NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.5817 8.3133 118.0441 56.9169 42.4054 173.3488 2 E 4.8471 8.3324 118.9345 54.4398 31.3738 172.9469 3 E 4.2534 9.8666 119.8492 57.3280 30.8489 175.2576 4 P 3.8327 0.0000 0.0000 61.3143 31.9984 174.4875 5 P 4.4396 0.0000 0.0000 62.9729 31.8469 176.0697 6 T 4.8462 7.9172 109.6947 60.1488 71.0152 173.5305 7 F 4.6991 8.4261 122.5042 56.3874 43.2326 175.6855 8 E 4.1137 8.9606 117.9038 58.7783 30.1213 178.8708 9 A 2.9536 8.0858 122.8171 53.2100 18.9292 176.5969 10 M 5.3556 7.4979 110.8471 53.4821 34.9720 174.2133 11 E 4.9722 9.0910 116.8883 54.5144 33.8441 174.3543 12 L 4.2450 8.5374 121.1114 54.7973 43.3462 175.9082 13 I 4.2136 8.1137 124.1025 61.7900 38.6116 176.4324 14 G 3.8612 9.0536 115.0765 44.8364 0.0000 173.1354 15 K 4.0128 8.1807 120.3801 53.7083 31.9081 174.3467 16 P 4.5362 0.0000 0.0000 61.5867 30.2314 176.0802 17 K 4.3832 8.9107 123.8580 54.3526 32.9242 176.4308 18 P 4.6261 0.0000 0.0000 65.3062 31.6245 175.7120 19 Y 5.2121 7.2999 117.3043 56.0863 41.7637 174.0495 20 Y 4.5498 8.0716 123.9984 55.9161 40.4790 176.3519 21 E 4.2138 8.3434 123.0872 56.6854 30.6766 176.0182 22 I 3.9807 8.3451 119.9893 61.6654 38.4789 177.2326 23 G 3.9234 8.9341 112.7701 45.3122 0.0000 173.3246 24 E 4.2388 7.5544 121.1456 56.0390 30.7790 175.3547 25 R 5.1535 8.6242 126.1305 54.6702 32.8518 175.0171 26 V 4.3602 8.6552 124.0824 61.0875 35.0937 173.8348 27 D 5.1961 8.3181 125.5745 52.6936 44.0806 174.5422 28 Y 5.2806 8.4767 119.0764 56.0388 41.0911 175.1049 29 K 4.7706 8.7434 120.1673 54.9790 36.5595 174.7278 30 C 4.7989 8.7334 118.5757 56.7434 41.9361 174.0455 31 K 4.3854 9.1573 122.8239 55.6907 33.3227 176.5396 32 K 3.9708 8.6669 123.1353 58.4130 32.4280 176.1687 33 G 3.9595 9.1864 114.1618 45.2476 0.0000 172.4400 34 Y 5.5174 8.1156 116.1310 56.2953 40.9645 175.1570 35 F 5.2290 9.3257 115.1462 55.4866 42.2631 172.9846 36 Y 4.8638 8.8255 121.3617 57.1603 40.2710 174.0085 37 I 4.4553 7.4312 126.3694 58.6479 40.4089 173.9314 38 P 4.3746 0.0000 0.0000 61.6813 31.9180 174.0795 39 P 4.8570 0.0000 0.0000 62.4961 31.3376 175.0854 40 L 4.0243 7.6918 118.3565 55.2193 42.0361 176.2897 41 A 4.4235 8.1266 122.8626 52.1838 19.5098 177.3720 42 T 4.8109 8.1974 111.8061 61.2259 69.9163 172.7810 43 H 5.4260 8.1129 115.3817 55.9618 32.1300 171.8253 44 T 4.9206 8.7492 112.0655 60.9431 71.2678 172.3502 45 I 5.2307 8.5679 126.0062 59.6199 41.8456 175.0673 46 C 4.4777 8.5980 124.4044 55.1803 44.1435 173.3356 47 D 4.7715 8.0226 128.7126 52.9698 40.0243 177.1897 48 R 4.0401 8.4711 117.1124 59.1467 30.0244 175.7437 49 N 4.9432 7.8010 120.6444 54.2958 38.7815 175.4340 50 H 4.7701 9.1006 107.9094 54.6611 30.1430 173.2819 51 T 4.5586 7.7838 108.4717 59.2948 72.1332 173.5365 52 W 4.6785 8.5054 123.3636 56.5164 29.7889 176.0993 53 L 4.2648 8.6479 123.4512 54.6228 42.0233 175.5256 54 P 4.6710 0.0000 0.0000 62.9006 31.9354 176.4384 55 V 4.4121 8.1501 121.3037 60.6380 33.8457 172.8719 56 S 4.9923 8.1889 115.7411 56.7918 66.0346 172.7758 57 D 4.5380 8.1874 117.3855 53.3131 39.7163 178.5359 58 D 4.0489 7.8938 121.7103 57.9884 41.2949 177.7632 59 A 3.6741 7.6226 120.3416 53.7877 19.5920 177.5065 60 C 4.9160 7.2515 113.3436 55.7400 39.8669 173.3191 61 Y 4.9009 7.9752 122.4209 56.3093 39.9046 175.7376 62 R 4.4300 8.6013 118.4484 55.3220 31.2216 175.7835 63 E 4.3569 9.3038 122.7836 57.1140 30.6294 176.2529 64 T 5.0051 8.5609 116.4550 60.8303 71.2366 174.4064 65 C 4.7241 8.5491 119.9794 54.5832 42.0552 172.4695 66 P 4.6745 0.0000 0.0000 62.5299 31.6357 176.1164 67 Y 4.9279 8.8586 122.5139 58.1607 39.2702 175.6418 68 I 4.1173 7.4269 126.1708 59.0282 38.8630 175.9901 69 R 3.7888 7.9001 124.8319 55.4830 30.5929 176.6425 70 D 4.4309 8.6139 121.0952 54.1528 41.4268 175.1709 71 P 4.2773 0.0000 0.0000 62.1935 32.0265 175.5067 72 L 3.9562 8.2205 122.6745 56.7779 42.3746 176.6006 73 N 4.0365 8.9971 120.9198 53.7276 36.3339 173.5277 74 G 4.2097 7.9190 106.2454 45.7462 0.0000 172.1321 75 Q 4.8004 8.7305 118.6748 54.8855 33.9057 173.8087 76 A 4.5544 8.7052 126.5064 50.4224 20.0833 175.5213 77 V 4.3115 7.8567 115.0908 59.5588 34.0909 174.1767 78 P 4.5616 0.0000 0.0000 62.4481 31.7750 175.9475 79 A 4.5273 8.5147 125.6990 52.0745 19.1923 176.8921 80 N 4.7800 8.3114 116.4565 56.8917 44.3873 176.6048 *82 T 4.4074 7.6766 107.7016 59.9132 70.8557 176.3700 83 Y 3.9613 8.3274 121.8974 59.6462 37.0789 169.7786 84 E 4.3296 7.9781 118.8357 56.0213 30.0481 176.5681 85 F 4.2049 8.0159 118.6637 58.0801 38.2957 174.1348 86 G 4.0724 9.3595 112.4825 46.0355 0.0000 174.1359 *87 Y 4.8198 7.4706 119.1445 55.7604 40.2564 177.6311 88 Q 5.4195 8.5398 115.0278 55.8515 33.1357 173.4274 89 M 4.9211 8.9817 118.3760 53.8887 35.2486 173.5413 90 H 5.3118 8.9030 125.2766 54.3570 32.8804 172.7240 91 F 5.2946 8.6394 123.0910 55.7211 41.6625 174.7453 92 I 4.7167 8.7624 123.5366 59.7025 40.7365 173.6754 93 C 5.1622 8.7094 123.0844 55.1224 39.5609 173.9413 94 N 4.5369 8.4777 123.1629 53.3045 39.1099 174.6192 95 E 4.1296 8.5896 115.4186 57.5350 30.1263 173.2933 96 G 3.9499 9.3054 110.9287 45.3001 0.0000 172.5073 97 Y 5.2525 7.7688 115.1511 56.2300 42.1315 174.3005 98 Y 5.0056 8.8326 119.8652 55.0661 41.6654 174.3853 99 L 4.8152 8.7084 123.3698 54.6874 43.5617 175.7149 100 I 4.2454 8.5426 118.6651 60.4583 40.0120 172.9517 101 G 3.5862 8.8843 116.9339 45.9643 0.0000 167.2733 102 E 3.5394 8.1839 127.1219 56.1616 26.1910 174.0372 103 E 4.4757 8.2855 120.1863 56.6736 31.1092 175.9631 104 I 5.2650 7.4421 120.1881 59.8683 41.6008 174.4798 105 L 4.6254 8.7307 125.1821 53.0478 45.1815 175.5795 106 Y 4.9830 8.4079 122.4795 58.1899 39.5592 174.3639 107 C 4.6806 9.2140 124.5488 55.5230 43.0015 172.2123 108 E 5.0227 8.6384 125.7266 54.4675 32.3280 174.8473 109 L 4.4052 8.1772 123.7682 53.8068 43.1493 176.0890 110 K 4.3614 8.7495 126.4038 55.3010 34.6081 177.6352 111 G 3.9421 8.3059 117.4376 46.9192 0.0000 175.2541 112 S 4.4594 8.9490 121.3963 58.1859 63.9013 173.7551 113 V 4.2447 7.2816 120.2575 60.7537 33.2293 173.6558 114 A 5.0788 8.2915 127.3184 50.3715 20.7586 176.0399 115 I 4.5373 8.2545 115.0404 58.8657 42.1368 174.2085 116 W 5.1776 8.4866 121.8391 55.7234 30.6195 177.1040 117 S 4.7146 9.2388 117.8382 57.7892 63.0074 173.8315 118 G 3.8860 7.2650 109.1247 45.7763 0.0000 172.5498 119 K 4.1435 8.2448 120.6448 54.5385 32.8550 174.6628 120 P 3.6202 0.0000 0.0000 62.4162 31.6798 174.3289 121 P 4.3668 0.0000 0.0000 62.3742 32.6420 175.2737 122 I 4.3807 7.8640 121.0913 59.9687 40.1000 174.6468 123 C 5.1241 8.5123 122.0400 55.4842 41.9990 172.9987 124 E 4.6078 8.9611 128.4296 54.8409 31.4072 177.2902 125 K 3.5790 8.6585 124.4912 54.1336 32.0693 178.4073 126 V 3.9738 7.9683 123.6376 63.2889 32.2239 171.9843 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 C 8.31 4.58 0.00 2.16 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 E 8.33 4.85 0.00 2.20 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 0.00 2.42 2.45 0.00 3 E 9.87 4.25 0.00 2.06 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 2.42 2.58 0.00 4 P 0.00 3.83 0.00 1.66 0.80 0.00 3.68 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.07 0.00 5 P 0.00 4.44 0.00 2.11 1.84 0.00 3.49 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 6 T 7.92 4.85 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 1.25 0.00 0.00 7 F 8.43 4.70 0.00 2.91 2.98 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 8 E 8.96 4.11 0.00 1.99 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 2.23 1.87 0.00 9 A 8.09 2.95 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 M 7.50 5.36 0.00 1.76 2.04 0.00 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.92 0.00 11 E 9.09 4.97 0.00 2.04 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 2.22 2.26 0.00 12 L 8.54 4.24 0.00 1.50 1.52 0.41 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 13 I 8.11 4.21 1.76 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 1.11 0.80 0.86 0.00 0.00 14 G 9.05 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.18 4.01 0.00 1.79 1.64 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.36 1.04 7.81 16 P 0.00 4.54 0.00 2.09 2.11 0.00 3.65 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 2.05 2.12 0.00 17 K 8.91 4.38 0.00 0.79 1.36 0.00 1.51 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.38 0.00 0.00 0.00 0.00 1.30 1.37 7.81 18 P 0.00 4.63 0.00 2.22 2.14 0.00 3.50 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 19 Y 7.30 5.21 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 20 Y 8.07 4.55 0.00 2.63 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 21 E 8.34 4.21 0.00 1.88 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 2.50 2.51 0.00 22 I 8.35 3.98 1.83 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.47 0.89 0.00 0.00 23 G 8.93 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 24 E 7.55 4.24 0.00 2.24 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 2.51 2.36 0.00 25 R 8.62 5.15 0.00 1.84 1.77 0.00 3.12 0.00 0.00 3.09 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.52 0.00 26 V 8.66 4.36 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 0.14 0.00 0.00 0.34 0.00 0.00 27 D 8.32 5.20 0.00 2.56 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 Y 8.48 5.28 0.00 2.80 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 K 8.74 4.77 0.00 1.78 1.84 0.00 1.32 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.40 7.81 30 C 8.73 4.80 0.00 3.01 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 31 K 9.16 4.39 0.00 1.90 1.87 0.00 1.95 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.66 1.37 7.81 32 K 8.67 3.97 0.00 1.74 1.79 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.47 7.81 33 G 9.19 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Y 8.12 5.52 0.00 2.87 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 F 9.33 5.23 0.00 3.21 3.15 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 36 Y 8.83 4.86 0.00 3.13 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 37 I 7.43 4.46 2.05 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.56 0.88 0.00 0.00 38 P 0.00 4.37 0.00 2.07 2.11 0.00 3.68 0.00 0.00 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.36 0.00 39 P 0.00 4.86 0.00 2.14 2.12 0.00 3.49 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.06 0.00 40 L 7.69 4.02 0.00 1.50 1.58 0.85 0.71 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 41 A 8.13 4.42 1.11 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 0.00 0.00 42 T 8.20 4.81 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 1.36 0.00 0.00 43 H 8.11 5.43 0.00 3.23 3.27 0.00 5.53 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 T 8.75 4.92 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 0.95 0.00 0.00 45 I 8.57 5.23 1.94 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 0.96 1.00 0.00 0.00 46 C 8.60 4.48 0.00 2.27 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 47 D 8.02 4.77 0.00 2.91 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 R 8.47 4.04 0.00 1.85 1.92 0.00 3.26 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 1.56 1.21 0.00 49 N 7.80 4.94 0.00 2.66 2.78 0.00 0.00 6.74 7.89 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 50 H 9.10 4.77 0.00 3.00 3.15 0.00 5.85 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 T 7.78 4.56 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 1.21 0.00 0.00 52 W 8.51 4.68 0.00 3.23 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 53 L 8.65 4.26 0.00 1.68 1.70 0.99 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.67 0.00 1.96 2.01 0.00 3.75 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 2.05 2.11 0.00 55 V 8.15 4.41 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 0.69 0.00 0.00 0.73 0.00 0.00 56 S 8.19 4.99 0.00 4.04 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 57 D 8.19 4.54 0.00 2.63 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 D 7.89 4.05 0.00 2.50 2.60 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 0.00 0.00 0.00 59 A 7.62 3.67 1.06 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 0.00 0.00 0.00 0.00 0.00 60 C 7.25 4.92 0.00 2.53 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 61 Y 7.98 4.90 0.00 2.53 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 62 R 8.60 4.43 0.00 1.11 1.53 0.00 2.55 0.00 0.00 2.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.30 0.00 63 E 9.30 4.36 0.00 2.44 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 0.00 2.39 2.34 0.00 64 T 8.56 5.01 4.40 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 1.37 0.00 0.00 65 C 8.55 4.72 0.00 2.10 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 0.00 0.00 0.00 66 P 0.00 4.67 0.00 2.29 2.14 0.00 3.67 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.15 0.00 67 Y 8.86 4.93 0.00 2.96 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 68 I 7.43 4.12 1.53 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.83 0.75 0.00 0.00 69 R 7.90 3.79 0.00 1.71 1.84 0.00 3.33 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.56 0.00 70 D 8.61 4.43 0.00 2.63 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 71 P 0.00 4.28 0.00 2.12 2.05 0.00 3.70 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 2.24 2.14 0.00 72 L 8.22 3.96 0.00 1.52 1.50 0.85 0.96 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 73 N 9.00 4.04 0.00 2.33 1.42 0.00 0.00 6.77 7.74 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 74 G 7.92 4.21 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 0.00 75 Q 8.73 4.80 0.00 2.12 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.71 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 76 A 8.71 4.55 0.99 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 0.00 0.00 77 V 7.86 4.31 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 0.69 0.00 0.00 0.91 0.00 0.00 78 P 0.00 4.56 0.00 2.06 2.21 0.00 3.72 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.43 0.00 79 A 8.51 4.53 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 80 N 8.31 4.78 0.00 2.72 2.80 0.00 0.00 6.93 7.54 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 *82 T 7.68 4.41 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 83 Y 8.33 3.96 0.00 3.26 3.28 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 0.00 84 E 7.98 4.33 0.00 1.92 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 2.40 2.33 0.00 85 F 8.02 4.20 0.00 3.03 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 86 G 9.36 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 *87 Y 7.47 4.82 0.00 1.98 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 88 Q 8.54 5.42 0.00 2.51 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.82 0.00 0.00 0.00 0.00 0.00 2.43 2.50 0.00 89 M 8.98 4.92 0.00 1.58 1.35 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.42 0.00 90 H 8.90 5.31 0.00 3.14 3.09 0.00 5.57 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 F 8.64 5.29 0.00 2.80 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 92 I 8.76 4.72 1.90 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 1.31 0.79 0.94 0.00 0.00 93 C 8.71 5.16 0.00 2.91 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 94 N 8.48 4.54 0.00 2.74 2.83 0.00 0.00 6.93 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 95 E 8.59 4.13 0.00 1.99 1.74 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 2.23 1.88 0.00 96 G 9.31 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 Y 7.77 5.25 0.00 2.95 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 98 Y 8.83 5.01 0.00 2.98 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 99 L 8.71 4.82 0.00 1.69 1.63 0.88 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.54 4.25 1.87 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 1.07 0.84 0.87 0.00 0.00 101 G 8.88 3.59 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 0.00 0.00 0.00 102 E 8.18 3.54 0.00 1.98 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 2.19 0.00 103 E 8.29 4.48 0.00 2.18 2.16 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 2.32 2.29 0.00 104 I 7.44 5.26 1.85 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.65 0.80 0.00 0.00 105 L 8.73 4.63 0.00 1.52 1.61 0.70 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 106 Y 8.41 4.98 0.00 3.07 2.85 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 0.00 107 C 9.21 4.68 0.00 1.53 2.98 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 0.00 108 E 8.64 5.02 0.00 2.01 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 109 L 8.18 4.41 0.00 0.57 1.09 0.52 -0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 110 K 8.75 4.36 0.00 1.71 1.66 0.00 1.79 0.00 0.00 1.61 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.28 1.46 7.81 111 G 8.31 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 S 8.95 4.46 0.00 3.84 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 V 7.28 4.24 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 1.00 0.00 0.00 0.90 0.00 0.00 114 A 8.29 5.08 1.23 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 0.00 0.00 115 I 8.25 4.54 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 1.17 0.68 0.87 0.00 0.00 116 W 8.49 5.18 0.00 3.35 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 9.24 4.71 0.00 3.96 4.31 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 0.00 118 G 7.26 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 0.00 119 K 8.24 4.14 0.00 1.67 1.62 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.82 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.30 1.39 7.81 120 P 0.00 3.62 0.00 1.86 1.74 0.00 3.60 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.90 0.00 121 P 0.00 4.37 0.00 1.59 1.95 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.71 0.00 122 I 7.86 4.38 1.74 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 1.10 0.92 0.80 0.00 0.00 123 C 8.51 5.12 0.00 2.92 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 0.00 124 E 8.96 4.61 0.00 1.45 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 2.12 2.20 0.00 125 K 8.66 3.58 0.00 1.82 1.68 0.00 1.98 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.36 0.99 7.81 126 V 7.97 3.97 2.16 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 0.72 0.00 0.00 0.94 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.