NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 E 4.1835 8.4444 121.4706 55.7999 30.7527 175.0375 9 M 3.9919 9.2107 125.1776 54.7259 32.2627 173.5804 10 N 5.3085 8.3218 124.1987 52.2707 44.2201 171.5074 11 Y 5.3833 7.8070 117.7781 56.0378 41.0141 173.5678 12 E 4.7649 9.1411 120.2251 54.3739 32.9406 174.8958 13 E 4.1753 9.2023 126.2202 56.5258 29.6547 176.4086 14 V 4.1057 8.3075 121.0270 63.0275 32.9343 175.6822 15 F 4.8922 6.7415 111.8170 56.5435 40.6002 172.9019 16 S 5.3985 9.4279 114.8702 56.8924 67.1469 173.4747 17 I 5.2141 8.9506 121.9399 60.1225 41.2802 174.5785 18 T 4.8545 9.0559 124.1077 62.2507 70.2180 173.5045 19 I 4.7712 8.8026 128.6699 60.0766 39.6299 175.0359 20 T 4.9744 8.6992 123.4365 62.2203 70.1799 174.2495 21 V 4.8316 8.2331 119.4694 59.4890 34.6162 175.2073 22 D 4.7177 8.6512 123.7257 52.9640 42.4585 176.0575 23 K 4.1429 8.5495 120.0201 55.9158 32.5613 175.4615 24 P 4.5522 0.0000 0.0000 63.0037 32.3809 176.5732 25 I 4.2129 9.0041 125.0365 59.8342 37.8192 174.5070 26 L 4.2204 8.3645 129.8931 55.2783 42.1813 175.8282 27 I 4.1293 8.7011 128.4710 61.5200 37.6058 176.1851 28 G 4.0734 7.4394 105.7120 46.1789 0.0000 170.7587 29 Q 5.7751 8.8043 120.0004 54.3597 32.5458 172.9536 30 D 4.7369 8.4003 123.2553 52.2292 43.5295 174.8144 31 D 4.8472 8.6108 115.7938 54.4362 40.9023 177.0983 32 I 4.3467 7.9288 120.5164 62.8273 39.3604 177.3515 33 V 3.7660 8.4730 112.8132 62.1346 32.3576 176.5168 34 G 3.7354 8.0600 105.0788 43.7448 0.0000 170.8764 35 R 4.9353 8.6764 121.0203 54.7152 32.1035 176.2141 36 R 5.1486 8.9368 128.1054 54.7642 32.1870 174.8537 37 Q 5.0249 9.1401 123.2710 54.7380 32.9164 173.2974 38 L 5.0474 8.9766 120.9893 53.2314 44.5220 175.5396 39 I 4.6300 8.8568 125.5294 58.8839 38.8550 173.3649 40 P 4.7571 0.0000 0.0000 62.5257 32.5883 175.7243 41 I 4.2956 8.3508 125.9847 60.7693 37.3538 175.8555 42 I 4.1450 8.8731 129.6176 63.8118 37.8468 175.9217 43 S 4.5385 7.2143 113.9601 57.7656 66.5186 172.9463 44 G 4.2472 7.8392 103.3020 45.6141 0.0000 172.2890 45 K 4.9508 8.5679 124.3435 54.3000 35.1527 174.7023 46 V 4.9601 8.5471 127.7040 61.6166 33.6240 174.6833 47 S 5.3243 8.8801 123.1833 55.6428 67.3889 173.4581 48 G 4.3377 8.0349 109.5843 46.0438 0.0000 172.1245 49 N 4.5624 8.9428 119.1507 54.3104 39.0788 174.0312 50 N 4.3610 9.0508 122.7543 53.9661 36.8189 175.2283 51 F 4.6689 7.8256 117.7242 56.9506 40.3391 171.5188 52 N 5.3715 7.6412 120.4451 50.8053 42.5996 174.4914 53 G 4.0968 8.0717 109.7067 45.8915 0.0000 171.7412 54 K 5.0354 7.9619 119.5858 55.4855 36.6462 175.8605 55 V 4.4182 8.3526 121.5056 62.6401 32.1773 175.8511 56 L 4.5444 9.0112 127.9279 53.0374 43.0240 174.7523 57 P 4.3485 0.0000 0.0000 63.3991 31.7542 177.1584 58 G 3.9981 8.9296 107.5244 44.9605 0.0000 173.7318 59 G 4.2901 7.8671 107.9965 46.8479 0.0000 173.1513 60 I 5.1823 8.3533 124.3572 59.6352 42.0091 173.3757 61 D 5.1982 9.3660 127.1017 52.8345 42.9620 174.8653 62 S 5.0016 8.9248 122.2017 57.3339 63.8060 172.7351 63 Q 5.1138 9.0946 126.1858 54.0401 32.7344 174.3678 64 I 4.8362 8.7848 123.0399 59.2460 41.3854 174.2048 65 V 4.5105 8.7017 130.6316 61.5524 32.2899 175.9288 66 R 4.4182 9.0428 128.2154 55.1500 30.7140 176.2963 67 P 4.3553 0.0000 0.0000 65.8401 31.3116 177.5569 68 D 4.4301 7.9599 114.8648 54.1725 39.5327 176.9736 69 G 3.9214 8.5362 109.4924 44.8199 0.0000 173.2148 70 K 4.2980 8.6740 122.9331 55.7127 33.7104 174.9398 71 C 4.9334 9.0774 128.7790 58.5974 33.1092 171.7128 72 E 5.0695 9.3547 126.4497 54.7219 31.4626 174.8997 73 L 5.1562 8.7776 124.1458 52.9384 45.5178 175.7255 74 S 4.9163 9.2949 117.2129 56.7905 65.3341 172.1028 75 A 5.2965 9.1879 130.1759 50.4361 21.6734 175.5412 76 R 5.0760 8.5920 120.4474 54.7201 33.4617 174.6242 77 Y 5.2986 8.1391 120.5343 56.5801 41.9946 172.7263 78 A 5.3359 8.6757 119.9914 50.2156 23.3120 174.8791 79 I 5.0335 8.8562 112.5989 59.0223 41.3541 174.2620 80 R 4.9400 8.8987 124.5794 54.6750 32.3364 175.3829 81 L 4.7434 8.6902 126.9456 53.5141 43.1800 177.7227 82 D 4.3139 8.7915 120.6171 55.7036 39.4560 177.0071 83 D 4.4919 7.9167 117.9426 53.6149 39.7960 177.0737 84 G 3.8775 8.1726 109.2534 45.0455 0.0000 173.9984 85 A 4.3063 8.0829 121.6647 51.7974 19.5825 176.4207 86 A 5.1625 8.4945 120.8957 50.2418 22.3431 176.0879 87 I 4.5511 8.3671 119.6673 59.7074 41.3251 173.7922 88 Y 4.9377 9.0067 128.8794 56.3360 40.7293 174.0734 89 I 4.3914 8.0969 127.2925 59.1460 40.5548 173.8607 90 E 4.7664 8.2730 128.1261 54.2348 31.9378 173.9006 91 N 5.0734 9.2675 126.6947 52.0194 41.5156 172.6601 92 N 5.3907 8.7958 124.7021 51.8325 41.4330 173.9924 93 G 4.0331 8.7596 112.0587 45.8083 0.0000 171.4459 94 I 5.4073 8.5980 112.9230 59.3214 41.7910 174.5035 95 R 5.1673 9.1286 124.1180 54.9251 32.9654 174.0517 96 T 5.1340 9.2642 116.0212 60.0541 72.4376 173.1965 97 V 4.8461 8.1967 114.4391 58.6622 35.7695 173.9464 98 P 4.4552 0.0000 0.0000 62.6843 32.2751 177.1794 99 D 4.4491 9.0126 120.7973 57.8578 40.7497 179.0007 100 E 4.1068 8.0893 113.6168 57.8126 29.9386 177.0826 101 Y 4.5338 8.2691 117.4683 58.0616 38.5108 177.4608 102 I 3.7216 7.4976 120.9900 64.3757 37.4784 177.4926 103 E 4.0841 8.2342 118.6334 59.5075 29.1169 179.0090 104 A 3.9797 7.9962 118.6285 55.4076 18.5524 179.5057 105 V 3.7117 7.9668 114.7636 64.8015 31.5261 177.0416 106 K 4.6333 7.6846 117.3380 55.7063 33.1547 176.3828 *110 F 4.5706 7.8592 117.9564 57.8039 38.8898 175.0429 111 V 4.2658 7.8778 119.0997 58.8367 33.6936 175.5177 112 D 4.2566 8.3489 118.6982 54.0772 41.0855 175.9516 113 P 4.4722 0.0000 0.0000 65.6050 31.5685 177.8864 114 N 4.5038 8.3254 113.9433 54.7928 38.6445 176.1607 115 A 3.8006 7.4920 121.5899 54.7627 18.4983 177.7302 116 Y 4.7318 7.1941 113.6285 58.1262 38.9575 175.1824 117 Y 4.5037 9.0380 125.6150 56.5471 40.5982 174.1942 118 F 5.3456 8.3451 129.0756 56.6391 42.1335 173.0551 119 R 5.0307 8.8441 124.2644 54.5758 34.7214 174.5146 120 T 5.0410 8.8182 111.9285 60.2689 73.4413 172.6076 121 I 4.7902 8.8287 123.3144 58.9861 39.4418 173.3008 122 P 4.9440 0.0000 0.0000 62.1374 32.9789 175.3456 123 T 4.3950 8.1399 118.5658 61.7642 71.0718 173.3548 124 F 5.3625 8.4115 123.3786 55.5904 42.3060 174.3229 125 E 4.7443 9.2067 122.5176 54.6669 32.8978 174.6095 126 T 4.2641 7.9034 114.9909 59.5866 73.0916 173.1138 127 Y 4.8538 7.9434 117.0675 57.2687 39.8624 175.3380 128 S 4.7273 7.8440 112.6362 56.3447 65.1821 173.2062 129 P 4.3803 0.0000 0.0000 65.0967 31.4484 178.5871 130 K 3.8233 8.1249 118.6371 58.7458 32.3201 176.6868 131 Y 4.5584 7.7293 113.7328 57.4880 38.5527 177.4353 132 K 4.2295 8.0450 122.3276 57.7355 32.0019 178.9922 133 W 4.4583 8.3062 117.2624 59.8390 27.7489 177.8491 134 M 4.0899 6.9476 118.2262 57.3100 31.3024 177.3320 135 M 4.6045 7.6576 116.9336 55.2296 32.6500 175.9463 136 N 5.1363 8.1156 115.3903 52.8978 40.0976 173.5460 137 H 5.0348 8.2424 113.9027 53.9405 32.9457 172.8159 138 I 4.4595 8.0371 121.5953 61.0395 38.5558 175.0327 139 F 5.4575 8.8389 122.8171 55.9114 43.2164 174.2402 140 V 4.6874 9.1165 119.8837 61.3457 35.3564 173.6123 141 C 4.9493 9.2749 126.7872 57.6902 34.3098 172.0646 142 C 4.7235 8.7525 123.7186 58.1640 29.6270 172.7613 143 A 5.0130 7.9427 124.3755 49.9177 22.0933 175.1040 144 S 4.8893 8.6431 112.6216 56.6483 67.0267 172.7679 145 R 5.0540 8.8511 121.5447 54.7219 31.8771 174.9002 146 L 4.9654 8.9666 125.5084 51.9208 45.3575 175.6988 147 P 2.9713 0.0000 0.0000 65.0278 31.3520 177.6184 148 E 4.5922 7.8711 114.2914 55.6907 30.4922 174.5511 149 N 5.6914 7.9132 116.1874 51.8093 43.6797 173.7588 150 V 4.9152 8.6713 122.2227 59.7963 34.8001 173.9648 151 L 5.0932 8.6251 125.9753 53.3694 44.2114 174.8573 152 L 5.0139 8.9937 125.8661 52.7151 45.5545 175.4931 153 K 4.7238 8.7154 122.3810 54.5515 35.3909 174.9689 154 F 4.9721 8.6752 124.1567 55.8188 41.5088 174.4008 155 Y 5.1860 9.0939 120.5972 56.0345 41.5231 174.5756 156 K 3.9414 9.2810 126.3787 55.7871 33.8056 175.5477 157 I 4.5951 8.3535 129.3741 60.7579 37.8634 176.1840 158 S 4.4432 8.6723 123.0164 58.6521 62.4414 174.3526 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 8 E 8.44 4.18 0.00 1.94 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 2.19 2.25 0.00 9 M 9.21 3.99 0.00 2.03 2.01 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.63 0.00 10 N 8.32 5.31 0.00 2.81 2.58 0.00 0.00 6.69 7.56 0.00 0.00 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 Y 7.81 5.38 0.00 3.09 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 12 E 9.14 4.76 0.00 1.90 1.86 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 2.18 2.28 0.00 13 E 9.20 4.18 0.00 2.07 1.88 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 2.04 1.62 0.00 14 V 8.31 4.11 2.31 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 1.03 0.00 0.00 1.11 0.00 0.00 15 F 6.74 4.89 0.00 3.26 2.82 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 16 S 9.43 5.40 0.00 3.78 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 17 I 8.95 5.21 2.15 0.00 0.00 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 1.53 1.31 1.09 0.00 0.00 18 T 9.06 4.85 4.27 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 1.22 0.00 0.00 19 I 8.80 4.77 1.96 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.73 0.82 0.00 0.00 20 T 8.70 4.97 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 1.25 0.00 0.00 21 V 8.23 4.83 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 0.62 0.00 0.00 0.96 0.00 0.00 22 D 8.65 4.72 0.00 2.69 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.55 4.14 0.00 1.81 1.79 0.00 1.85 0.00 0.00 1.79 0.00 0.00 3.06 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.50 1.50 7.81 24 P 0.00 4.55 0.00 1.95 2.08 0.00 3.77 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.23 0.00 25 I 9.00 4.21 1.97 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 1.13 0.76 0.92 0.00 0.00 26 L 8.36 4.22 0.00 1.64 1.57 0.94 1.08 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 27 I 8.70 4.13 1.99 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 1.17 0.98 0.91 0.00 0.00 28 G 7.44 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 29 Q 8.80 5.78 0.00 2.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.70 0.00 0.00 0.00 0.00 0.00 2.23 2.28 0.00 30 D 8.40 4.74 0.00 2.77 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 31 D 8.61 4.85 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 32 I 7.93 4.35 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 1.41 0.48 0.91 0.00 0.00 33 V 8.47 3.77 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 0.64 0.00 0.00 1.02 0.00 0.00 34 G 8.06 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 0.00 0.00 0.00 35 R 8.68 4.94 0.00 1.82 1.77 0.00 3.28 0.00 0.00 3.05 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.52 0.00 36 R 8.94 5.15 0.00 1.94 1.88 0.00 3.16 0.00 0.00 3.43 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 37 Q 9.14 5.02 0.00 2.18 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.55 0.00 0.00 0.00 0.00 0.00 2.21 2.32 0.00 38 L 8.98 5.05 0.00 1.59 1.62 0.94 0.71 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 39 I 8.86 4.63 1.89 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 1.38 1.07 0.94 0.00 0.00 40 P 0.00 4.76 0.00 2.08 1.98 0.00 3.60 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 41 I 8.35 4.30 1.81 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.44 0.76 0.00 0.00 42 I 8.87 4.15 1.96 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 1.33 0.75 0.91 0.00 0.00 43 S 7.21 4.54 0.00 3.85 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 44 G 7.84 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 0.00 0.00 0.00 0.00 45 K 8.57 4.95 0.00 1.83 1.67 0.00 1.63 0.00 0.00 1.59 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.36 7.81 46 V 8.55 4.96 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 1.01 0.00 0.00 1.00 0.00 0.00 47 S 8.88 5.32 0.00 3.82 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 48 G 8.03 4.34 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 0.00 49 N 8.94 4.56 0.00 2.74 2.80 0.00 0.00 6.99 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 50 N 9.05 4.36 0.00 3.03 2.96 0.00 0.00 6.86 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 51 F 7.83 4.67 0.00 3.31 2.91 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 52 N 7.64 5.37 0.00 2.90 2.66 0.00 0.00 6.74 7.77 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 53 G 8.07 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 0.00 0.00 0.00 0.00 54 K 7.96 5.04 0.00 1.88 1.86 0.00 1.30 0.00 0.00 1.56 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.29 1.38 7.81 55 V 8.35 4.42 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 0.82 0.00 0.00 0.98 0.00 0.00 56 L 9.01 4.54 0.00 1.70 1.62 0.93 1.18 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 57 P 0.00 4.35 0.00 2.05 2.01 0.00 3.67 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 2.03 2.09 0.00 58 G 8.93 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 59 G 7.87 4.29 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 0.00 60 I 8.35 5.18 1.93 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 1.27 1.27 0.94 0.00 0.00 61 D 9.37 5.20 0.00 2.69 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.92 5.00 0.00 3.97 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 63 Q 9.09 5.11 0.00 1.97 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.53 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 64 I 8.78 4.84 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 1.11 1.23 0.95 0.00 0.00 65 V 8.70 4.51 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 0.89 0.00 0.00 0.87 0.00 0.00 66 R 9.04 4.42 0.00 2.08 1.83 0.00 3.35 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.74 0.00 67 P 0.00 4.36 0.00 2.03 2.12 0.00 3.67 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.08 0.00 68 D 7.96 4.43 0.00 2.78 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 69 G 8.54 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.67 4.30 0.00 1.84 1.81 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.40 7.81 71 C 9.08 4.93 0.00 2.95 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 72 E 9.35 5.07 0.00 1.90 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 2.25 2.27 0.00 73 L 8.78 5.16 0.00 1.67 1.86 0.87 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 74 S 9.29 4.92 0.00 3.85 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 75 A 9.19 5.30 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 0.00 0.00 0.00 0.00 0.00 0.00 76 R 8.59 5.08 0.00 1.89 2.02 0.00 3.25 0.00 0.00 3.37 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 77 Y 8.14 5.30 0.00 3.11 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 78 A 8.68 5.34 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 79 I 8.86 5.03 1.78 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.70 1.02 0.00 0.00 80 R 8.90 4.94 0.00 1.79 1.74 0.00 3.04 0.00 0.00 3.12 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.65 0.00 81 L 8.69 4.74 0.00 1.38 1.21 -0.52 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 82 D 8.79 4.31 0.00 2.71 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 D 7.92 4.49 0.00 2.81 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 84 G 8.17 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 85 A 8.08 4.31 1.09 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 86 A 8.49 5.16 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 87 I 8.37 4.55 1.63 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.23 0.71 0.00 0.00 88 Y 9.01 4.94 0.00 3.18 2.93 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 89 I 8.10 4.39 0.77 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 1.18 0.66 0.50 0.00 0.00 90 E 8.27 4.77 0.00 1.80 1.60 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 0.00 2.12 2.30 0.00 91 N 9.27 5.07 0.00 2.87 2.76 0.00 0.00 6.56 6.46 0.00 0.00 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 N 8.80 5.39 0.00 2.68 2.68 0.00 0.00 6.29 6.95 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 93 G 8.76 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 94 I 8.60 5.41 1.96 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.96 0.96 0.00 0.00 95 R 9.13 5.17 0.00 1.14 1.42 0.00 2.21 0.00 0.00 2.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.00 0.00 96 T 9.26 5.13 4.29 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 1.28 0.00 0.00 97 V 8.20 4.85 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 0.61 0.00 0.00 0.99 0.00 0.00 98 P 0.00 4.46 0.00 2.52 2.07 0.00 3.61 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.19 0.00 99 D 9.01 4.45 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 0.00 100 E 8.09 4.11 0.00 1.83 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 1.47 1.75 0.00 101 Y 8.27 4.53 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 0.00 102 I 7.50 3.72 1.97 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 1.55 0.67 0.92 0.00 0.00 103 E 8.23 4.08 0.00 1.95 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 2.38 2.31 0.00 104 A 8.00 3.98 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 0.00 105 V 7.97 3.71 2.24 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 0.86 0.00 0.00 1.02 0.00 0.00 106 K 7.68 4.63 0.00 1.95 1.78 0.00 1.78 0.00 0.00 1.78 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.53 7.81 *110 F 7.86 4.57 0.00 3.12 3.10 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 0.00 111 V 7.88 4.27 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 0.71 0.00 0.00 0.22 0.00 0.00 112 D 8.35 4.26 0.00 2.69 2.31 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 0.00 113 P 0.00 4.47 0.00 2.28 2.34 0.00 3.66 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.32 0.00 114 N 8.33 4.50 0.00 2.83 2.85 0.00 0.00 6.97 6.67 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 0.00 115 A 7.49 3.80 0.15 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 0.00 116 Y 7.19 4.73 0.00 2.89 2.82 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 0.00 117 Y 9.04 4.50 0.00 3.14 2.91 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 0.00 118 F 8.35 5.35 0.00 2.89 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 0.00 119 R 8.84 5.03 0.00 1.55 1.56 0.00 3.03 0.00 0.00 2.89 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.89 0.00 120 T 8.82 5.04 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 121 I 8.83 4.79 1.87 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 1.29 1.29 0.96 0.00 0.00 122 P 0.00 4.94 0.00 1.23 2.17 0.00 3.90 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.27 0.00 123 T 8.14 4.40 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 1.13 0.00 0.00 124 F 8.41 5.36 0.00 2.88 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 0.00 125 E 9.21 4.74 0.00 2.07 1.89 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 2.07 2.24 0.00 126 T 7.90 4.26 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 0.95 0.00 0.00 127 Y 7.94 4.85 0.00 2.98 2.94 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 0.00 128 S 7.84 4.73 0.00 3.96 3.90 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 0.00 129 P 0.00 4.38 0.00 2.23 2.11 0.00 3.69 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.10 0.00 130 K 8.12 3.82 0.00 1.53 1.30 0.00 1.59 0.00 0.00 1.42 0.00 0.00 2.81 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.64 1.21 7.81 131 Y 7.73 4.56 0.00 2.98 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 0.00 132 K 8.05 4.23 0.00 1.85 1.89 0.00 1.69 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.68 1.47 7.81 133 W 8.31 4.46 0.00 3.79 3.43 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 0.00 134 M 6.95 4.09 0.00 1.17 1.71 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.81 0.00 135 M 7.66 4.60 0.00 2.02 2.20 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.76 0.00 136 N 8.12 5.14 0.00 2.78 2.78 0.00 0.00 6.69 7.92 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 0.00 137 H 8.24 5.03 0.00 3.07 2.97 0.00 5.69 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 0.00 138 I 8.04 4.46 1.90 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.96 0.96 0.00 0.00 139 F 8.84 5.46 0.00 2.97 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 V 9.12 4.69 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 0.94 0.00 0.00 0.93 0.00 0.00 141 C 9.27 4.95 0.00 2.37 2.54 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 0.00 142 C 8.75 4.72 0.00 2.94 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 0.00 143 A 7.94 5.01 -0.32 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 0.00 144 S 8.64 4.89 0.00 3.92 3.98 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 0.00 145 R 8.85 5.05 0.00 1.57 1.52 0.00 3.41 0.00 0.00 3.31 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.80 0.00 146 L 8.97 4.97 0.00 1.82 1.48 0.98 0.85 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 0.00 147 P 0.00 2.97 0.00 1.70 1.43 0.00 3.51 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.95 0.00 148 E 7.87 4.59 0.00 1.90 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 2.18 2.10 0.00 149 N 7.91 5.69 0.00 2.64 2.63 0.00 0.00 6.53 8.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 V 8.67 4.92 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 0.89 0.00 0.00 0.88 0.00 0.00 151 L 8.63 5.09 0.00 1.78 1.52 0.99 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 152 L 8.99 5.01 0.00 1.63 1.00 1.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 153 K 8.72 4.72 0.00 1.65 1.32 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.24 1.29 7.81 154 F 8.68 4.97 0.00 1.86 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 Y 9.09 5.19 0.00 2.76 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 0.00 156 K 9.28 3.94 0.00 1.93 1.69 0.00 1.29 0.00 0.00 1.56 0.00 0.00 2.73 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.21 0.92 7.81 157 I 8.35 4.60 1.95 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 1.36 0.96 0.94 0.00 0.00 158 S 8.67 4.44 0.00 3.65 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.