NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 S 4.4148 8.3344 115.4150 57.8591 64.9445 173.6199 6 D 4.5370 7.9405 119.1509 52.5097 41.6616 173.6474 7 L 3.8920 8.7956 120.9580 55.9778 43.0384 176.3253 8 I 3.8664 8.3308 127.3101 60.8250 37.6880 174.0704 9 P 4.5030 0.0000 0.0000 61.5904 32.3190 175.9518 10 A 2.6867 8.3011 123.8845 51.3625 18.7134 175.8663 11 P 4.3099 0.0000 0.0000 61.2113 32.4438 174.2310 12 P 4.3188 0.0000 0.0000 62.1662 32.0378 177.4245 13 L 3.5964 8.5568 121.9306 57.5695 41.6928 179.4067 14 S 4.0924 7.8674 111.6823 60.2574 63.0461 174.8699 15 K 4.1434 8.2838 119.6594 56.3430 32.0885 176.8717 16 V 4.1507 7.1890 119.8575 59.7818 31.2354 173.3162 17 P 4.3376 0.0000 0.0000 62.5403 31.9470 174.9157 18 L 4.8891 7.9135 121.3046 52.8883 44.3462 175.6774 19 Q 4.0667 8.7498 128.4759 56.4680 29.2652 176.0935 20 Q 4.1957 8.8159 125.5737 55.9246 29.9320 175.3207 21 N 4.1831 8.8006 116.2179 53.7746 36.3822 175.0002 22 F 4.2668 8.4236 118.3260 58.8814 40.2238 174.2183 23 Q 4.2718 8.4504 127.8384 53.5861 28.8691 175.7572 24 D 4.9509 8.6068 123.7546 55.3988 39.4911 177.9404 25 N 4.7729 7.9365 114.7083 52.6225 37.4742 175.1920 26 Q 4.3122 7.8301 117.6124 56.2036 30.9538 176.4179 27 F 4.9161 8.2449 118.3628 59.6907 39.8901 174.8971 28 H 4.4636 7.5502 114.5093 56.0911 29.0323 174.3596 29 G 3.5124 9.0448 105.4335 43.8013 0.0000 171.7958 30 K 4.5824 7.7262 119.3978 55.2178 33.2669 176.9085 31 W 5.0486 8.7504 126.1244 55.1106 33.2949 173.7180 32 Y 4.6831 9.1720 121.6530 56.6098 39.8124 175.5484 33 V 4.1808 8.3014 124.2707 62.4899 30.4727 175.5208 34 V 4.0082 8.5499 129.1080 64.7575 33.0031 175.7998 35 G 4.0043 8.0905 106.0978 44.1729 0.0000 171.6462 36 L 5.3574 8.8589 124.4582 53.2062 45.6635 174.8799 37 A 5.1534 9.6653 127.4406 50.1982 23.0203 174.8589 38 G 3.8809 7.9972 106.1041 45.7519 0.0000 174.2141 39 N 4.5147 8.0022 117.5848 54.2639 37.4687 176.0414 40 R 4.4548 7.6645 116.1714 55.9166 31.6197 175.6468 41 I 4.0705 7.4180 120.8828 60.3688 37.8921 174.5859 42 L 5.0087 8.1347 124.4035 52.5566 44.4861 176.3331 43 R 4.0095 9.2212 126.6239 56.4575 30.9260 175.8193 44 D 4.5950 8.5807 125.3588 52.8502 43.1019 175.2276 45 D 4.4928 8.9053 126.1035 56.4224 41.1114 177.9487 46 Q 4.2012 8.1092 117.2911 57.8065 29.4606 175.9696 47 H 4.8972 8.0504 114.4054 52.9795 29.1384 171.3789 48 P 4.3936 0.0000 0.0000 62.9337 32.5379 176.3292 49 M 4.4487 8.3813 120.1105 54.8996 33.6940 174.9766 50 N 4.9331 8.7062 123.0756 53.0513 39.7304 174.7154 51 M 4.5143 8.9106 123.2454 56.0182 33.3975 174.5704 52 Y 5.1478 8.3451 121.1158 55.3996 42.6407 173.2193 53 A 5.1525 8.8664 119.9202 50.4061 22.9822 175.2782 54 T 4.9350 8.6531 115.3084 61.8025 72.8355 173.1455 55 I 4.7153 8.7382 126.9337 59.6643 40.2870 174.1375 56 Y 4.4739 9.1065 125.6786 56.4878 39.6158 174.7989 57 E 4.9996 8.8780 125.8013 54.0780 31.6696 175.6839 58 L 4.4016 8.9587 127.9429 55.3916 43.0078 176.9219 59 K 4.5468 9.2822 126.7061 54.9109 34.0746 177.8185 60 E 3.9518 8.8540 119.2189 59.7882 29.4071 177.8837 61 D 4.5718 8.0150 115.4900 53.1384 39.1704 176.9273 62 K 3.9336 7.9306 116.9656 56.9791 30.5148 176.0576 63 S 4.9123 8.4961 115.3198 57.7061 65.7847 172.3398 64 Y 5.4234 9.0553 117.4372 56.4031 41.1201 175.0537 65 N 4.8198 9.2542 121.2981 52.1721 40.3887 174.3267 66 V 4.1409 8.7160 125.6688 61.3758 33.3962 174.3459 67 T 4.9328 8.4301 125.7534 61.9454 70.9438 173.7547 68 S 5.0750 8.8516 122.7673 56.7248 65.7056 173.2190 69 V 4.2418 8.8092 124.7883 61.0627 33.6148 174.3018 70 I 4.9215 8.4880 128.3939 59.4798 41.1051 174.2887 71 S 5.2375 8.4953 120.1342 56.8125 63.7274 173.4810 72 S 4.4488 9.0313 119.4947 58.8801 65.7719 174.2320 73 H 4.1297 9.4791 118.4762 57.0728 26.0899 175.8481 74 K 3.9054 8.3711 114.6600 56.7589 30.3443 175.7721 75 K 4.6359 7.9710 118.5891 54.7002 34.8405 173.9291 76 C 5.3456 8.6283 117.2552 55.5152 42.9264 173.3807 77 E 4.8284 9.2136 124.4470 54.9973 31.3032 174.6096 78 Y 5.0654 8.8004 121.8375 56.3358 40.4765 175.1706 79 T 4.8297 8.7139 113.5558 59.9668 72.5731 172.9080 80 I 5.1649 8.3251 122.2258 59.7675 41.1447 174.4524 81 A 4.7664 8.7948 125.3073 50.7749 23.3785 174.9515 82 T 4.9949 8.5640 115.7199 61.9707 71.3080 173.5338 83 F 5.5152 9.1917 126.3326 56.3365 40.6667 175.0763 84 V 4.5775 8.7790 125.2572 60.9412 32.9101 173.5176 85 P 4.2667 0.0000 0.0000 63.4449 31.5035 176.7570 86 G 4.2041 8.1013 113.0517 45.9749 0.0000 175.0310 87 S 4.3906 8.7809 115.8339 60.4639 63.8588 174.4604 88 Q 4.4720 7.3828 118.7559 53.1164 32.5756 172.1725 89 P 4.3318 0.0000 0.0000 64.2289 31.6279 176.6037 90 G 2.8291 8.1095 110.6366 44.4419 0.0000 172.1985 91 E 4.9912 7.5114 120.9959 54.5879 32.6209 174.5912 92 F 5.5202 9.2622 122.7773 56.5791 44.4153 173.1933 93 T 5.0644 8.8911 109.9704 59.7063 72.4181 173.2547 94 L 4.3347 8.5984 125.5786 55.2508 41.6614 177.6184 95 G 3.7913 8.8632 119.0960 45.7026 0.0000 174.0943 *97 I 3.9676 7.9894 108.5486 60.9111 37.6969 174.4185 98 K 4.3830 8.1377 127.1435 56.2567 33.3017 177.6391 99 S 4.5262 8.4621 118.3628 57.1871 62.5581 175.4192 100 Y 3.5591 7.0844 135.0000 57.0784 37.4787 176.4074 *105 S 4.2776 7.4739 114.5582 58.5094 63.3756 172.3663 106 Y 4.8612 7.7987 122.2194 55.8468 41.0476 174.2460 107 L 5.1309 8.8473 129.7558 53.3469 45.1007 175.1473 108 V 4.6653 8.9429 124.5542 61.0333 35.0379 174.1704 109 R 4.8422 8.9609 127.6437 54.4478 33.3770 174.0240 110 V 3.8182 8.6002 128.0250 62.8674 31.7620 176.6177 111 V 3.8998 8.4214 128.9876 64.8552 32.1059 176.3414 112 S 4.7870 7.5717 112.7782 57.8024 65.5855 173.1719 113 T 3.8093 8.6819 119.5166 61.1712 70.4530 172.6092 114 D 4.6363 7.3647 125.6054 52.6115 39.7785 178.5729 115 Y 4.1857 7.9447 117.5950 59.2816 37.5439 170.0158 116 N 4.9681 8.5015 113.5226 52.2541 38.6727 173.7166 117 Q 4.6779 8.4526 118.8967 57.5490 31.5038 173.9287 118 Y 5.8238 8.9284 115.1466 55.8120 42.4625 173.2019 119 A 4.3526 8.7682 120.7411 50.5867 23.1436 175.2172 120 V 4.7815 9.2313 123.3515 61.2011 33.9567 174.7996 121 V 4.7825 8.5826 126.8952 61.1035 35.1425 173.5278 122 F 5.3557 9.2860 130.0984 56.7304 41.6062 174.2846 123 F 5.0188 8.5889 123.8019 55.4652 42.9826 174.1897 124 K 4.2525 8.2797 123.4913 54.7572 35.8284 174.3342 125 L 4.6714 8.2567 130.2831 53.2274 44.0113 174.9872 126 A 4.3831 8.9449 130.2930 50.8414 19.8896 174.2323 127 E 3.4083 8.8485 125.7693 56.7076 28.0051 174.3759 *130 A 4.1866 8.3122 125.4451 51.7831 19.7879 175.2245 131 E 5.2557 8.0252 117.5715 55.7213 31.8893 175.2588 132 F 4.9130 7.5047 116.7351 57.1189 41.6776 172.0697 133 F 4.9265 8.5374 112.4368 55.4969 41.4625 173.4709 134 A 4.8852 8.8442 121.3405 50.9516 23.4235 175.0195 135 I 5.4993 9.6880 120.3271 60.0193 41.7948 174.9204 136 T 5.0778 9.1964 115.4937 59.7894 72.8375 172.5076 137 I 4.6407 7.9214 122.9838 59.5226 40.4155 174.2486 138 Y 5.3191 9.3923 128.6980 57.2565 40.0312 174.9550 139 G 4.8409 9.4404 108.0815 44.7271 0.0000 174.0385 140 R 4.1832 9.2277 121.3994 57.9606 30.7254 176.2785 141 T 4.6636 7.8188 107.1264 59.3146 71.6722 173.6770 142 K 4.0882 8.0462 118.5064 57.1466 32.1988 176.9294 143 E 4.8408 7.7335 117.9838 54.5871 33.3547 174.7537 144 L 4.8258 8.0914 119.0095 52.5598 46.1474 176.3761 145 A 4.0852 8.4150 123.5724 52.2015 19.1022 178.6713 146 S 4.0559 8.8675 116.0421 61.8593 62.2301 176.8015 147 E 4.2138 7.9992 121.8768 58.6787 29.2173 179.2114 148 L 3.8681 7.8418 119.1268 57.7554 41.7432 179.6379 149 K 4.2423 8.0030 117.9404 59.6003 31.5009 179.1341 150 E 4.0944 8.5746 119.1868 59.5322 29.3703 179.1734 151 N 4.4734 8.3555 116.5935 56.0946 38.5118 177.2956 152 F 4.4394 8.4038 122.4452 61.2270 39.4295 177.4116 153 I 3.6044 8.1072 119.6466 64.3965 36.8935 178.6208 154 R 3.9575 8.1983 118.9847 59.1651 29.6434 178.9622 155 F 4.2533 8.2178 119.6609 61.2170 39.6664 177.1330 156 S 3.9110 7.9664 114.7868 61.4687 62.4651 176.6344 157 K 4.5719 8.4509 122.9805 59.0005 31.6730 179.3998 158 S 3.7052 7.9676 112.6012 60.5209 62.7098 175.3990 159 L 4.3954 7.7261 121.6038 54.1576 41.6488 176.9664 160 G 3.8542 8.9991 108.2872 45.2237 0.0000 173.3822 161 L 4.4506 7.5857 120.3605 51.9408 42.7200 174.7754 162 P 4.7973 0.0000 0.0000 61.8096 32.7045 177.1075 163 E 4.0222 8.7216 117.8306 59.4150 29.4972 178.7389 164 N 4.6356 8.2136 114.0706 54.3003 37.9748 175.3943 165 H 5.6076 8.2666 115.7632 54.9132 29.1023 173.4829 166 I 5.0353 7.5830 119.7674 59.6383 39.9623 175.3945 167 V 4.4932 8.8652 119.3388 59.5381 36.1147 174.9691 168 F 5.0090 8.5949 121.0468 53.8068 40.4340 173.0250 169 P 4.5386 0.0000 0.0000 63.0729 32.1227 176.3130 170 V 3.8927 9.0531 124.3676 61.9145 32.5983 173.5848 171 P 4.7280 0.0000 0.0000 62.8287 31.6790 175.6624 172 I 4.6891 8.3430 116.4193 59.2968 40.7597 174.4969 173 D 4.7767 8.4386 118.7462 55.1290 42.6225 177.6535 174 Q 4.1424 7.8806 117.8770 56.8107 29.3748 178.6013 175 C 4.2091 8.8204 117.4237 58.2664 39.5631 174.1991 176 I 3.9183 7.8117 110.5472 61.5425 37.9090 175.9504 177 D 4.7397 8.2712 120.1917 53.4986 40.9224 176.4942 178 G 4.3158 8.0529 114.2474 46.1579 0.0000 173.9292 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 5 S 8.33 4.41 0.00 4.00 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 6 D 7.94 4.54 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 7 L 8.80 3.89 0.00 1.65 1.65 1.01 1.11 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 8 I 8.33 3.87 1.98 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.52 1.05 0.00 0.00 9 P 0.00 4.50 0.00 2.11 2.02 0.00 3.79 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.93 0.00 10 A 8.30 2.69 1.07 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 11 P 0.00 4.31 0.00 1.92 1.79 0.00 2.89 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 12 P 0.00 4.32 0.00 2.14 2.12 0.00 3.56 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.89 0.00 13 L 8.56 3.60 0.00 1.63 1.66 0.88 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 14 S 7.87 4.09 0.00 3.91 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 15 K 8.28 4.14 0.00 1.76 1.73 0.00 1.54 0.00 0.00 1.52 0.00 0.00 2.85 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.27 7.81 16 V 7.19 4.15 1.72 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 0.46 0.00 0.00 -0.02 0.00 0.00 17 P 0.00 4.34 0.00 2.12 1.93 0.00 3.66 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 2.10 2.10 0.00 18 L 7.91 4.89 0.00 1.50 1.45 0.74 0.67 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 19 Q 8.75 4.07 0.00 2.12 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.69 0.00 0.00 0.00 0.00 0.00 2.40 2.53 0.00 20 Q 8.82 4.20 0.00 2.01 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.57 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 21 N 8.80 4.18 0.00 2.90 2.91 0.00 0.00 6.89 7.45 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 22 F 8.42 4.27 0.00 3.15 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 23 Q 8.45 4.27 0.00 1.28 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.53 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 24 D 8.61 4.95 0.00 3.02 3.32 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 25 N 7.94 4.77 0.00 2.76 2.91 0.00 0.00 5.81 7.39 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 26 Q 7.83 4.31 0.00 1.11 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.98 0.00 0.00 0.00 0.00 0.00 2.01 1.87 0.00 27 F 8.24 4.92 0.00 3.19 3.38 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 28 H 7.55 4.46 0.00 3.62 3.71 0.00 5.59 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 29 G 9.04 3.51 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 0.00 0.00 0.00 0.00 30 K 7.73 4.58 0.00 1.54 1.41 0.00 1.48 0.00 0.00 1.09 0.00 0.00 2.57 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.69 1.00 7.81 31 W 8.75 5.05 0.00 2.43 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 32 Y 9.17 4.68 0.00 3.22 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 33 V 8.30 4.18 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.21 0.00 0.00 34 V 8.55 4.01 2.29 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 1.02 0.00 0.00 1.12 0.00 0.00 35 G 8.09 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.86 5.36 0.00 1.63 1.44 0.98 1.18 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 37 A 9.67 5.15 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 G 8.00 3.88 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 0.00 0.00 0.00 39 N 8.00 4.51 0.00 2.81 3.02 0.00 0.00 6.81 8.38 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 40 R 7.66 4.45 0.00 1.63 1.87 0.00 3.33 0.00 0.00 3.24 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.49 0.00 41 I 7.42 4.07 2.15 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.93 0.91 0.00 0.00 42 L 8.13 5.01 0.00 1.41 1.48 0.88 0.78 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 43 R 9.22 4.01 0.00 1.94 1.90 0.00 3.42 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 44 D 8.58 4.59 0.00 2.78 2.50 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 45 D 8.91 4.49 0.00 2.73 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 46 Q 8.11 4.20 0.00 2.27 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.25 0.00 0.00 0.00 0.00 0.00 2.40 2.49 0.00 47 H 8.05 4.90 0.00 3.03 3.21 0.00 5.86 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 P 0.00 4.39 0.00 2.21 2.09 0.00 3.75 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 49 M 8.38 4.45 0.00 2.17 1.98 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.68 0.00 50 N 8.71 4.93 0.00 2.69 2.78 0.00 0.00 6.98 7.66 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 51 M 8.91 4.51 0.00 2.08 2.08 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.64 0.00 52 Y 8.35 5.15 0.00 3.22 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 A 8.87 5.15 0.93 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 0.00 0.00 54 T 8.65 4.93 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 55 I 8.74 4.72 1.74 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.67 0.82 0.00 0.00 56 Y 9.11 4.47 0.00 2.50 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 0.00 0.00 0.00 0.00 57 E 8.88 5.00 0.00 1.95 1.92 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 2.23 2.19 0.00 58 L 8.96 4.40 0.00 1.88 1.68 0.94 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 59 K 9.28 4.55 0.00 1.96 1.76 0.00 1.76 0.00 0.00 2.04 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.56 7.81 60 E 8.85 3.95 0.00 2.09 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 2.30 2.26 0.00 61 D 8.01 4.57 0.00 2.82 2.83 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 0.00 0.00 0.00 62 K 7.93 3.93 0.00 2.02 2.07 0.00 1.72 0.00 0.00 1.94 0.00 0.00 3.15 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.36 1.53 7.81 63 S 8.50 4.91 0.00 4.19 4.12 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 64 Y 9.06 5.42 0.00 3.01 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 65 N 9.25 4.82 0.00 2.83 2.74 0.00 0.00 6.39 8.44 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 66 V 8.72 4.14 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 -0.14 0.00 0.00 -0.27 0.00 0.00 67 T 8.43 4.93 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 1.25 0.00 0.00 68 S 8.85 5.08 0.00 3.67 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 8.81 4.24 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 0.45 0.00 0.00 0.40 0.00 0.00 70 I 8.49 4.92 1.75 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.49 0.79 0.00 0.00 71 S 8.50 5.24 0.00 3.88 3.76 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 72 S 9.03 4.45 0.00 3.78 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 73 H 9.48 4.13 0.00 3.30 3.38 0.00 5.82 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 K 8.37 3.91 0.00 1.94 1.97 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.46 7.81 75 K 7.97 4.64 0.00 1.92 1.73 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.57 7.81 76 C 8.63 5.35 0.00 3.02 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 77 E 9.21 4.83 0.00 1.83 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 2.27 2.28 0.00 78 Y 8.80 5.07 0.00 2.77 2.86 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 79 T 8.71 4.83 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 1.19 0.00 0.00 80 I 8.33 5.16 1.85 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 1.27 0.68 0.92 0.00 0.00 81 A 8.79 4.77 1.16 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 82 T 8.56 4.99 4.35 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 1.34 0.00 0.00 83 F 9.19 5.52 0.00 3.04 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 84 V 8.78 4.58 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 1.07 0.00 0.00 85 P 0.00 4.27 0.00 1.98 1.93 0.00 3.84 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.42 0.00 86 G 8.10 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 87 S 8.78 4.39 0.00 3.94 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 136 T 9.20 5.08 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 1.23 0.00 0.00 137 I 7.92 4.64 1.07 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 1.25 1.54 0.41 0.00 0.00 138 Y 9.39 5.32 0.00 2.37 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 0.00 139 G 9.44 4.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 R 9.23 4.18 0.00 1.71 1.88 0.00 2.57 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.51 0.00 141 T 7.82 4.66 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 1.22 0.00 0.00 142 K 8.05 4.09 0.00 1.56 1.70 0.00 1.47 0.00 0.00 1.51 0.00 0.00 2.65 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.54 0.60 7.81 143 E 7.73 4.84 0.00 1.83 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.20 0.00 144 L 8.09 4.83 0.00 1.61 1.54 1.12 1.01 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 0.00 145 A 8.41 4.09 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 0.00 146 S 8.87 4.06 0.00 3.85 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 0.00 147 E 8.00 4.21 0.00 2.02 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 2.39 2.25 0.00 148 L 7.84 3.87 0.00 1.81 1.55 0.90 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 149 K 8.00 4.24 0.00 1.83 1.74 0.00 1.15 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.61 1.66 7.81 150 E 8.57 4.09 0.00 2.15 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 0.00 2.34 2.57 0.00 151 N 8.36 4.47 0.00 2.97 2.89 0.00 0.00 6.65 8.25 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 0.00 152 F 8.40 4.44 0.00 3.15 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 0.00 153 I 8.11 3.60 2.15 0.00 0.00 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.08 0.96 0.00 0.00 154 R 8.20 3.96 0.00 2.07 2.02 0.00 3.16 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.97 0.00 155 F 8.22 4.25 0.00 3.02 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 0.00 156 S 7.97 3.91 0.00 3.78 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 0.00 157 K 8.45 4.57 0.00 1.87 1.84 0.00 1.68 0.00 0.00 1.79 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.57 1.48 7.81 158 S 7.97 3.71 0.00 3.98 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 0.00 159 L 7.73 4.40 0.00 1.47 1.75 0.31 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 160 G 9.00 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 0.00 161 L 7.59 4.45 0.00 1.74 1.53 0.71 0.86 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 0.00 162 P 0.00 4.80 0.00 2.25 2.21 0.00 3.64 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.05 0.00 163 E 8.72 4.02 0.00 2.08 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 2.44 2.33 0.00 164 N 8.21 4.64 0.00 2.82 3.04 0.00 0.00 6.17 7.90 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 0.00 165 H 8.27 5.61 0.00 3.43 3.40 0.00 5.76 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 0.00 166 I 7.58 5.04 1.96 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 1.11 0.72 0.74 0.00 0.00 167 V 8.87 4.49 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 0.76 0.00 0.00 0.90 0.00 0.00 168 F 8.59 5.01 0.00 2.95 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 0.00 169 P 0.00 4.54 0.00 2.15 2.30 0.00 3.82 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.19 0.00 170 V 9.05 3.89 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 1.05 0.00 0.00 0.98 0.00 0.00 171 P 0.00 4.73 0.00 1.95 1.93 0.00 3.68 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 2.02 2.09 0.00 172 I 8.34 4.69 1.89 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.71 0.96 0.00 0.00 173 D 8.44 4.78 0.00 2.67 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 0.00 174 Q 7.88 4.14 0.00 2.13 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.08 0.00 0.00 0.00 0.00 0.00 2.46 2.39 0.00 175 C 8.82 4.21 0.00 3.13 3.20 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 0.00 176 I 7.81 3.92 2.06 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.76 1.03 0.00 0.00 177 D 8.27 4.74 0.00 2.74 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 0.00 178 G 8.05 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.