NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6357 8.1633 120.6181 55.6408 33.8577 173.3492 2 R 5.0436 8.5412 126.2277 53.7697 31.8762 174.0473 3 I 4.9589 9.1140 126.0837 59.4652 40.3874 174.7011 4 G 3.6502 8.8474 113.6975 44.0757 0.0000 171.6283 5 I 4.8716 8.3646 125.7669 59.1353 39.8224 175.1031 6 I 4.1912 8.5405 129.5104 61.6400 37.1830 176.0852 7 S 4.6800 8.4743 121.7442 58.3563 63.0691 175.9069 8 V 3.6570 7.8676 115.3125 62.7930 31.8092 176.0005 9 G 3.7636 8.1629 104.4793 43.5952 0.0000 169.8255 10 P 4.4687 0.0000 0.0000 62.0520 33.4453 175.7327 11 G 4.1712 8.4501 107.3061 44.7941 0.0000 172.1404 12 N 4.5402 8.5339 117.5986 53.0948 39.0876 175.0259 13 I 4.3011 8.1810 119.0965 61.8078 38.6693 177.2608 14 M 4.2198 7.9122 120.5176 58.1608 31.8952 177.9013 15 N 4.3341 8.6087 117.0450 55.9924 38.5175 177.1422 16 L 3.8525 7.7087 121.4829 58.0070 42.3338 177.8389 17 Y 3.9920 7.8716 119.4613 60.9872 38.5863 178.5654 18 R 4.0082 8.4978 119.0939 59.2296 30.1883 179.3336 19 G 3.5199 8.0515 105.5549 47.6805 0.0000 176.0257 20 V 3.4802 7.9076 120.9660 65.5318 31.3391 177.9839 21 K 3.8039 7.7847 119.9687 58.6736 31.8532 178.3362 22 R 3.9891 8.1486 118.9296 59.5759 29.8559 178.5117 23 A 4.1368 7.8437 119.1208 54.6184 18.5278 178.8517 24 S 4.5810 8.1690 111.2218 59.0950 63.2123 175.8660 25 E 4.0474 7.6851 122.6362 60.1488 29.2496 178.3016 26 N 4.4576 8.0970 111.9606 54.2259 38.8778 174.8757 27 F 4.7007 7.7638 118.2747 55.8228 40.3518 175.7225 28 E 4.1948 8.7570 124.6447 57.0887 30.6196 176.0327 29 D 4.4374 8.6237 119.3077 55.9627 38.2726 174.2350 30 V 4.7178 7.5609 116.4133 59.8756 34.4898 176.7292 31 S 4.8478 8.9205 117.7436 56.7112 66.8158 173.2468 32 I 4.7927 8.3859 121.5636 60.0884 40.1664 174.2612 33 E 4.7497 9.4559 127.8870 54.8063 31.6915 175.7402 34 L 4.7086 8.5419 123.6939 54.5584 42.8408 176.2507 35 V 4.3368 8.6565 124.5121 61.5235 32.7606 175.9816 36 E 4.5528 8.6425 125.7789 56.4621 31.7032 175.1498 37 S 4.3427 7.1978 110.7480 56.8613 65.2651 172.6942 38 P 3.2021 0.0000 0.0000 61.3976 31.5433 176.3611 39 R 5.3496 8.0946 129.9611 57.1542 30.6227 174.2055 *42 L 3.8928 7.4128 117.1024 56.0208 42.9191 176.1379 43 Y 4.6713 8.3605 117.9533 56.6364 40.4157 175.9450 44 D 4.5915 8.8938 122.8790 56.7731 42.3446 176.0667 45 L 4.8418 7.9458 120.9769 53.1892 45.2275 174.6314 46 L 4.8189 8.9748 129.5525 53.3173 44.4085 174.7998 47 F 5.1895 9.3389 125.3753 56.0686 41.4865 174.9263 48 I 4.7637 9.0670 125.6915 59.2907 38.3782 173.4515 49 P 4.7639 0.0000 0.0000 61.6181 34.2915 173.9670 50 G 3.9496 7.6466 105.4421 44.2530 0.0000 172.7884 51 V 4.3738 8.4017 122.7342 61.9035 34.2566 175.6207 52 G 4.1264 7.9717 118.0502 46.8018 0.0000 170.4037 53 H 5.4557 8.0750 122.4471 53.7232 30.9898 175.7369 54 F 3.8699 9.6068 129.5580 61.5000 39.4327 177.2945 55 G 3.7263 8.1467 108.8917 48.6299 0.0000 173.1642 56 E 4.1739 7.6093 120.2733 56.9127 30.5327 176.5625 57 G 4.3394 8.9722 113.3331 46.6834 0.0000 176.0123 58 M 4.0350 7.3460 122.0115 58.2558 31.7552 179.9075 59 R 4.0459 7.9066 120.9448 61.5384 29.5154 182.3650 60 R 4.3927 7.8742 117.1811 58.6748 30.3665 178.6140 61 L 4.1973 8.0016 119.0216 57.2892 41.5484 179.4275 62 R 3.9516 7.5014 117.2136 59.2444 29.9152 178.6059 63 E 4.1851 8.3398 114.0724 57.8773 29.1756 177.3755 64 N 4.8633 7.5730 113.5494 52.0207 41.0767 173.8691 65 D 4.3671 8.2160 116.5522 55.6092 40.1099 174.2380 66 L 4.7525 7.9308 118.0853 55.3497 43.7817 178.3925 67 I 3.7051 7.8858 119.8241 64.8474 36.9149 177.7059 68 D 4.4310 8.0935 118.8650 57.0866 40.9908 178.3085 69 F 4.3218 8.2437 120.8625 61.2319 39.3580 177.2275 70 V 3.7102 8.4506 120.7166 66.4052 31.4712 178.6739 *71 R 4.0359 8.0962 122.8938 62.2918 29.0194 181.3920 *72 K 4.3085 8.4228 124.5035 59.5473 31.6420 181.1952 73 H 4.1580 7.5002 115.0035 58.9938 28.7630 177.7695 74 V 3.4576 7.6446 119.9407 66.2291 31.1157 177.5815 75 E 3.9413 7.9497 117.2743 58.6400 29.3404 177.0700 76 D 4.8020 7.5663 118.7410 54.0975 42.0278 176.2222 77 E 3.7441 7.6682 110.3281 56.2247 27.8002 177.8489 78 R 4.4618 7.5860 117.2560 56.7298 31.6211 175.9263 79 Y 4.3155 8.4603 119.0794 57.6389 39.5425 174.8834 80 V 4.6084 8.5901 123.7817 61.0898 34.7700 174.2936 81 V 4.7131 8.8883 129.1229 61.0372 34.0351 174.3987 82 G 4.2540 9.3666 116.8406 45.2780 0.0000 172.0804 83 V 4.8277 8.6240 125.2665 60.9278 33.9142 174.9002 84 C 3.7167 9.1856 126.3499 60.6097 27.7226 175.0897 85 L 4.0497 8.7482 130.5662 59.4332 40.8838 178.1773 86 G 3.7703 8.1532 104.0128 48.1927 0.0000 174.7847 87 M 4.1864 8.2667 120.4032 58.7137 32.4227 178.4221 88 Q 4.3976 8.1279 117.6392 58.9528 28.8715 178.4496 89 L 4.0407 8.0514 119.6599 57.0288 41.5933 179.0422 90 L 3.8441 7.9065 118.7982 56.5885 41.9296 176.9436 91 F 5.4072 7.7837 116.8722 55.2343 41.3305 175.9156 92 E 4.2960 9.3531 120.0279 58.9324 30.3586 177.0376 93 E 4.8047 7.6714 114.2203 55.5927 32.4980 174.4327 94 S 4.6405 7.5774 114.3705 56.4568 65.4718 173.3370 95 E 4.1064 8.0282 121.4351 58.4532 30.3355 178.6950 96 E 3.4304 7.6216 119.0356 57.6189 30.2934 176.4835 97 A 5.0833 7.4654 121.1851 51.1367 19.2058 173.6939 98 P 4.1281 0.0000 0.0000 63.2725 32.5450 177.7673 99 G 3.9841 8.8790 110.0500 45.2728 0.0000 173.3363 100 V 4.3073 7.4059 121.8078 61.2796 33.0179 176.1630 101 K 4.4640 8.6644 128.8486 54.5212 32.6647 174.6148 102 G 4.4421 8.7164 112.9414 44.3634 0.0000 173.4762 103 L 4.0687 8.6713 118.5601 55.7664 41.7114 177.8267 104 S 4.1148 8.0574 113.8007 59.4012 61.0423 174.7235 105 L 4.0282 7.3741 122.0316 56.7031 41.7490 177.9010 106 I 4.3258 7.3636 119.0909 58.6412 39.6066 174.7040 107 E 4.2697 8.7000 123.1725 54.9390 30.3078 177.2454 108 G 4.1819 7.8269 110.1715 44.7927 0.0000 169.6356 109 N 5.4269 7.9130 116.6939 51.5753 41.0863 173.2081 110 V 4.7839 8.3751 117.7765 61.3265 34.8830 174.5619 111 V 4.5888 8.7430 125.1849 60.9544 35.2722 173.7647 112 K 3.9144 8.6518 128.6281 56.4253 32.9599 176.6391 113 L 4.0765 8.0592 125.8639 54.6445 42.0983 178.3172 114 R 4.1417 9.1130 120.2607 57.2723 29.9728 176.9728 115 S 4.4360 7.3731 112.8611 57.2649 63.2874 174.3869 116 R 3.9732 8.3343 124.2691 58.3126 30.2208 176.9492 117 R 4.4424 7.6269 117.0107 54.8474 30.0066 175.7467 118 L 4.8166 8.0049 121.8659 52.2956 45.7516 174.6699 119 P 4.5106 0.0000 0.0000 62.0361 32.9257 175.5309 120 H 3.6099 8.5285 121.5749 56.5938 30.5548 174.0363 121 M 4.9400 8.6244 125.8467 54.4574 35.0920 174.4846 122 G 3.8517 7.9845 113.5187 43.7611 0.0000 170.9777 123 W 5.2284 8.7088 120.9522 56.3160 29.8314 175.8091 124 N 5.3909 9.7902 123.0530 51.5211 42.5028 172.7072 125 E 4.0732 8.4193 124.6778 55.8141 30.8112 175.6865 126 V 4.4920 8.8362 127.0109 60.3426 34.1621 174.0985 127 I 4.6661 8.4377 128.9702 59.6539 39.2424 174.7213 128 F 5.0938 9.5783 126.9842 56.3139 39.6619 176.6833 129 K 4.3475 9.6471 122.9965 59.6232 32.4531 176.5955 130 D 4.3760 8.4268 115.9352 54.3342 41.3920 175.1741 131 T 3.4708 8.7232 120.0713 64.0061 66.4827 172.8242 132 F 4.4205 7.1813 117.3271 55.2626 40.3018 173.9516 133 P 4.5539 0.0000 0.0000 62.0950 31.3194 176.5875 134 N 4.9075 9.1511 121.7034 52.6459 39.2866 175.4801 135 G 4.0461 7.5957 108.3668 45.4739 0.0000 170.1029 136 Y 5.0100 8.1293 117.5069 57.4318 38.8435 175.2121 137 Y 4.8156 9.2478 120.9267 55.8883 42.3987 174.5544 138 A 4.2634 8.2162 123.3570 51.1322 19.9575 176.5508 139 F 4.9871 9.2754 122.0732 56.5008 42.0567 176.1089 140 V 5.1554 8.4569 121.8296 62.5711 32.6015 172.2081 141 H 4.9275 9.3221 121.1472 54.7845 32.0692 174.2541 142 T 4.1265 8.7268 115.3256 64.4224 70.6675 174.0623 143 Y 5.1157 7.9233 117.9523 56.2202 40.7524 175.1781 144 R 4.8085 9.1580 118.0373 54.2241 33.2446 174.3799 145 A 4.4761 8.5349 121.3492 51.2603 20.3162 177.0071 146 V 4.3613 8.4419 120.7191 61.2800 34.2150 174.4379 147 C 5.0626 8.3038 121.4253 57.1789 32.9392 173.2223 148 E 4.2590 8.8214 117.8471 55.9187 30.0408 178.1102 149 E 4.0080 8.8786 121.4909 59.4645 29.8734 179.0244 150 E 3.8720 8.3268 118.5606 59.1558 29.6669 177.0201 151 H 5.2597 8.3707 113.0030 54.6352 29.3313 174.4398 152 V 4.1546 7.4762 120.5773 62.6157 32.2763 174.4444 153 L 4.7125 9.1771 128.5294 56.1384 44.2893 176.1078 154 G 4.2459 7.9002 104.1911 44.4747 0.0000 171.4513 155 T 4.9716 8.3805 117.3474 61.9092 72.2016 173.3293 156 T 4.9011 8.0695 120.0954 61.8894 73.4466 172.4091 157 E 5.1812 8.6299 123.2146 54.7502 31.8549 174.6153 158 Y 4.6830 8.8375 125.0633 56.4217 41.0450 174.6413 159 D 3.8397 9.3994 128.3486 55.3799 39.2245 174.2991 160 G 3.8298 8.2387 104.8709 45.3799 0.0000 172.8300 161 E 4.5891 7.8496 121.9447 54.4504 31.4941 174.5291 162 I 4.9385 8.4268 128.3783 60.1755 38.6387 175.0605 163 F 4.9981 8.6772 120.9174 54.4455 42.1511 172.2633 164 P 4.7050 0.0000 0.0000 62.8121 30.4888 176.6502 165 S 4.7164 8.5592 120.3194 59.7402 64.4448 173.8286 166 A 5.1093 7.6917 121.7058 50.7543 22.6963 175.0752 167 V 4.8975 8.6878 119.6270 61.7674 35.9970 174.3448 168 R 4.7347 9.0933 125.3068 55.8394 33.9458 173.6974 169 K 4.6301 8.6824 129.0647 54.7130 33.6667 178.2681 170 G 3.8670 8.6115 119.1947 46.6059 0.0000 172.3779 171 R 3.9884 8.7029 122.9436 55.4864 30.8815 174.7175 172 I 4.6616 7.3371 120.4410 60.2725 38.6188 174.9228 173 L 5.0293 9.2697 126.5723 52.7989 45.8488 175.8176 174 G 4.1553 8.5394 108.5520 44.4501 0.0000 171.3639 175 F 5.0157 8.8838 123.0915 55.5573 41.7848 175.7605 176 Q 4.1383 8.8389 125.4256 57.3682 29.6537 175.3956 177 F 4.2419 6.2265 113.0188 55.6519 40.2898 174.7614 178 H 4.6529 8.7601 118.3663 53.5383 28.3732 173.9753 179 P 4.5113 0.0000 0.0000 65.2958 31.4264 178.5312 180 E 4.1930 8.1624 113.4461 57.5986 29.7486 176.7707 181 A 4.7590 7.9381 121.8377 52.1995 19.9032 176.3297 182 S 4.7149 7.9775 113.8145 59.4038 64.2423 175.4270 183 S 3.6887 8.3606 115.1682 58.9169 61.8378 173.3979 184 K 3.9099 8.7796 113.3570 59.8751 31.8077 178.5912 185 I 3.8818 7.7632 118.1315 63.5936 37.8757 178.0814 186 G 3.7024 8.0575 106.7844 47.6148 0.0000 175.6505 187 R 3.9182 7.8256 121.1992 59.1921 30.1438 178.5474 188 K 4.0452 8.2414 119.3551 59.2700 32.1335 178.5672 189 L 4.0902 8.1659 120.7908 58.2488 42.1199 179.0037 190 L 4.0355 8.3860 119.3832 57.6717 41.5216 179.1550 191 E 4.0515 8.6633 119.0662 59.6175 29.6380 179.5089 192 K 4.2623 8.2632 119.3216 59.3624 31.9464 179.0455 193 V 3.7658 7.6816 118.1292 65.9065 31.6353 177.8413 194 I 3.6320 7.7495 119.4842 64.4736 36.7379 178.3144 195 E 3.9750 8.2175 118.0806 59.4319 29.3990 179.0194 196 C 4.2472 7.6617 116.8688 62.1895 28.0030 175.9123 197 S 4.2079 7.0319 114.1433 58.3773 63.1146 174.2168 198 L 4.3399 7.9880 128.6496 56.0030 42.3863 176.4798 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 M 8.16 4.64 0.00 2.33 2.06 0.00 0.00 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.58 0.00 2 R 8.54 5.04 0.00 1.84 1.99 0.00 3.11 0.00 0.00 3.20 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.56 0.00 3 I 9.11 4.96 2.07 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 1.19 0.75 1.09 0.00 0.00 4 G 8.85 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 I 8.36 4.87 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 1.32 0.95 0.92 0.00 0.00 6 I 8.54 4.19 1.99 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.49 0.92 0.00 0.00 7 S 8.47 4.68 0.00 3.86 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 8 V 7.87 3.66 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 0.92 0.00 0.00 9 G 8.16 3.76 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 0.00 0.00 0.00 10 P 0.00 4.47 0.00 2.23 2.23 0.00 3.75 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.96 0.00 11 G 8.45 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 12 N 8.53 4.54 0.00 2.69 2.75 0.00 0.00 6.80 7.94 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 13 I 8.18 4.30 1.87 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 1.63 0.39 0.90 0.00 0.00 14 M 7.91 4.22 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.52 0.00 15 N 8.61 4.33 0.00 2.94 2.87 0.00 0.00 6.50 6.22 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 16 L 7.71 3.85 0.00 1.67 1.68 0.62 0.46 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 17 Y 7.87 3.99 0.00 3.12 3.08 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 18 R 8.50 4.01 0.00 2.07 1.99 0.00 3.23 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 2.05 0.00 19 G 8.05 3.52 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 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.91 3.48 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 0.93 0.00 0.00 0.45 0.00 0.00 21 K 7.78 3.80 0.00 1.16 1.56 0.00 1.71 0.00 0.00 1.48 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.16 7.81 22 R 8.15 3.99 0.00 2.14 2.03 0.00 3.15 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 23 A 7.84 4.14 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 24 S 8.17 4.58 0.00 4.12 4.16 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 25 E 7.69 4.05 0.00 2.08 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 0.00 2.37 2.58 0.00 26 N 8.10 4.46 0.00 2.34 2.57 0.00 0.00 6.84 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 27 F 7.76 4.70 0.00 3.20 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.76 4.19 0.00 2.01 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 2.32 2.28 0.00 29 D 8.62 4.44 0.00 2.83 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 V 7.56 4.72 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 0.86 0.00 0.00 0.94 0.00 0.00 31 S 8.92 4.85 0.00 3.97 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 32 I 8.39 4.79 1.91 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.66 0.94 0.00 0.00 33 E 9.46 4.75 0.00 2.19 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 34 L 8.54 4.71 0.00 1.52 1.59 0.71 0.88 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 35 V 8.66 4.34 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 1.00 0.00 0.00 1.00 0.00 0.00 36 E 8.64 4.55 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 2.17 2.23 0.00 37 S 7.20 4.34 0.00 3.82 3.74 0.00 0.00 0.00 0.00 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1.91 0.00 3.12 0.00 0.00 3.12 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 115 S 7.37 4.44 0.00 3.57 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 0.00 116 R 8.33 3.97 0.00 2.07 1.95 0.00 3.36 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.22 0.00 117 R 7.63 4.44 0.00 1.85 2.09 0.00 3.34 0.00 0.00 3.33 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 118 L 8.00 4.82 0.00 1.53 1.44 0.79 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 119 P 0.00 4.51 0.00 1.90 1.95 0.00 3.68 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 120 H 8.53 3.61 0.00 2.62 2.92 0.00 5.56 0.00 0.00 0.00 0.00 6.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 M 8.62 4.94 0.00 1.97 1.83 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.53 0.00 122 G 7.98 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 0.00 0.00 0.00 123 W 8.71 5.23 0.00 3.26 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 0.00 124 N 9.79 5.39 0.00 2.76 2.27 0.00 0.00 6.42 7.21 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 0.00 125 E 8.42 4.07 0.00 1.16 1.51 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 0.00 2.08 1.88 0.00 126 V 8.84 4.49 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 0.32 0.00 0.00 0.92 0.00 0.00 127 I 8.44 4.67 1.80 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 1.14 0.83 0.93 0.00 0.00 128 F 9.58 5.09 0.00 3.28 3.30 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 0.00 129 K 9.65 4.35 0.00 1.74 1.97 0.00 2.00 0.00 0.00 1.81 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.47 7.81 130 D 8.43 4.38 0.00 2.74 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 0.00 131 T 8.72 3.47 3.62 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 0.37 0.00 0.00 132 F 7.18 4.42 0.00 1.51 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 0.00 0.00 0.00 0.00 133 P 0.00 4.55 0.00 2.23 2.11 0.00 3.83 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.18 0.00 134 N 9.15 4.91 0.00 2.84 2.87 0.00 0.00 7.07 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 0.00 135 G 7.60 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 0.00 0.00 0.00 136 Y 8.13 5.01 0.00 2.85 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 0.00 137 Y 9.25 4.82 0.00 2.19 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 0.00 138 A 8.22 4.26 0.46 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 0.00 139 F 9.28 4.99 0.00 2.93 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 V 8.46 5.16 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 0.74 0.00 0.00 0.89 0.00 0.00 141 H 9.32 4.93 0.00 3.37 3.42 0.00 5.48 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 0.00 142 T 8.73 4.13 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 143 Y 7.92 5.12 0.00 3.00 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 0.00 144 R 9.16 4.81 0.00 1.67 1.59 0.00 2.60 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.49 0.00 145 A 8.53 4.48 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 V 8.44 4.36 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 0.95 0.00 0.00 0.86 0.00 0.00 147 C 8.30 5.06 0.00 3.20 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 E 8.82 4.26 0.00 2.00 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 2.46 2.29 0.00 149 E 8.88 4.01 0.00 2.00 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 2.27 0.00 150 E 8.33 3.87 0.00 1.84 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.30 0.00 151 H 8.37 5.26 0.00 3.29 3.31 0.00 5.67 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 V 7.48 4.15 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 0.77 0.00 0.00 1.02 0.00 0.00 153 L 9.18 4.71 0.00 1.82 1.75 1.12 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 154 G 7.90 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 0.00 155 T 8.38 4.97 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 1.10 0.00 0.00 156 T 8.07 4.90 3.29 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 0.86 0.00 0.00 157 E 8.63 5.18 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 2.18 2.35 0.00 158 Y 8.84 4.68 0.00 2.71 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 0.00 159 D 9.40 3.84 0.00 1.60 2.23 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 0.00 160 G 8.24 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 0.00 0.00 0.00 161 E 7.85 4.59 0.00 2.03 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 2.32 2.29 0.00 162 I 8.43 4.94 1.88 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 1.39 0.71 0.86 0.00 0.00 163 F 8.68 5.00 0.00 3.13 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 0.00 164 P 0.00 4.71 0.00 2.05 2.14 0.00 3.98 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.12 0.00 165 S 8.56 4.72 0.00 4.31 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 0.00 166 A 7.69 5.11 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 0.00 167 V 8.69 4.90 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 0.97 0.00 0.00 1.22 0.00 0.00 168 R 9.09 4.73 0.00 1.89 1.78 0.00 3.16 0.00 0.00 3.15 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 169 K 8.68 4.63 0.00 1.54 1.47 0.00 1.49 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.23 1.29 7.81 170 G 8.61 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 R 8.70 3.99 0.00 1.42 0.79 0.00 2.77 0.00 0.00 2.47 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.29 0.00 172 I 7.34 4.66 1.80 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 1.09 1.02 0.80 0.00 0.00 173 L 9.27 5.03 0.00 1.39 1.02 1.21 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 174 G 8.54 4.16 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 0.00 175 F 8.88 5.02 0.00 2.50 1.46 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 0.00 176 Q 8.84 4.14 0.00 2.14 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.68 0.00 0.00 0.00 0.00 0.00 2.54 2.36 0.00 177 F 6.23 4.24 0.00 2.72 1.45 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 0.00 178 H 8.76 4.65 0.00 3.03 3.42 0.00 5.62 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 P 0.00 4.51 0.00 2.15 2.15 0.00 3.54 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 1.99 2.05 0.00 180 E 8.16 4.19 0.00 2.16 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 2.27 2.25 0.00 181 A 7.94 4.76 1.14 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 0.00 182 S 7.98 4.71 0.00 4.16 3.87 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 0.00 0.00 0.00 0.00 183 S 8.36 3.69 0.00 4.18 3.77 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 0.00 184 K 8.78 3.91 0.00 1.82 1.85 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.50 7.81 185 I 7.76 3.88 1.76 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.34 0.53 0.00 0.00 186 G 8.06 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 R 7.83 3.92 0.00 1.84 2.08 0.00 3.36 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 188 K 8.24 4.05 0.00 2.16 1.97 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.43 1.32 7.81 189 L 8.17 4.09 0.00 2.11 2.01 0.25 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 190 L 8.39 4.04 0.00 1.86 1.71 0.89 0.73 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 0.00 191 E 8.66 4.05 0.00 2.26 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 0.00 2.72 2.65 0.00 192 K 8.26 4.26 0.00 2.00 2.12 0.00 1.31 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.19 1.09 7.81 193 V 7.68 3.77 2.36 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 0.95 0.00 0.00 1.16 0.00 0.00 194 I 7.75 3.63 1.58 0.00 0.00 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 1.38 1.24 0.06 0.00 0.00 195 E 8.22 3.97 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.76 0.00 196 C 7.66 4.25 0.00 2.97 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 0.00 197 S 7.03 4.21 0.00 3.85 3.41 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 0.00 198 L 7.99 4.34 0.00 1.55 1.54 0.95 0.60 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 * Residues marked with a * may have inaccurate shift predictions.