NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *0 H 4.5338 8.4449 117.3745 54.4476 29.6851 172.5206 *2 T 4.1376 8.1859 115.5898 63.1351 69.0586 172.5318 3 P 4.3536 0.0000 0.0000 63.1473 31.9635 175.6477 4 T 4.7268 8.1862 109.9566 59.6419 71.6197 173.0198 5 L 4.7267 8.2484 123.0160 53.2608 44.9844 175.1475 6 E 4.9104 8.7350 124.9073 54.8126 32.1778 174.9945 7 T 5.2148 8.4338 112.8094 59.9283 72.8601 172.9948 8 K 4.6203 8.7334 122.3711 54.8347 35.8379 174.5343 9 Y 4.4493 8.9808 129.2138 58.4006 39.1332 175.0289 10 V 4.2067 7.8952 119.2638 62.4401 34.7870 175.3959 11 F 4.7346 6.2514 112.2333 56.3919 41.1555 172.6181 12 T 5.1718 9.3859 116.5889 61.9378 71.3467 173.4474 13 I 4.7216 8.7998 127.4055 60.0954 39.5465 174.7352 14 T 4.8624 8.9722 124.8134 61.9564 70.4636 173.3573 15 A 4.9416 8.9928 130.0534 49.9734 21.1981 175.9972 16 R 4.5440 8.7414 123.4913 56.2335 31.1299 176.0656 17 I 4.7248 8.3508 117.6748 59.3438 40.1386 176.3362 18 G 4.1737 8.6499 112.3897 45.7167 0.0000 172.8452 19 D 4.7427 8.5840 120.5375 53.7698 41.9594 176.8330 20 V 3.8563 8.3609 122.5022 63.5295 32.3277 175.0407 21 T 4.6226 8.9992 125.1459 61.8872 70.7792 173.2811 22 S 5.0519 8.6216 120.5057 56.5865 63.8594 173.5911 23 A 4.0975 8.9184 129.5784 53.2739 19.4355 176.3463 24 G 3.6819 8.1608 100.0151 43.9275 0.0000 171.6603 25 E 4.4572 8.6235 120.0790 56.4218 29.8678 177.0939 26 I 4.3352 8.9395 118.9550 60.4583 37.9582 176.5012 27 G 4.0247 8.8117 110.6103 45.7310 0.0000 174.4210 28 T 4.3895 8.1018 106.6211 60.6369 69.6703 172.8152 29 G 3.9151 7.7277 108.2785 43.8178 0.0000 172.0936 30 V 4.7115 8.8120 120.4623 61.0401 33.4733 174.9053 31 R 4.9171 8.7922 129.4967 55.9939 31.2534 175.2677 32 R 5.1789 9.0963 122.0075 54.6761 33.6146 173.9777 33 I 4.9370 9.2717 121.5786 59.6514 41.4184 174.3969 34 I 4.6498 8.3219 127.2284 58.6531 39.8137 173.3869 35 P 4.6728 0.0000 0.0000 62.5953 32.6845 175.5815 36 I 4.5299 8.1782 124.6768 60.2618 37.3197 175.7007 37 L 4.3492 10.0779 127.3504 54.2090 43.5295 177.4272 38 G 4.0344 8.1332 104.8167 45.7351 0.0000 170.7890 39 G 4.6247 6.8668 105.6919 45.5273 0.0000 171.6077 40 E 5.0463 8.1339 117.6382 54.7145 34.5019 174.6585 41 V 4.6573 8.4783 122.2624 60.9585 34.5167 174.3627 42 K 4.8904 8.9935 128.4474 55.6570 36.0249 175.4722 43 G 4.1297 7.9949 113.4696 46.1747 0.0000 171.8580 44 E 4.0485 8.6542 119.4963 57.1087 29.7914 177.4422 45 G 4.1390 9.1334 111.8227 45.9219 0.0000 172.7985 46 I 4.6089 7.2785 119.8820 59.5205 41.9226 173.6044 47 S 4.7104 8.7236 123.9790 57.0281 65.5306 172.6688 48 G 4.5626 9.1455 113.9871 44.7951 0.0000 170.1292 49 Q 5.0538 8.8480 120.6475 53.8256 31.5291 174.6940 50 V 4.2895 8.5142 127.1306 62.8158 32.6681 175.3417 51 L 4.2533 8.6001 128.5506 52.8634 42.4163 176.2258 52 P 4.5368 0.0000 0.0000 61.0038 30.3787 174.9500 53 F 4.6616 7.2405 111.1491 57.3224 40.7288 172.8378 54 G 4.0279 10.0786 106.3557 45.0979 0.0000 171.6538 55 A 4.6110 8.2184 117.0721 51.2102 23.2646 174.9280 56 D 5.0721 8.6457 120.1687 52.8734 43.0324 175.2361 57 F 4.9667 9.1062 125.8582 56.3460 40.0906 175.3743 58 Q 5.3948 9.3047 122.8777 53.1158 32.9055 174.6807 59 I 5.0020 8.1874 121.2357 59.7141 40.7511 174.4386 60 I 4.6253 8.8480 128.9501 60.0458 38.4919 176.3895 61 R 4.4690 8.8390 126.9460 54.8709 30.7832 176.1703 62 P 4.5395 0.0000 0.0000 65.2399 31.3718 177.3001 63 N 4.6476 8.0675 113.5232 52.7673 37.5127 175.6527 64 E 4.0220 8.7293 118.3028 55.8979 28.3784 174.4108 65 L 4.2362 7.8228 121.6037 56.0134 43.2723 175.6812 66 I 4.8483 8.8961 126.6566 59.5973 40.0784 174.3765 67 E 4.7883 9.1341 127.7381 55.6282 30.8711 175.6015 68 L 4.8955 8.7719 125.0375 53.6360 44.7954 175.9675 69 E 5.0069 10.0203 122.1791 55.5853 31.8938 172.2572 70 A 5.3992 9.4417 126.8151 49.7797 22.0239 175.7707 71 K 5.1878 9.1501 120.9936 55.1911 35.9218 175.2745 72 Y 5.3140 8.4391 122.6086 56.8465 41.4140 172.9995 73 A 5.2452 8.5679 118.7817 50.9339 23.0874 175.3929 74 F 5.3843 9.0520 114.0524 54.9801 42.0061 173.2409 75 E 5.1652 9.0168 121.3229 54.6525 32.1042 175.7170 76 T 4.8445 8.7241 117.9094 60.8159 70.2740 175.5894 77 D 4.4376 8.9126 122.2566 55.5168 39.4456 176.9009 78 D 4.7577 7.9706 117.2928 52.9170 39.8120 176.4890 79 G 4.1002 7.9612 107.2961 45.3082 0.0000 173.8730 80 A 4.3168 8.0799 122.4570 51.3594 19.8776 177.0435 81 V 4.4737 8.2232 121.3366 61.0414 33.6180 174.9174 82 V 4.2084 8.5559 128.6290 60.9484 33.9489 173.6172 83 Y 4.7844 8.6700 130.2301 57.1978 40.2314 173.9748 84 V 4.2516 8.7309 127.2661 60.7376 34.2558 173.6429 85 E 4.6447 8.2150 128.9277 54.4671 31.8076 174.1321 86 N 5.0047 9.5010 127.7571 51.9605 41.0747 173.1074 87 V 4.8063 7.8722 126.6189 61.2443 34.3632 174.4935 88 G 4.4715 8.3114 113.7745 46.5589 0.0000 171.8844 89 I 5.3711 8.6088 114.8418 59.3657 41.8341 174.6324 90 R 5.1750 9.1264 124.1236 54.8263 33.3111 174.0203 91 F 5.3580 9.7995 127.5073 56.8203 43.9863 173.0898 92 G 4.2630 7.0931 107.6899 43.2678 0.0000 170.6814 93 P 4.0852 0.0000 0.0000 62.8609 32.6020 177.8374 94 V 3.5959 8.3546 115.4960 64.6311 31.4524 178.4016 95 E 3.9355 8.2014 117.6684 59.7126 29.2610 179.4493 96 L 3.9883 7.7776 118.1657 57.5259 41.8373 179.1422 97 L 3.9490 7.8681 119.0261 58.0011 41.6772 179.8527 98 R 3.9263 8.1758 117.8775 59.0654 29.9869 178.9588 99 K 3.8557 8.2558 118.5738 59.7591 32.0873 179.2137 100 L 3.9884 8.1002 118.9143 57.7606 41.3092 179.5657 101 K 3.9214 7.8969 117.3132 59.4817 32.0808 178.6059 102 R 4.3612 7.7287 114.9566 55.7474 30.1041 177.2691 103 G 3.9114 7.8889 106.7467 45.9098 0.0000 173.7002 104 E 4.2564 8.0796 119.5364 54.4254 30.1745 175.0569 105 P 4.3800 0.0000 0.0000 62.7981 31.9348 175.8242 106 V 4.4098 7.9970 121.1432 60.4064 34.6921 174.4055 107 D 4.4708 8.5740 126.0651 53.4953 41.8205 175.3780 108 P 4.3768 0.0000 0.0000 65.5584 31.5475 178.4985 109 K 3.9848 8.2406 117.9420 58.8455 31.9487 177.8519 110 V 4.1611 7.5190 109.3677 61.1655 32.1207 175.3962 111 I 4.5047 7.3275 121.6713 59.4355 39.1047 174.7257 112 Y 4.2640 8.6522 128.6821 57.3952 39.9140 174.2606 113 F 5.4824 8.3423 129.4957 56.9526 41.4320 172.4502 114 R 5.1909 9.0449 123.1135 54.3032 34.5854 174.2867 115 T 5.1497 8.9428 111.7117 60.4040 73.4579 172.5902 116 R 5.0332 9.5067 123.3885 53.8388 31.9375 172.4332 117 P 4.6233 0.0000 0.0000 62.1632 32.5813 175.4770 118 R 4.3130 8.3579 124.5989 54.2271 32.5974 174.1641 119 F 5.3528 8.4956 124.1616 55.7547 42.0370 174.7462 120 E 4.7955 8.8261 120.8689 54.9636 32.9316 174.7474 121 T 4.8288 8.5183 117.6419 61.0528 69.9941 173.5491 122 G 3.8172 8.7540 115.2357 47.0572 0.0000 174.0066 123 H 4.1118 7.8943 120.8577 55.8053 30.1764 174.1777 124 P 4.3314 0.0000 0.0000 65.5216 31.3155 176.8749 125 N 4.5163 8.4277 114.5013 54.8788 39.4036 174.7471 126 Y 4.6657 7.8568 114.0585 57.7985 38.7825 176.9582 127 Q 4.0709 8.4964 123.5230 58.9427 29.1086 177.9247 128 W 4.6821 8.5800 113.6136 59.4027 28.0419 177.9989 129 L 3.9543 7.1223 118.4479 54.9378 39.8608 177.8948 *131 Q 4.2762 8.0802 116.2447 55.5357 30.4757 174.5980 132 Y 4.7258 7.7573 114.1964 55.7966 42.0892 174.3535 133 L 4.5728 8.1234 123.1782 54.7376 43.8351 175.3383 134 F 5.4194 8.7688 121.4255 55.7209 43.1535 174.2908 135 V 4.6087 9.1109 121.1089 61.1384 34.7370 174.3210 136 G 4.4060 9.2526 114.8535 44.5236 0.0000 171.9919 137 S 5.0548 9.0529 119.3950 56.3215 64.5280 172.8177 138 A 5.5539 8.8433 127.9132 48.9905 22.3853 174.7834 139 A 4.6948 7.8772 118.9686 50.5075 22.6965 175.1160 140 R 4.7825 8.8808 123.1176 55.4233 30.1288 175.2251 141 H 4.9716 8.8836 123.2080 53.4913 31.8018 175.1158 142 A 4.2325 8.6471 122.7672 54.5734 18.4144 178.0355 143 D 4.8580 7.5059 111.0614 53.2675 40.9407 175.4991 144 R 4.9480 7.3165 115.2132 55.5961 33.0250 173.5759 145 V 4.8471 8.8857 119.5304 61.0830 35.0374 174.1925 146 V 4.7214 8.6535 127.5832 61.4002 33.7336 174.1022 147 I 4.6917 9.0144 130.1711 59.6318 39.4880 174.6966 148 D 4.9858 9.1655 128.6750 53.4064 42.1564 175.6893 149 V 4.4917 8.8190 124.9747 61.7120 33.3718 174.2061 150 H 5.2838 9.1901 125.0316 53.8939 32.1308 172.8012 151 Q 4.1360 9.2313 125.3317 55.6185 30.2079 174.7644 152 V 4.1985 8.3722 127.8817 62.3896 32.3117 175.7880 153 L 4.4456 8.6566 127.5980 54.9190 41.2902 176.5779 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 *0 H 8.44 4.53 0.00 2.95 2.92 0.00 7.20 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *2 T 8.19 4.14 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 1.22 0.00 0.00 3 P 0.00 4.35 0.00 2.04 2.01 0.00 3.62 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 4 T 8.19 4.73 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 1.25 0.00 0.00 5 L 8.25 4.73 0.00 1.56 1.54 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.73 4.91 0.00 1.91 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 2.22 0.00 7 T 8.43 5.21 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 1.22 0.00 0.00 8 K 8.73 4.62 0.00 1.82 1.60 0.00 1.59 0.00 0.00 1.48 0.00 0.00 2.72 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.40 7.81 9 Y 8.98 4.45 0.00 3.02 2.90 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 10 V 7.90 4.21 2.35 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 0.95 0.00 0.00 0.67 0.00 0.00 11 F 6.25 4.73 0.00 2.92 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 12 T 9.39 5.17 4.36 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 1.33 0.00 0.00 13 I 8.80 4.72 1.98 0.00 0.00 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 1.18 1.06 1.05 0.00 0.00 14 T 8.97 4.86 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 1.19 0.00 0.00 15 A 8.99 4.94 0.95 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 16 R 8.74 4.54 0.00 1.73 1.83 0.00 3.05 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.53 0.00 17 I 8.35 4.72 1.82 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 1.20 0.63 0.91 0.00 0.00 18 G 8.65 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 0.00 0.00 0.00 19 D 8.58 4.74 0.00 2.57 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 20 V 8.36 3.86 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 0.76 0.00 0.00 0.91 0.00 0.00 21 T 9.00 4.62 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 1.23 0.00 0.00 22 S 8.62 5.05 0.00 3.84 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 23 A 8.92 4.10 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.16 3.68 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 0.00 0.00 0.00 25 E 8.62 4.46 0.00 1.93 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 2.29 2.36 0.00 26 I 8.94 4.34 1.88 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 1.50 0.93 1.00 0.00 0.00 27 G 8.81 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 28 T 8.10 4.39 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 29 G 7.73 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 30 V 8.81 4.71 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 0.89 0.00 0.00 0.98 0.00 0.00 31 R 8.79 4.92 0.00 2.03 1.81 0.00 3.28 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 1.67 1.68 0.00 32 R 9.10 5.18 0.00 1.86 1.95 0.00 2.76 0.00 0.00 3.34 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 33 I 9.27 4.94 1.85 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 1.41 0.86 0.52 0.00 0.00 34 I 8.32 4.65 1.78 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.62 0.86 0.00 0.00 35 P 0.00 4.67 0.00 2.04 1.95 0.00 3.53 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.07 0.00 36 I 8.18 4.53 1.78 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.37 0.62 0.00 0.00 37 L 10.08 4.35 0.00 1.51 1.67 0.96 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 38 G 8.13 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 39 G 6.87 4.62 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 0.00 0.00 0.00 40 E 8.13 5.05 0.00 1.79 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 0.00 2.25 2.21 0.00 41 V 8.48 4.66 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 0.05 0.00 0.00 0.02 0.00 0.00 42 K 8.99 4.89 0.00 1.76 1.58 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.38 7.81 43 G 7.99 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 44 E 8.65 4.05 0.00 2.06 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 2.43 2.35 0.00 45 G 9.13 4.14 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 0.00 0.00 0.00 46 I 7.28 4.61 2.02 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 1.10 0.80 0.00 0.00 47 S 8.72 4.71 0.00 3.86 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 48 G 9.15 4.56 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 0.00 0.00 0.00 49 Q 8.85 5.05 0.00 2.13 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.96 0.00 0.00 0.00 0.00 0.00 2.22 2.29 0.00 50 V 8.51 4.29 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 0.90 0.00 0.00 0.97 0.00 0.00 51 L 8.60 4.25 0.00 0.87 1.26 1.04 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.54 0.00 2.25 2.14 0.00 3.43 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.97 0.00 53 F 7.24 4.66 0.00 3.15 3.13 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 54 G 10.08 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 55 A 8.22 4.61 0.59 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 56 D 8.65 5.07 0.00 2.65 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 0.00 0.00 0.00 0.00 57 F 9.11 4.97 0.00 3.02 3.05 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 0.00 0.00 0.00 58 Q 9.30 5.39 0.00 1.93 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.75 0.00 0.00 0.00 0.00 0.00 2.28 2.14 0.00 59 I 8.19 5.00 1.89 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 1.38 0.86 0.92 0.00 0.00 60 I 8.85 4.63 1.88 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 0.91 0.92 0.00 0.00 61 R 8.84 4.47 0.00 1.96 1.81 0.00 3.00 0.00 0.00 3.08 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.56 0.00 62 P 0.00 4.54 0.00 2.04 2.12 0.00 3.65 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 2.02 2.07 0.00 63 N 8.07 4.65 0.00 2.95 2.94 0.00 0.00 6.20 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 64 E 8.73 4.02 0.00 2.23 2.33 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 2.25 2.41 0.00 65 L 7.82 4.24 0.00 1.42 1.46 0.84 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 66 I 8.90 4.85 1.80 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 1.22 0.83 0.88 0.00 0.00 67 E 9.13 4.79 0.00 1.93 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 2.29 2.27 0.00 68 L 8.77 4.90 0.00 1.70 1.87 1.29 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 69 E 10.02 5.01 0.00 2.05 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 2.35 2.35 0.00 70 A 9.44 5.40 1.47 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 0.00 0.00 0.00 0.00 0.00 0.00 71 K 9.15 5.19 0.00 2.07 2.05 0.00 1.82 0.00 0.00 1.90 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.57 7.81 72 Y 8.44 5.31 0.00 3.02 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 73 A 8.57 5.25 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 74 F 9.05 5.38 0.00 3.11 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 75 E 9.02 5.17 0.00 2.04 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 2.18 2.38 0.00 76 T 8.72 4.84 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 0.69 0.00 0.00 77 D 8.91 4.44 0.00 2.81 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 78 D 7.97 4.76 0.00 2.86 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 79 G 7.96 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 80 A 8.08 4.32 0.91 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 0.00 0.00 81 V 8.22 4.47 2.04 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 0.79 0.00 0.00 0.92 0.00 0.00 82 V 8.56 4.21 0.67 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 0.44 0.00 0.00 0.18 0.00 0.00 83 Y 8.67 4.78 0.00 3.02 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 84 V 8.73 4.25 0.68 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 0.47 0.00 0.00 0.97 0.00 0.00 85 E 8.22 4.64 0.00 1.55 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.15 0.00 86 N 9.50 5.00 0.00 2.84 2.82 0.00 0.00 6.23 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 87 V 7.87 4.81 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 0.98 0.00 0.00 0.94 0.00 0.00 88 G 8.31 4.47 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 I 8.61 5.37 1.96 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.03 0.96 0.00 0.00 90 R 9.13 5.17 0.00 1.01 1.47 0.00 2.70 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.47 0.00 91 F 9.80 5.36 0.00 3.01 2.92 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 92 G 7.09 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 0.00 0.00 0.00 0.00 93 P 0.00 4.09 0.00 2.09 1.93 0.00 3.52 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 2.05 2.10 0.00 94 V 8.35 3.60 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 0.83 0.00 0.00 0.91 0.00 0.00 95 E 8.20 3.94 0.00 1.98 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 2.39 2.40 0.00 96 L 7.78 3.99 0.00 1.77 1.68 0.89 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 97 L 7.87 3.95 0.00 1.83 1.72 1.07 0.99 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 98 R 8.18 3.93 0.00 2.07 1.97 0.00 3.25 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 99 K 8.26 3.86 0.00 2.02 1.87 0.00 1.66 0.00 0.00 1.64 0.00 0.00 3.09 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.66 1.50 7.81 100 L 8.10 3.99 0.00 1.87 1.68 0.88 0.89 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 0.00 101 K 7.90 3.92 0.00 1.87 1.88 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.48 7.81 102 R 7.73 4.36 0.00 1.94 1.95 0.00 3.24 0.00 0.00 3.22 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 103 G 7.89 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 0.00 0.00 0.00 104 E 8.08 4.26 0.00 2.13 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 2.34 2.24 0.00 105 P 0.00 4.38 0.00 2.19 2.09 0.00 3.71 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 106 V 8.00 4.41 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 0.83 0.00 0.00 0.97 0.00 0.00 107 D 8.57 4.47 0.00 2.80 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 0.00 108 P 0.00 4.38 0.00 2.27 2.31 0.00 3.78 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 2.08 2.01 0.00 109 K 8.24 3.98 0.00 1.94 1.94 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.48 1.43 7.81 110 V 7.52 4.16 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 0.69 0.00 0.00 0.97 0.00 0.00 111 I 7.33 4.50 1.94 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 0.86 1.00 0.00 0.00 112 Y 8.65 4.26 0.00 3.21 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 0.00 113 F 8.34 5.48 0.00 3.02 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 0.00 114 R 9.04 5.19 0.00 1.64 1.63 0.00 3.12 0.00 0.00 2.97 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.81 0.00 115 T 8.94 5.15 4.45 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 0.00 0.00 0.00 1.28 0.00 0.00 116 R 9.51 5.03 0.00 1.82 1.83 0.00 3.10 0.00 0.00 3.21 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 117 P 0.00 4.62 0.00 1.50 1.99 0.00 3.93 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 1.99 1.96 0.00 118 R 8.36 4.31 0.00 1.70 1.54 0.00 3.03 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.53 0.00 119 F 8.50 5.35 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 0.00 120 E 8.83 4.80 0.00 2.12 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 2.29 2.29 0.00 121 T 8.52 4.83 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 1.21 0.00 0.00 122 G 8.75 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 0.00 123 H 7.89 4.11 0.00 3.22 3.42 0.00 5.61 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 P 0.00 4.33 0.00 2.09 2.13 0.00 3.42 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.08 0.00 125 N 8.43 4.52 0.00 2.67 2.47 0.00 0.00 6.78 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 0.00 126 Y 7.86 4.67 0.00 3.10 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 0.00 127 Q 8.50 4.07 0.00 2.31 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.06 0.00 0.00 0.00 0.00 0.00 2.42 2.51 0.00 128 W 8.58 4.68 0.00 3.94 3.36 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 0.00 129 L 7.12 3.95 0.00 1.52 1.45 0.31 -0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 *131 Q 8.08 4.28 0.00 2.16 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.75 6.81 0.00 0.00 0.00 0.00 0.00 2.29 2.70 0.00 132 Y 7.76 4.73 0.00 2.44 2.37 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 0.00 133 L 8.12 4.57 0.00 1.77 1.49 0.95 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 134 F 8.77 5.42 0.00 3.10 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 V 9.11 4.61 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 1.12 0.00 0.00 0.97 0.00 0.00 136 G 9.25 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 0.00 0.00 0.00 0.00 137 S 9.05 5.05 0.00 3.83 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 0.00 138 A 8.84 5.55 -0.11 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 0.00 139 A 7.88 4.69 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 0.00 140 R 8.88 4.78 0.00 1.89 1.85 0.00 3.41 0.00 0.00 3.25 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.53 0.00 141 H 8.88 4.97 0.00 3.39 3.20 0.00 5.87 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 0.00 142 A 8.65 4.23 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 0.00 143 D 7.51 4.86 0.00 2.77 2.88 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 0.00 144 R 7.32 4.95 0.00 1.97 2.02 0.00 2.89 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 145 V 8.89 4.85 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 1.06 0.00 0.00 1.04 0.00 0.00 146 V 8.65 4.72 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 0.93 0.00 0.00 0.98 0.00 0.00 147 I 9.01 4.69 1.88 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 1.47 0.97 0.83 0.00 0.00 148 D 9.17 4.99 0.00 2.71 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 0.00 149 V 8.82 4.49 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 0.70 0.00 0.00 0.95 0.00 0.00 150 H 9.19 5.28 0.00 3.19 3.20 0.00 5.66 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 9.23 4.14 0.00 2.18 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.97 0.00 0.00 0.00 0.00 0.00 1.91 1.74 0.00 152 V 8.37 4.20 2.15 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 0.81 0.00 0.00 0.94 0.00 0.00 153 L 8.66 4.45 0.00 1.67 1.58 0.91 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.