.00 110 D 8.90 4.81 0.00 2.82 2.63 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 0.00 111 P 0.00 4.60 0.00 2.19 2.19 0.00 3.74 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 112 K 7.80 4.42 0.00 1.72 1.82 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.34 1.36 7.81 113 R 7.66 4.06 0.00 1.29 0.69 0.00 3.02 0.00 0.00 3.13 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.52 0.00 114 L 7.50 4.12 0.00 1.74 1.77 1.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 115 A 7.73 3.59 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 0.00 116 L 7.36 4.42 0.00 1.56 1.57 0.84 1.04 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 0.00 117 E 8.45 4.01 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 2.32 0.00 118 K 7.54 4.64 0.00 1.78 1.70 0.00 1.65 0.00 0.00 1.86 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.42 1.37 7.81 119 P 0.00 4.30 0.00 2.21 2.25 0.00 3.76 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.98 0.00 120 I 7.98 2.96 1.84 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.26 0.97 0.00 0.00 121 K 8.74 3.76 0.00 1.90 1.84 0.00 1.86 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.61 7.81 122 E 7.40 4.84 0.00 2.04 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.17 0.00 123 L 8.09 4.14 0.00 1.68 1.51 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 124 G 6.53 3.39 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 0.00 125 E 7.91 4.54 0.00 1.74 1.85 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 2.12 2.19 0.00 126 Y 8.82 4.73 0.00 3.07 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 0.00 127 V 8.24 4.48 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 0.83 0.00 0.00 0.96 0.00 0.00 128 L 7.89 4.54 0.00 1.62 1.66 0.81 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 129 T 8.18 4.59 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 0.00 130 Y 8.50 4.84 0.00 3.01 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 0.00 131 K 7.46 4.01 0.00 1.53 1.30 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.06 1.15 7.81 132 P 0.00 4.85 0.00 2.14 1.94 0.00 3.75 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.84 0.00 133 H 8.37 3.70 0.00 3.34 2.64 0.00 5.77 0.00 0.00 0.00 0.00 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 4.23 0.00 2.18 2.46 0.00 3.89 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 2.14 2.21 0.00 135 E 8.45 4.27 0.00 1.87 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 2.31 2.48 0.00 136 V 8.28 4.48 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 1.00 0.00 0.00 0.91 0.00 0.00 137 P 0.00 4.77 0.00 2.12 2.15 0.00 3.91 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.02 0.00 138 I 8.36 4.52 1.86 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.20 0.86 0.00 0.00 139 Q 8.45 5.08 0.00 2.11 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.86 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 140 L 9.20 4.86 0.00 1.79 1.66 0.96 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 141 K 8.49 4.84 0.00 1.70 1.67 0.00 1.99 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.71 1.26 7.81 142 V 8.13 3.97 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 0.85 0.00 0.00 1.04 0.00 0.00 143 S 9.39 4.66 0.00 3.82 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 0.00 144 V 7.71 4.85 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 1.05 0.00 0.00 0.87 0.00 0.00 145 V 8.14 3.13 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 0.79 0.00 0.00 0.91 0.00 0.00 *146 A 8.39 4.12 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 * Residues marked with a * may have inaccurate shift predictions.