NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7805 8.2085 109.7420 45.5306 0.0000 175.5061 *2 A 4.3501 8.8320 123.4443 51.9990 21.2105 180.1913 3 S 4.3459 8.2009 108.5681 60.2913 63.6535 174.8204 4 S 4.6480 7.9271 114.4089 58.1456 63.9991 175.7473 5 F 4.2970 8.2296 123.9368 61.8540 39.0830 176.8833 6 L 3.5908 7.8840 118.0087 57.4641 41.3701 178.8750 7 E 3.8345 8.0656 118.8476 59.2926 29.5409 178.4275 8 E 3.8507 8.0106 119.0619 59.1207 29.6200 178.9120 9 V 3.3081 7.5488 118.3068 65.9318 31.5444 177.5052 10 D 4.1815 8.2037 118.0829 57.1700 41.1684 178.0424 11 R 3.8004 8.1778 119.5821 59.5496 30.0423 178.5595 12 L 3.9188 7.9381 118.7606 57.8005 41.3510 179.5802 13 I 3.1365 7.4707 119.1613 64.1451 36.9018 178.2803 14 T 3.9490 7.5923 115.9226 66.8082 68.4289 176.4044 15 L 4.0550 7.4612 118.7658 56.6600 41.9990 178.0968 16 S 4.3228 7.2495 112.6472 58.2506 62.8627 173.7235 17 G 4.1483 8.6060 114.6395 45.2629 0.0000 173.2318 18 I 4.3794 7.5516 112.6777 58.8935 39.5646 175.1640 19 T 4.2223 8.1691 118.5689 63.2233 68.9778 174.1537 20 F 4.7150 8.8687 125.3239 56.3623 40.7506 174.9488 21 H 4.9616 9.5531 121.9058 54.4348 30.0456 173.8069 22 A 5.8629 8.7907 125.1859 49.0079 20.0214 176.0121 23 S 4.0547 8.7286 117.2815 59.7156 64.0447 176.6071 24 G 3.7974 8.5438 106.6891 45.8312 0.0000 173.6910 25 T 4.4036 7.2376 105.6911 60.8237 69.3015 174.5685 26 G 4.0608 7.9935 111.2727 45.3673 0.0000 173.7942 27 T 4.6825 7.9083 112.1978 58.2588 73.4368 173.0621 28 P 4.2022 0.0000 0.0000 66.1218 31.2854 178.8598 29 E 4.0107 8.0601 116.6864 59.4316 29.4317 179.2178 30 L 4.1785 8.0384 119.0544 57.5571 41.6310 179.6049 31 I 3.7479 8.0536 120.3076 64.2394 37.0338 178.2126 32 K 3.8671 8.1217 120.4188 59.6911 31.9634 178.8906 33 I 3.7779 7.8310 120.0336 64.5145 36.9856 178.0989 34 Y 4.0380 8.6754 117.9909 61.1092 37.7439 178.4338 35 Q 3.4581 7.8706 118.8963 58.9388 28.5487 178.6676 36 D 4.2956 7.9363 118.1841 57.3541 40.9369 178.5047 37 A 4.1103 7.8923 120.0171 55.1624 18.5155 179.3264 38 L 4.2383 8.0389 115.7296 55.1000 41.9539 177.5186 39 G 3.9020 8.0517 106.5113 46.5827 0.0000 173.1583 40 N 5.0804 7.9054 114.8169 50.7294 42.3308 174.3314 41 E 4.2348 8.7000 121.7813 56.1651 30.2874 176.5902 42 F 5.0424 9.6382 124.1549 56.0608 40.1372 174.7671 43 P 4.5429 0.0000 0.0000 62.4987 33.1319 176.9458 44 E 3.9887 8.9012 120.2856 60.1104 29.5294 179.5315 45 T 3.8198 8.5724 109.5526 64.7735 68.5377 175.9353 46 Y 3.7160 7.9585 122.0509 60.4255 38.9142 177.7519 47 K 3.9978 8.4715 119.6168 59.2302 32.1188 179.3833 48 L 4.0845 8.3770 119.6869 57.8222 41.5315 179.2545 49 F 4.5267 8.6849 120.6176 61.3835 39.5147 177.1779 50 L 3.6436 7.9909 118.7159 57.6002 41.1718 179.1494 51 E 3.8024 7.8409 117.9756 59.0543 29.6812 178.4466 52 K 3.7742 7.7112 118.2727 58.8880 32.4962 177.4266 53 Y 4.4221 7.9209 116.2130 57.6731 39.4079 176.5517 54 G 4.2804 8.4524 112.2612 45.9424 0.0000 172.7964 55 T 5.2973 7.1051 107.0634 59.3145 73.5292 171.8809 56 L 5.3388 9.3002 123.3873 54.3027 45.8519 174.6775 57 T 5.4409 9.5779 123.3885 61.7972 72.3692 173.1690 58 F 4.8162 8.8329 120.6201 56.1885 41.5288 174.3084 59 N 4.2306 9.5463 119.7961 54.2333 35.7466 175.3367 60 G 3.7925 8.2980 103.8836 45.8223 0.0000 174.5321 61 V 3.5317 7.3810 121.3377 62.1023 31.7401 174.3610 62 S 5.1291 8.2851 121.9063 56.5648 64.8631 172.7200 63 F 4.7537 9.5680 126.8421 56.2525 40.3651 175.2786 64 Y 5.1478 9.0001 122.6256 58.0552 38.7285 176.2512 65 G 4.6568 8.7626 108.9148 48.5476 0.0000 174.7574 66 I 4.2628 8.6002 128.4350 60.0429 36.6977 175.7862 67 S 4.5416 8.7607 120.9043 57.1633 64.0309 175.7624 68 K 4.0296 8.5337 119.2412 59.1582 31.9086 178.9238 69 R 4.1656 8.1292 116.0106 56.3716 31.7208 177.6926 70 G 4.1735 7.7144 107.3403 46.0891 0.0000 177.6704 71 L 4.2494 8.9250 124.5870 56.9273 41.3999 177.5401 72 S 4.5140 7.9470 113.1998 57.9580 63.1044 174.2624 73 A 3.9302 8.2219 124.6567 52.8683 18.3736 177.5339 74 A 4.3099 8.0436 123.3965 51.2072 20.0153 175.3950 75 S 3.5657 6.5673 111.1814 57.2364 65.4308 174.2225 76 I 3.7920 8.0453 114.6743 60.6970 37.6639 173.5724 77 P 4.0755 0.0000 0.0000 62.7911 31.8268 174.6186 78 D 5.0466 7.7731 119.1664 54.8606 42.3899 177.0963 79 V 3.9183 9.2153 128.0273 64.6521 31.6842 178.7365 80 K 3.9618 8.5298 119.8867 59.2471 32.1799 178.0698 81 F 3.9644 8.6540 120.7260 61.4566 39.2079 176.8789 82 A 4.0071 8.3397 120.0339 55.5933 18.2182 179.8203 83 T 3.8607 8.2176 114.2808 66.8238 68.5492 176.9591 84 E 3.9245 8.1981 120.5172 59.2690 29.4504 179.1980 85 Q 3.8669 7.8734 119.2766 59.2248 29.1665 178.1308 86 A 4.1077 8.1694 121.8603 55.2588 18.4349 179.8059 87 R 4.1466 8.0764 117.8314 59.3151 29.9541 179.3025 88 T 3.7254 7.7794 114.2124 66.2094 68.4879 175.6517 89 F 4.5472 7.9904 116.5445 56.8910 39.4089 176.8662 90 G 4.0568 7.9010 107.1286 45.6497 0.0000 174.5612 91 D 4.6073 8.1236 119.8116 56.1158 40.7706 175.9081 92 I 4.0068 7.3887 111.3486 59.1106 40.7493 172.9473 93 N 5.2357 8.0899 117.7668 50.7567 39.6420 174.4736 94 K 4.1608 8.5866 116.0943 58.7761 32.6693 177.2429 95 E 4.4375 8.4502 120.7620 56.0565 28.8149 174.8138 *97 I 4.3077 7.4013 121.4668 61.3020 40.2679 178.1355 *99 I 4.2197 8.3665 116.9796 61.3123 40.0499 175.5014 100 K 3.7522 7.3265 122.1043 55.6066 36.1499 173.8336 101 N 5.2299 8.3789 124.5458 51.6901 40.5771 174.8818 102 S 4.3573 8.4017 126.9917 56.5082 62.0699 174.2414 103 G 3.9869 7.7774 109.7308 45.3782 0.0000 170.3601 104 Y 4.1422 8.2469 119.9738 58.8558 38.7518 175.6960 105 G 3.4645 9.3041 114.4074 45.4609 0.0000 172.7442 106 S 4.2921 7.6902 114.5941 56.7966 66.1872 172.4908 107 I 4.4322 8.2505 125.9480 59.1404 39.8708 174.7005 108 F 5.0348 9.1107 126.0188 55.8126 41.3052 175.0160 109 S 4.9106 8.8604 119.1093 56.4004 67.3061 173.4719 110 I 4.1494 8.2874 124.4804 61.4870 37.6423 175.2584 111 D 4.8373 8.8201 128.3590 52.5644 41.7410 176.9577 112 T 4.1056 8.9428 117.6239 63.3746 68.9369 175.4357 113 S 4.4854 8.4947 116.2432 58.4174 63.9460 173.9244 114 I 4.4247 7.8389 123.0397 59.7094 38.9371 174.2807 115 I 4.7572 8.3337 126.4694 59.6489 39.1913 176.5233 116 G 4.1221 8.5242 115.7155 45.1388 0.0000 173.8276 117 S 4.5218 9.3605 115.9033 58.8436 63.4374 174.4770 118 E 4.5083 7.9832 120.7212 56.2826 29.7298 177.2635 119 G 4.0970 8.4412 105.1927 45.7902 0.0000 173.6904 120 E 4.8066 7.3585 118.3650 53.1082 33.0436 173.5781 121 P 4.8235 0.0000 0.0000 63.4729 32.7121 176.6906 122 V 4.3071 8.7774 116.9358 61.1431 33.6047 174.8372 123 I 4.7257 8.1531 122.6855 60.1827 38.7282 175.7252 124 V 4.7849 8.7286 119.9270 59.4492 35.3012 174.0222 125 E 4.6661 8.9973 124.9771 54.5862 31.7926 174.8757 126 T 5.0232 8.4900 116.2081 60.0968 73.1477 172.6498 127 N 5.5758 8.0245 117.5653 50.0411 40.2404 174.3328 128 L 3.8667 8.5380 116.7278 58.2059 41.7920 178.1579 129 S 4.5635 8.5555 111.5285 58.1724 63.5768 175.3593 130 F 3.9454 8.3427 125.6453 61.8257 38.7040 177.2778 131 K 4.0450 8.1562 116.4529 59.8547 32.3199 178.4425 132 D 4.4667 7.9071 119.0436 56.2687 41.2896 176.7770 133 N 4.7087 7.9135 112.6115 51.7243 38.5140 174.4858 134 T 2.4800 7.5068 114.5583 63.9671 66.7605 171.4267 135 E 4.2940 8.1155 121.3558 55.6970 30.3677 175.8074 136 K 4.8087 8.4165 123.5837 54.4040 36.1293 175.1439 137 K 4.5408 8.6271 124.1987 54.4556 34.7959 175.1687 138 V 4.2708 8.4504 127.8074 63.0642 31.6546 175.7328 139 V 4.5710 8.6802 119.5179 61.1270 33.8576 175.3476 140 A 4.6523 7.4537 120.5825 50.8304 21.9446 176.8753 141 N 4.4058 8.9727 118.1460 55.6438 39.7364 175.4222 142 S 5.1378 7.3667 112.1994 57.1192 66.3986 176.0408 143 F 4.0596 8.5827 124.3802 61.4414 39.0604 177.2166 144 G 3.0476 7.9528 104.6175 47.8997 0.0000 175.2663 145 E 3.9901 8.0762 121.3514 58.7104 29.4651 179.2050 146 F 4.2756 8.1473 120.8038 61.2052 39.3890 177.0054 147 L 3.1343 7.5753 119.8833 57.8569 41.8238 178.6713 148 L 3.8680 7.9212 118.9896 58.0109 41.5821 179.3442 149 E 3.9569 8.2209 118.3180 59.5203 29.5133 179.1490 150 E 3.9647 7.9445 119.0948 59.0289 29.4701 178.8660 151 I 3.5785 7.6837 119.3185 64.3186 37.4839 177.6988 152 E 4.0818 8.5113 119.8219 59.5650 29.2779 179.4681 153 L 4.0243 7.9867 119.0304 57.8768 41.4807 179.6907 154 S 4.3010 7.8803 112.7160 61.5316 62.8581 176.2475 155 L 4.1905 7.6870 120.7706 56.4775 41.4242 177.6492 156 T 4.3872 7.7293 107.5688 62.0530 70.5317 174.3001 157 D 4.9237 8.1327 120.7216 51.9689 42.9748 176.0951 158 L 4.1484 8.3427 122.4814 55.4482 42.1290 176.6064 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 G 8.21 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *2 A 8.83 4.35 1.37 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 0.00 0.00 3 S 8.20 4.35 0.00 4.03 4.05 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 4 S 7.93 4.65 0.00 4.06 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 F 8.23 4.30 0.00 3.20 3.40 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 6 L 7.88 3.59 0.00 1.69 1.60 0.90 0.78 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 7 E 8.07 3.83 0.00 2.00 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 2.34 2.34 0.00 8 E 8.01 3.85 0.00 2.23 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 2.31 2.31 0.00 9 V 7.55 3.31 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.43 0.00 0.00 10 D 8.20 4.18 0.00 2.82 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 11 R 8.18 3.80 0.00 1.91 2.02 0.00 3.11 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 12 L 7.94 3.92 0.00 1.62 1.54 0.82 0.59 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 13 I 7.47 3.14 1.46 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.31 0.41 0.00 0.00 14 T 7.59 3.95 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 15 L 7.46 4.06 0.00 1.74 1.70 0.88 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 16 S 7.25 4.32 0.00 3.97 4.05 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 17 G 8.61 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 I 7.55 4.38 1.79 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.24 0.90 0.00 0.00 19 T 8.17 4.22 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 20 F 8.87 4.72 0.00 2.82 2.96 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 21 H 9.55 4.96 0.00 3.21 3.30 0.00 5.55 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 22 A 8.79 5.86 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 23 S 8.73 4.05 0.00 3.92 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 0.00 24 G 8.54 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 T 7.24 4.40 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 1.29 0.00 0.00 26 G 7.99 4.06 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 0.00 27 T 7.91 4.68 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 28 P 0.00 4.20 0.00 2.17 2.16 0.00 3.57 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 2.10 2.18 0.00 29 E 8.06 4.01 0.00 2.06 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 2.40 2.46 0.00 30 L 8.04 4.18 0.00 1.66 1.62 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 31 I 8.05 3.75 2.02 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.67 1.00 0.00 0.00 32 K 8.12 3.87 0.00 1.93 1.97 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.47 7.81 33 I 7.83 3.78 2.16 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 1.56 0.59 0.98 0.00 0.00 34 Y 8.68 4.04 0.00 3.24 3.40 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 35 Q 7.87 3.46 0.00 1.98 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.79 0.00 0.00 0.00 0.00 0.00 1.16 1.22 0.00 36 D 7.94 4.30 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 37 A 7.89 4.11 1.28 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 0.00 0.00 38 L 8.04 4.24 0.00 1.86 2.05 1.28 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 39 G 8.05 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 0.00 0.00 0.00 40 N 7.91 5.08 0.00 2.85 2.82 0.00 0.00 7.18 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 41 E 8.70 4.23 0.00 2.26 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 2.31 1.90 0.00 42 F 9.64 5.04 0.00 3.12 3.06 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 43 P 0.00 4.54 0.00 2.48 2.25 0.00 3.89 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.07 0.00 44 E 8.90 3.99 0.00 2.15 2.22 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 2.44 2.52 0.00 45 T 8.57 3.82 3.33 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 0.92 0.00 0.00 46 Y 7.96 3.72 0.00 2.66 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 47 K 8.47 4.00 0.00 2.05 1.91 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.24 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.71 1.87 7.81 48 L 8.38 4.08 0.00 2.25 2.03 1.16 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 49 F 8.68 4.53 0.00 3.81 3.45 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 0.00 50 L 7.99 3.64 0.00 1.72 1.50 0.63 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 51 E 7.84 3.80 0.00 2.12 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 2.25 2.26 0.00 52 K 7.71 3.77 0.00 1.48 1.30 0.00 1.33 0.00 0.00 1.40 0.00 0.00 2.83 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.53 0.21 7.81 53 Y 7.92 4.42 0.00 2.50 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 54 G 8.45 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 0.00 0.00 0.00 0.00 55 T 7.11 5.30 4.60 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 1.45 0.00 0.00 56 L 9.30 5.34 0.00 2.23 2.04 0.82 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 57 T 9.58 5.44 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 1.28 0.00 0.00 58 F 8.83 4.82 0.00 2.26 2.22 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 59 N 9.55 4.23 0.00 2.83 2.90 0.00 0.00 7.06 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 60 G 8.30 3.79 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 0.00 0.00 0.00 61 V 7.38 3.53 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 0.58 0.00 0.00 0.69 0.00 0.00 62 S 8.29 5.13 0.00 3.94 3.83 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 63 F 9.57 4.75 0.00 3.51 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 64 Y 9.00 5.15 0.00 2.97 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 65 G 8.76 4.66 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 0.00 0.00 0.00 66 I 8.60 4.26 1.64 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 -0.12 0.11 0.71 0.00 0.00 67 S 8.76 4.54 0.00 4.08 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 K 8.53 4.03 0.00 1.78 1.94 0.00 1.81 0.00 0.00 2.38 0.00 0.00 3.00 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.47 1.46 7.81 69 R 8.13 4.17 0.00 1.89 1.98 0.00 3.26 0.00 0.00 3.32 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.62 0.00 70 G 7.71 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 71 L 8.93 4.25 0.00 1.69 1.76 0.94 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 72 S 7.95 4.51 0.00 4.04 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 73 A 8.22 3.93 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 74 A 8.04 4.31 1.10 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 75 S 6.57 3.57 0.00 3.77 3.64 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 0.00 0.00 0.00 0.00 76 I 8.05 3.79 1.10 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 1.47 0.41 0.83 0.00 0.00 77 P 0.00 4.08 0.00 2.46 2.46 0.00 3.67 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.02 0.00 78 D 7.77 5.05 0.00 2.82 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 79 V 9.22 3.92 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 1.11 0.00 0.00 80 K 8.53 3.96 0.00 1.43 1.82 0.00 1.24 0.00 0.00 1.38 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.54 1.38 7.81 81 F 8.65 3.96 0.00 3.23 3.25 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 82 A 8.34 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 83 T 8.22 3.86 4.37 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 1.26 0.00 0.00 84 E 8.20 3.92 0.00 2.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.43 0.00 85 Q 7.87 3.87 0.00 1.69 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.32 2.54 0.00 86 A 8.17 4.11 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 87 R 8.08 4.15 0.00 2.00 1.98 0.00 3.16 0.00 0.00 3.27 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.66 0.00 88 T 7.78 3.73 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.85 0.76 0.00 0.00 *99 I 8.37 4.22 2.06 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 1.29 0.74 0.59 0.00 0.00 100 K 7.33 3.75 0.00 1.13 1.48 0.00 0.61 0.00 0.00 0.86 0.00 0.00 2.42 0.00 0.00 2.47 0.00 0.00 0.00 0.00 1.00 0.87 7.81 101 N 8.38 5.23 0.00 2.79 2.83 0.00 0.00 7.02 7.63 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 0.00 102 S 8.40 4.36 0.00 4.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 G 7.78 3.99 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 0.00 104 Y 8.25 4.14 0.00 2.86 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 0.00 105 G 9.30 3.46 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 S 7.69 4.29 0.00 3.79 3.69 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 0.00 107 I 8.25 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0.00 1.41 1.10 7.81 132 D 7.91 4.47 0.00 2.77 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 0.00 133 N 7.91 4.71 0.00 2.68 2.81 0.00 0.00 7.16 8.57 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 0.00 134 T 7.51 2.48 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 0.93 0.00 0.00 135 E 8.12 4.29 0.00 1.96 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 2.31 2.27 0.00 136 K 8.42 4.81 0.00 1.65 1.65 0.00 1.81 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.60 7.81 137 K 8.63 4.54 0.00 1.77 1.68 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.33 7.81 138 V 8.45 4.27 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 0.86 0.00 0.00 0.91 0.00 0.00 139 V 8.68 4.57 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 0.88 0.00 0.00 0.92 0.00 0.00 140 A 7.45 4.65 1.22 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 0.00 0.00 141 N 8.97 4.41 0.00 2.68 3.01 0.00 0.00 6.87 7.63 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 0.00 142 S 7.37 5.14 0.00 4.19 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 0.00 143 F 8.58 4.06 0.00 3.14 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 0.00 144 G 7.95 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 0.00 0.00 0.00 145 E 8.08 3.99 0.00 2.04 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 2.30 0.00 146 F 8.15 4.28 0.00 3.00 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 0.00 147 L 7.58 3.13 0.00 0.76 1.38 -0.17 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 148 L 7.92 3.87 0.00 1.73 1.70 1.09 0.73 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 0.00 149 E 8.22 3.96 0.00 2.13 1.99 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 2.34 2.44 0.00 150 E 7.94 3.96 0.00 2.06 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 2.15 2.34 0.00 151 I 7.68 3.58 1.69 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 0.94 0.50 0.70 0.00 0.00 152 E 8.51 4.08 0.00 2.10 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 2.43 2.49 0.00 153 L 7.99 4.02 0.00 1.95 1.74 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 154 S 7.88 4.30 0.00 4.17 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 0.00 155 L 7.69 4.19 0.00 1.83 1.76 0.88 0.98 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 0.00 156 T 7.73 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 0.00 157 D 8.13 4.92 0.00 2.74 2.62 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 0.00 158 L 8.34 4.15 0.00 1.59 1.54 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.