NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.6872 8.2233 120.4836 54.2443 42.9232 173.6718 3 I 4.3925 8.3648 123.6060 59.2861 39.0580 173.4874 4 R 4.5451 9.7362 127.2352 54.4397 33.4575 174.0350 5 Y 5.0206 8.3312 120.3517 56.1529 40.5956 175.0231 6 F 4.7805 9.4625 122.6176 55.8420 42.6265 175.6486 7 G 3.8877 8.7236 110.6033 46.9019 0.0000 173.6589 8 T 4.1574 7.7288 113.9433 63.0184 69.4054 175.1203 9 T 4.4859 8.1968 116.4719 58.7006 71.3272 173.3920 10 P 4.0970 0.0000 0.0000 64.6120 31.4699 177.5465 11 R 4.4318 7.1735 117.5435 57.6208 31.3745 175.3510 12 Y 4.8158 7.5053 113.2799 56.0792 40.8975 172.8654 13 S 4.9819 8.4306 116.8476 56.9443 64.5006 174.2210 14 E 4.0802 8.3868 123.5000 59.2435 30.3454 177.1277 15 A 5.1663 8.0735 119.5710 50.3471 23.2622 175.3911 16 V 4.7945 9.2888 121.4848 60.9784 34.9604 174.5076 17 G 4.7337 9.3578 114.4722 44.6207 0.0000 171.9792 18 A 4.9940 9.3534 124.1578 52.1322 22.9820 176.1775 19 N 3.9492 9.7145 121.9383 54.5818 37.3914 174.7891 20 G 4.0923 7.8286 108.1018 45.9526 0.0000 172.3281 21 L 4.7198 7.8264 119.9292 54.4248 43.6269 176.2026 22 I 5.0139 8.4189 121.8074 59.8098 41.2961 174.1623 23 F 5.1221 9.5586 126.6744 55.7426 41.0261 174.9136 24 L 4.9742 8.6078 124.4393 53.4447 42.9102 177.1904 25 S 4.2578 8.9505 119.0395 58.4072 63.7083 175.9833 26 G 4.5405 8.5483 108.7555 44.7701 0.0000 173.0182 *28 V 3.4529 7.9933 117.3805 60.3271 32.2574 173.4925 29 P 4.3706 0.0000 0.0000 62.8472 31.6494 176.2000 30 E 4.6359 9.7171 121.4809 56.4895 31.3414 175.7786 31 N 4.9901 7.9833 114.0355 52.0890 42.7630 174.7997 32 G 4.1264 9.0271 104.8973 46.1368 0.0000 172.8332 33 E 4.5079 9.2544 118.3657 57.5777 31.9252 178.0822 34 T 4.2932 7.8957 108.0895 60.8168 71.3186 175.1302 35 A 4.0129 8.5968 123.0592 55.3926 18.3081 179.9722 36 A 3.9613 8.6977 119.5840 55.3264 18.5186 179.7516 37 E 3.9260 8.0521 116.6703 59.7348 29.5109 179.6403 38 Q 4.2048 8.2483 117.9968 58.9102 28.6947 178.7621 39 T 3.8010 8.1015 116.8522 66.4521 68.6115 176.4838 40 A 3.8986 7.9259 122.7426 55.1726 18.3937 179.2338 41 D 4.2024 8.0145 116.4171 57.3587 41.3036 178.6116 42 V 3.4640 7.8003 118.7543 66.1261 31.5905 178.0860 43 L 3.4455 7.9476 118.5422 57.3316 41.2660 179.4325 44 A 4.0213 7.7821 120.6919 55.0508 18.2239 179.7183 45 Q 3.9232 8.0119 116.5480 59.1703 28.7514 178.8007 46 I 3.8405 7.8759 120.8535 64.7910 37.2387 178.0704 47 D 4.4968 8.3235 119.4733 57.4454 40.6611 179.0426 48 R 3.7277 7.7215 118.5994 59.1984 30.0923 178.6693 49 W 4.3482 8.1958 118.8948 59.6064 28.9402 178.4703 50 L 3.9758 8.4429 119.1658 57.8832 40.9624 179.4786 51 A 3.8358 7.9426 120.4312 55.1619 18.0540 179.4996 52 E 3.9314 8.0005 116.2302 59.3680 29.5859 178.3969 53 C 4.0207 7.5208 113.9408 58.5566 28.6061 173.6725 54 G 3.8136 7.8983 109.1710 46.8784 0.0000 173.4432 55 S 4.8893 8.3567 115.1942 56.8729 65.6791 171.2258 56 D 4.5854 7.9567 118.3826 52.2758 41.3593 176.1327 57 K 3.6905 8.4584 117.8299 59.4756 32.2992 177.5827 58 A 4.1534 7.7608 120.4973 53.0426 18.6482 177.0146 59 H 4.8294 8.2937 113.5251 55.2708 30.0546 173.0207 60 V 4.3022 7.7894 119.2923 62.3547 32.4961 175.4435 61 L 4.4576 8.9554 127.2305 56.6727 43.3260 176.2346 62 D 5.3441 7.8579 116.2313 52.8400 45.2745 174.1021 63 A 5.0915 9.0775 125.9519 50.6123 23.1136 174.8907 64 V 4.4394 8.7076 123.1671 61.1011 33.9511 174.4326 65 I 4.6156 8.5065 129.3778 59.7881 39.2917 174.1892 66 Y 5.0323 8.8507 126.4832 56.8882 39.5021 174.7279 67 L 5.0512 8.7920 124.7745 52.8684 43.8762 177.4417 68 R 4.0934 8.7218 124.5906 58.7285 30.7459 175.2512 69 D 4.7501 7.6469 116.2038 52.9627 44.0213 174.7517 *71 G 4.0268 8.5808 105.0528 45.7291 0.0000 173.1341 72 D 4.7712 8.3744 119.7928 54.5071 40.9600 177.6944 73 Y 4.0308 8.1601 121.1794 60.8651 39.2411 177.1761 74 A 3.9919 8.2776 122.0905 55.3566 18.5148 179.8107 75 E 4.2452 7.6313 113.4389 57.1305 29.2120 178.0974 *77 N 4.7616 8.3121 117.0685 52.7248 40.6085 176.8538 78 G 3.7305 8.2427 104.2223 47.9641 0.0000 175.5282 79 V 3.8457 7.4052 120.6680 65.0893 31.6356 177.7970 80 W 4.2901 8.2462 127.6724 60.8868 30.3767 177.4577 81 D 4.4260 8.6672 117.4419 57.2626 40.3378 178.1997 82 A 4.2023 7.6749 118.8862 53.3179 18.6943 178.6118 83 W 4.3443 7.7489 126.0239 58.3492 31.8311 177.0732 84 V 2.7594 6.8164 116.8279 61.3248 31.2773 175.4159 85 A 3.8947 7.8118 125.0374 50.9339 18.7638 176.9287 86 A 3.9973 8.3389 126.6095 54.0100 18.7277 177.8954 87 G 4.0190 9.0858 110.4989 45.7184 0.0000 173.4667 88 R 4.6572 7.7201 118.5347 55.5391 31.0902 175.6530 89 T 4.1472 7.7914 107.6144 60.5571 70.1147 172.7740 90 P 4.7697 0.0000 0.0000 61.7540 33.2782 175.4232 91 A 4.2802 8.7011 122.1221 52.3862 19.3069 176.7372 92 R 5.2132 8.4273 119.8390 54.8106 33.8000 174.0021 93 A 4.7338 8.6868 125.1540 50.4418 23.1578 174.6160 94 C 5.0774 8.4928 120.0469 57.8519 34.3667 173.4863 95 V 4.5683 8.4970 118.2237 59.6392 36.4189 173.7955 96 E 5.0114 8.7076 123.1666 55.2041 30.2657 175.2645 97 A 4.6910 9.0646 128.2714 50.7842 23.0702 175.9873 98 R 4.0545 8.7244 121.5821 56.1470 30.3454 176.2201 99 L 4.6643 8.0965 120.2706 52.7110 44.2189 177.2536 100 A 4.1944 8.8749 121.5184 54.5596 18.4790 178.0186 101 R 4.2897 6.5804 114.4179 53.4378 32.8352 175.3078 102 P 4.2649 0.0000 0.0000 65.2907 31.5781 177.7851 103 E 4.1491 7.8099 116.1700 57.7844 29.7955 176.7833 104 W 4.6824 7.6823 120.1522 56.7134 29.5454 176.1433 105 R 4.7650 9.2069 122.2182 56.4439 31.6484 176.4233 106 V 5.0341 7.4897 117.0648 60.5286 34.3694 172.9387 107 E 4.6878 9.4906 124.7150 54.4587 33.1786 173.9640 108 I 4.9121 8.4314 126.4414 59.3309 40.3349 174.4729 109 K 4.5683 9.1804 129.0187 54.7778 34.2970 174.6326 110 I 5.0444 8.4209 127.8903 59.8820 40.3164 174.5451 111 T 4.8555 8.8267 122.2697 61.7688 71.5104 173.1900 112 A 5.0723 8.9712 126.9640 50.5409 23.5447 174.5665 113 V 4.8706 8.2477 111.2427 59.3335 34.7224 176.7535 114 K 4.3140 9.0140 123.9896 56.2732 32.5929 177.4441 115 R 3.9622 8.2330 123.6384 56.3452 30.8447 176.7516 116 D 4.4799 8.5228 121.3259 54.6612 41.0264 176.4252 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 D 8.22 4.69 0.00 2.71 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 3 I 8.36 4.39 1.81 0.00 0.00 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 1.28 0.65 0.27 0.00 0.00 4 R 9.74 4.55 0.00 1.65 1.40 0.00 3.11 0.00 0.00 3.27 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.54 0.00 5 Y 8.33 5.02 0.00 2.70 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 6 F 9.46 4.78 0.00 2.92 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 7 G 8.72 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 8 T 7.73 4.16 4.18 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 1.07 0.00 0.00 9 T 8.20 4.49 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 10 P 0.00 4.10 0.00 2.04 2.13 0.00 3.58 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.03 0.00 11 R 7.17 4.43 0.00 1.74 2.17 0.00 3.48 0.00 0.00 3.36 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.65 0.00 12 Y 7.51 4.82 0.00 3.24 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 13 S 8.43 4.98 0.00 3.92 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 14 E 8.39 4.08 0.00 1.16 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 2.23 1.82 0.00 15 A 8.07 5.17 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 16 V 9.29 4.79 2.14 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 0.68 0.00 0.00 1.02 0.00 0.00 17 G 9.36 4.73 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 0.00 0.00 0.00 18 A 9.35 4.99 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 19 N 9.71 3.95 0.00 2.77 2.88 0.00 0.00 7.21 7.98 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 20 G 7.83 4.09 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 0.00 0.00 0.00 21 L 7.83 4.72 0.00 1.90 1.50 1.06 0.86 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 22 I 8.42 5.01 1.80 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.67 0.89 0.00 0.00 23 F 9.56 5.12 0.00 2.91 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 24 L 8.61 4.97 0.00 1.71 1.61 0.96 0.88 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 25 S 8.95 4.26 0.00 3.75 3.65 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 0.00 0.00 0.00 0.00 26 G 8.55 4.54 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 0.00 *28 V 7.99 3.45 0.96 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 -0.44 0.00 0.00 0.06 0.00 0.00 29 P 0.00 4.37 0.00 1.98 1.95 0.00 2.27 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.95 0.00 30 E 9.72 4.64 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 2.27 2.36 0.00 31 N 7.98 4.99 0.00 2.75 2.66 0.00 0.00 7.18 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 32 G 9.03 4.13 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 0.00 0.00 0.00 33 E 9.25 4.51 0.00 1.91 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 2.26 2.23 0.00 34 T 7.90 4.29 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 35 A 8.60 4.01 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 36 A 8.70 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 37 E 8.05 3.93 0.00 2.19 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 38 Q 8.25 4.20 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.57 2.56 0.00 39 T 8.10 3.80 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 40 A 7.93 3.90 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 41 D 8.01 4.20 0.00 2.80 2.77 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 0.00 0.00 0.00 42 V 7.80 3.46 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 0.87 0.00 0.00 0.84 0.00 0.00 43 L 7.95 3.45 0.00 1.22 0.30 0.56 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 44 A 7.78 4.02 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 45 Q 8.01 3.92 0.00 2.37 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.70 0.00 0.00 0.00 0.00 0.00 2.42 2.62 0.00 46 I 7.88 3.84 1.94 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.83 1.09 0.00 0.00 47 D 8.32 4.50 0.00 2.97 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 48 R 7.72 3.73 0.00 1.79 1.65 0.00 2.21 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.53 0.00 49 W 8.20 4.35 0.00 3.49 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 L 8.44 3.98 0.00 1.92 1.85 1.09 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 51 A 7.94 3.84 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 52 E 8.00 3.93 0.00 2.20 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 2.24 2.15 0.00 53 C 7.52 4.02 0.00 2.77 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 54 G 7.90 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 S 8.36 4.89 0.00 3.73 3.71 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 56 D 7.96 4.59 0.00 2.83 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 57 K 8.46 3.69 0.00 0.79 1.39 0.00 0.61 0.00 0.00 1.43 0.00 0.00 2.50 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.09 0.92 7.81 58 A 7.76 4.15 1.20 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 59 H 8.29 4.83 0.00 3.28 3.33 0.00 5.81 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 60 V 7.79 4.30 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 0.97 0.00 0.00 1.04 0.00 0.00 61 L 8.96 4.46 0.00 1.68 1.67 0.86 0.61 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 62 D 7.86 5.34 0.00 2.75 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 A 9.08 5.09 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 64 V 8.71 4.44 1.79 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 0.33 0.00 0.00 0.86 0.00 0.00 65 I 8.51 4.62 1.60 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.16 0.77 0.00 0.00 66 Y 8.85 5.03 0.00 2.87 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 67 L 8.79 5.05 0.00 1.61 1.60 1.05 0.99 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 68 R 8.72 4.09 0.00 2.06 2.02 0.00 3.30 0.00 0.00 3.04 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.47 0.00 69 D 7.65 4.75 0.00 2.70 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 *71 G 8.58 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 D 8.37 4.77 0.00 2.94 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 73 Y 8.16 4.03 0.00 2.80 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 A 8.28 3.99 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 75 E 7.63 4.25 0.00 2.18 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 2.32 2.30 0.00 *77 N 8.31 4.76 0.00 2.74 2.76 0.00 0.00 6.89 7.60 0.00 0.00 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 G 8.24 3.73 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 0.00 0.00 0.00 79 V 7.41 3.85 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 1.00 0.00 0.00 0.98 0.00 0.00 80 W 8.25 4.29 0.00 3.47 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 81 D 8.67 4.43 0.00 2.73 2.77 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 0.00 0.00 0.00 82 A 7.67 4.20 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 83 W 7.75 4.34 0.00 3.23 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 84 V 6.82 2.76 1.57 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 0.54 0.00 0.00 0.36 0.00 0.00 85 A 7.81 3.89 1.02 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 0.00 0.00 86 A 8.34 4.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 G 9.09 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 R 7.72 4.66 0.00 1.61 1.74 0.00 3.06 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.44 0.00 89 T 7.79 4.15 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 1.17 0.00 0.00 90 P 0.00 4.77 0.00 2.26 2.37 0.00 3.95 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.25 0.00 91 A 8.70 4.28 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 92 R 8.43 5.21 0.00 1.83 1.69 0.00 2.21 0.00 0.00 3.01 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.25 0.00 93 A 8.69 4.73 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 0.00 0.00 0.00 0.00 0.00 94 C 8.49 5.08 0.00 2.84 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 95 V 8.50 4.57 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 0.64 0.00 0.00 1.04 0.00 0.00 96 E 8.71 5.01 0.00 1.97 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 2.25 2.47 0.00 97 A 9.06 4.69 1.20 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 98 R 8.72 4.05 0.00 1.80 1.87 0.00 3.18 0.00 0.00 3.21 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 99 L 8.10 4.66 0.00 2.01 1.93 1.13 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 100 A 8.87 4.19 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 0.00 101 R 6.58 4.29 0.00 0.67 1.18 0.00 2.49 0.00 0.00 2.99 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.50 0.00 102 P 0.00 4.26 0.00 1.97 2.05 0.00 3.45 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.00 0.00 103 E 7.81 4.15 0.00 2.01 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 2.29 2.33 0.00 104 W 7.68 4.68 0.00 3.45 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 R 9.21 4.77 0.00 1.90 2.13 0.00 3.20 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.89 0.00 106 V 7.49 5.03 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 0.57 0.00 0.00 0.91 0.00 0.00 107 E 9.49 4.69 0.00 2.02 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 2.28 2.20 0.00 108 I 8.43 4.91 1.83 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 1.13 0.74 0.94 0.00 0.00 109 K 9.18 4.57 0.00 1.89 1.69 0.00 1.70 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.48 7.81 110 I 8.42 5.04 1.94 0.00 0.00 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 1.42 0.90 0.98 0.00 0.00 111 T 8.83 4.86 4.13 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 0.66 0.00 0.00 112 A 8.97 5.07 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 V 8.25 4.87 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 0.70 0.00 0.00 1.00 0.00 0.00 114 K 9.01 4.31 0.00 1.58 1.73 0.00 1.77 0.00 0.00 1.73 0.00 0.00 2.88 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.68 1.43 7.81 115 R 8.23 3.96 0.00 1.64 1.78 0.00 3.07 0.00 0.00 3.12 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.39 0.00 116 D 8.52 4.48 0.00 2.66 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 * Residues marked with a * may have inaccurate shift predictions.