NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.6561 8.2227 120.4591 54.2412 43.1280 174.0456 3 I 4.5842 8.2763 125.7707 58.9948 40.4537 172.1105 4 R 4.6482 9.8238 131.6006 54.6447 33.7565 173.0797 5 Y 5.1426 8.4192 122.1990 56.3458 40.8293 175.0444 6 F 4.8303 8.9574 120.1409 56.0768 44.0437 174.8415 7 G 4.2678 8.9117 109.2195 46.9657 0.0000 173.6085 8 T 4.2420 7.6723 113.2918 63.1798 69.3810 175.3059 9 T 4.4587 7.9786 116.8816 58.7236 71.0411 173.5507 10 P 4.4200 0.0000 0.0000 64.3849 31.4646 176.5916 11 R 4.4791 7.5879 117.3749 57.5267 31.6917 175.2774 12 Y 4.8651 7.7915 114.2045 55.2308 41.1091 173.3355 13 S 4.7021 8.5728 116.3258 56.8830 63.1181 173.4969 14 E 4.1619 8.5656 128.7763 59.2759 30.5830 176.3444 15 A 5.1479 7.8222 119.4103 50.7003 23.4758 175.8450 16 V 4.9653 9.2219 121.0751 60.0757 34.8646 174.4113 17 G 4.6348 9.3069 112.7065 44.2446 0.0000 172.0298 18 A 4.9094 9.4559 126.2344 51.2345 22.9514 175.9247 19 N 4.2282 9.9079 122.7049 54.6707 37.6034 175.3804 20 G 3.9950 8.1332 104.6695 45.4825 0.0000 173.0512 21 L 4.5562 7.6591 123.0172 54.4463 43.6661 175.4378 22 I 4.9117 8.8214 126.9336 59.4657 40.5681 174.2416 23 F 5.0899 9.3826 126.1663 55.7454 40.5954 174.5326 24 L 4.8204 8.6985 124.3745 53.1772 43.3463 176.8957 25 S 4.3622 8.4166 119.3520 58.4403 63.7967 175.3104 26 G 4.2609 8.1652 109.4389 45.0944 0.0000 173.0322 *28 V 3.5025 7.9250 111.1602 59.7725 32.4097 173.8487 29 P 4.3911 0.0000 0.0000 62.9862 31.4862 176.0173 30 E 4.7066 9.3433 118.1464 55.9739 30.4608 175.3717 31 N 4.9349 7.8894 115.5364 53.0065 42.7418 175.0103 32 G 4.0903 8.9888 105.8576 46.1457 0.0000 172.4292 33 E 4.4370 9.1154 120.2136 57.3688 31.5334 177.4240 34 T 4.4011 7.8432 108.1928 60.3643 71.5773 175.2535 35 A 3.9794 8.4774 122.7123 55.2812 18.3754 179.5848 36 A 3.9411 8.3088 119.0979 55.5241 18.4763 179.6668 37 E 3.9223 7.7001 116.2385 59.8143 29.5583 179.8060 38 Q 4.1274 8.1869 117.9544 59.0446 28.7475 178.6692 39 T 3.7482 8.2517 116.9830 66.5968 68.5429 176.1537 40 A 3.8784 7.9070 122.4472 55.3125 18.3848 179.0917 41 D 4.2064 7.9967 116.2561 57.5998 41.3016 178.7292 42 V 3.5198 8.2735 118.9511 65.9725 31.5241 178.0103 43 L 3.4511 8.3609 118.7723 57.3166 41.2284 179.3617 44 A 4.0953 7.8502 121.0098 54.9781 18.2707 179.7092 45 Q 4.0382 8.1450 116.6889 59.2608 28.8409 179.0048 46 I 3.8730 7.8312 120.8542 64.3970 37.1155 178.1772 47 D 4.4772 8.2689 119.9637 57.5745 40.8566 179.1371 48 R 4.0462 8.1372 116.4227 59.0265 28.8445 178.7496 49 W 4.2626 8.6233 119.9922 59.2191 29.0851 178.6016 50 L 3.8382 8.6073 119.3859 57.4971 40.9178 179.1367 51 A 3.9562 8.5058 121.1250 55.3455 18.2343 179.2424 52 E 4.0897 7.8088 113.4532 57.9908 29.5292 177.9454 53 C 4.1783 7.2705 115.4808 58.1719 30.3253 173.2634 54 G 3.6404 9.5100 109.0642 45.7690 0.0000 172.4096 55 S 4.7571 8.0153 112.1976 57.4866 66.1542 171.2189 56 D 4.6072 7.9603 119.8152 52.0782 41.4441 175.8134 57 K 4.0222 8.3977 116.6025 57.9708 32.3610 177.2983 58 A 4.2753 7.5202 121.0101 53.1531 19.6874 177.5878 59 H 4.7192 8.0996 113.1092 55.2219 29.2764 173.7858 60 V 4.2101 7.6424 120.1989 62.3993 31.8172 175.6568 61 L 4.3641 9.1001 128.9001 57.3922 42.3656 176.7127 62 D 5.4419 7.9344 116.4370 51.8781 43.4472 173.4133 63 A 5.2429 9.3239 121.5825 50.3569 22.7710 174.9458 64 V 4.4007 8.6959 122.7861 61.1344 33.9093 174.3653 65 I 4.6957 8.4718 129.2746 59.7636 39.5306 174.0439 66 Y 5.1962 8.8951 125.5414 56.3293 40.1679 174.7067 67 L 5.2007 8.6308 123.8869 52.8421 44.3790 177.4804 68 R 4.1430 8.6205 123.8513 58.7346 30.7091 175.2375 69 D 4.7069 7.6665 117.6585 52.9323 43.6050 175.1604 *71 G 3.9615 8.6166 104.7112 45.6055 0.0000 172.9162 72 D 4.8590 8.0565 118.6941 54.2793 41.1696 176.8976 73 Y 4.2924 8.2927 121.7975 60.9316 39.0186 177.4367 74 A 3.9532 8.1319 122.0783 55.3332 18.7181 179.0835 75 E 3.9760 8.2611 114.4299 57.6307 30.3591 178.3554 *77 N 4.5639 8.3689 116.1885 52.8917 40.6475 176.6970 78 G 3.8579 8.2859 104.9042 48.0609 0.0000 175.8525 79 V 3.6390 7.4170 120.4181 65.2615 31.5922 177.7234 80 W 4.2429 8.2884 127.6594 60.8046 30.3153 177.4086 81 D 4.4117 9.0113 118.2416 57.4579 40.3769 178.5228 82 A 4.1107 7.7522 120.0303 54.2035 18.3567 178.8914 83 W 4.2981 7.4073 125.6458 58.9134 31.4620 177.4627 84 V 2.9072 6.6659 110.3258 60.9205 31.7394 175.5272 85 A 3.9904 7.8391 125.1612 50.8086 18.8446 177.1796 86 A 4.0882 8.3402 126.5598 53.9740 18.9109 176.7894 87 G 4.2259 9.0018 111.6420 45.2139 0.0000 174.2648 88 R 4.6183 7.2840 118.0215 55.3512 30.3542 176.3453 89 T 4.1285 7.5361 107.4762 60.7720 70.1308 172.7392 90 P 4.8074 0.0000 0.0000 61.7287 33.3592 175.2557 91 A 4.3159 8.8748 122.4224 52.2597 19.3186 176.7407 92 R 5.6168 8.6448 119.6840 54.2654 33.7951 173.9837 93 A 4.7301 8.3101 124.7570 50.3038 23.0522 174.3100 94 C 5.1219 8.5742 120.4389 57.7176 34.2769 173.5238 95 V 4.5419 8.4937 118.3065 59.5017 36.1786 173.9907 96 E 4.9760 8.7261 123.7592 55.3775 30.4822 175.4152 97 A 4.6863 9.2420 128.0870 50.8276 23.0756 176.1137 98 R 4.0251 8.7588 121.5905 56.1491 30.7311 175.7072 99 L 4.8369 8.0263 119.2039 52.4569 44.9536 177.2367 100 A 4.1061 8.8460 121.2842 54.6144 18.3474 177.9646 101 R 4.3269 6.7190 114.4927 53.1738 33.2523 175.0345 102 P 4.2273 0.0000 0.0000 65.8089 31.5946 177.8029 103 E 4.0940 7.9182 117.4772 58.5730 29.6396 177.4377 104 W 4.5863 7.6705 119.3527 56.9701 29.6364 176.0327 105 R 4.8153 9.3854 121.7560 56.2312 31.7882 176.0937 106 V 4.9993 7.5384 117.0867 60.4201 34.5483 173.2684 107 E 4.7125 9.3295 123.4081 54.6018 33.2789 173.9576 108 I 5.0106 8.4450 126.3291 59.3826 40.3656 174.4237 109 K 4.6620 8.9439 128.4703 54.7085 34.5006 174.7550 110 I 5.1068 8.0444 124.4781 59.8555 40.6224 174.5555 111 T 5.0259 9.1859 122.1398 61.8225 71.6596 173.1347 112 A 5.1869 9.0360 126.9109 50.5421 23.4506 174.5237 113 V 5.4712 8.6237 111.5419 58.7071 34.7665 176.2782 114 K 4.2399 8.4179 123.1175 55.8623 33.3577 177.0040 115 R 3.9724 8.0870 122.1570 56.5104 29.9735 176.7235 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 2 D 8.22 4.66 0.00 2.80 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 I 8.28 4.58 1.85 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 1.21 0.69 0.95 0.00 0.00 4 R 9.82 4.65 0.00 1.93 1.65 0.00 2.69 0.00 0.00 2.98 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.70 0.00 5 Y 8.42 5.14 0.00 2.72 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 6 F 8.96 4.83 0.00 3.05 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 7 G 8.91 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 T 7.67 4.24 4.19 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 0.00 0.00 0.00 1.09 0.00 0.00 9 T 7.98 4.46 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 0.90 0.00 0.00 10 P 0.00 4.42 0.00 2.18 2.19 0.00 3.66 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 11 R 7.59 4.48 0.00 1.89 2.12 0.00 3.42 0.00 0.00 3.36 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.62 0.00 12 Y 7.79 4.87 0.00 3.18 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 13 S 8.57 4.70 0.00 4.08 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 14 E 8.57 4.16 0.00 1.93 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 1.47 1.47 0.00 15 A 7.82 5.15 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 16 V 9.22 4.97 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 0.95 0.00 0.00 0.65 0.00 0.00 17 G 9.31 4.63 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 0.00 0.00 0.00 18 A 9.46 4.91 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 19 N 9.91 4.23 0.00 2.81 2.86 0.00 0.00 7.25 7.98 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 20 G 8.13 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 21 L 7.66 4.56 0.00 1.76 1.74 0.75 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 22 I 8.82 4.91 1.87 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.56 0.87 0.00 0.00 23 F 9.38 5.09 0.00 2.93 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 24 L 8.70 4.82 0.00 1.67 1.60 1.02 0.61 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 25 S 8.42 4.36 0.00 3.89 3.67 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 26 G 8.17 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 *28 V 7.92 3.50 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 0.45 0.00 0.00 0.10 0.00 0.00 29 P 0.00 4.39 0.00 2.06 1.93 0.00 2.95 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 1.34 2.02 0.00 30 E 9.34 4.71 0.00 2.05 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 0.00 2.32 2.24 0.00 31 N 7.89 4.93 0.00 2.87 2.70 0.00 0.00 7.23 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 32 G 8.99 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 E 9.12 4.44 0.00 1.90 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 0.00 2.23 2.28 0.00 34 T 7.84 4.40 4.43 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 1.23 0.00 0.00 35 A 8.48 3.98 1.36 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 0.00 0.00 36 A 8.31 3.94 1.41 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 37 E 7.70 3.92 0.00 2.34 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 2.37 0.00 38 Q 8.19 4.13 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.78 0.00 0.00 0.00 0.00 0.00 2.65 2.64 0.00 39 T 8.25 3.75 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 1.22 0.00 0.00 40 A 7.91 3.88 1.39 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 0.00 0.00 0.00 41 D 8.00 4.21 0.00 2.79 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 42 V 8.27 3.52 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 0.88 0.00 0.00 0.81 0.00 0.00 43 L 8.36 3.45 0.00 1.38 0.37 0.56 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 44 A 7.85 4.10 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 45 Q 8.15 4.04 0.00 2.34 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.45 2.63 0.00 46 I 7.83 3.87 2.05 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 1.58 0.55 1.10 0.00 0.00 47 D 8.27 4.48 0.00 3.01 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 48 R 8.14 4.05 0.00 1.86 2.11 0.00 2.68 0.00 0.00 2.98 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.40 0.00 49 W 8.62 4.26 0.00 3.56 3.22 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 50 L 8.61 3.84 0.00 1.96 1.81 1.06 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.51 3.96 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 52 E 7.81 4.09 0.00 1.89 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 2.06 2.32 0.00 53 C 7.27 4.18 0.00 2.82 2.69 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 54 G 9.51 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 0.00 0.00 0.00 55 S 8.02 4.76 0.00 3.73 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 56 D 7.96 4.61 0.00 2.77 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 57 K 8.40 4.02 0.00 0.79 1.40 0.00 0.61 0.00 0.00 1.19 0.00 0.00 2.43 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.06 0.92 7.81 58 A 7.52 4.28 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 59 H 8.10 4.72 0.00 3.29 3.37 0.00 5.81 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 60 V 7.64 4.21 2.12 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 0.95 0.00 0.00 1.08 0.00 0.00 61 L 9.10 4.36 0.00 1.77 1.68 0.86 0.66 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 62 D 7.93 5.44 0.00 2.78 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 63 A 9.32 5.24 1.43 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 0.00 0.00 64 V 8.70 4.40 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 0.36 0.00 0.00 0.89 0.00 0.00 65 I 8.47 4.70 1.61 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.44 0.77 0.00 0.00 66 Y 8.90 5.20 0.00 2.87 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 67 L 8.63 5.20 0.00 1.61 1.72 1.12 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 68 R 8.62 4.14 0.00 2.03 2.01 0.00 3.23 0.00 0.00 3.05 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.46 0.00 69 D 7.67 4.71 0.00 2.71 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 0.00 0.00 0.00 0.00 *71 G 8.62 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 72 D 8.06 4.86 0.00 2.88 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 73 Y 8.29 4.29 0.00 2.79 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 74 A 8.13 3.95 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 75 E 8.26 3.98 0.00 2.02 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 2.45 2.38 0.00 *77 N 8.37 4.56 0.00 2.81 2.79 0.00 0.00 6.89 7.95 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 78 G 8.29 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 79 V 7.42 3.64 2.12 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 0.99 0.00 0.00 1.05 0.00 0.00 80 W 8.29 4.24 0.00 3.48 3.23 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 81 D 9.01 4.41 0.00 2.76 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 82 A 7.75 4.11 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 83 W 7.41 4.30 0.00 3.24 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 84 V 6.67 2.91 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 -0.13 0.00 0.00 0.81 0.00 0.00 85 A 7.84 3.99 1.03 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 86 A 8.34 4.09 1.20 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 0.00 0.00 87 G 9.00 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 0.00 0.00 0.00 0.00 88 R 7.28 4.62 0.00 1.70 1.80 0.00 3.08 0.00 0.00 3.17 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.45 0.00 89 T 7.54 4.13 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 1.21 0.00 0.00 90 P 0.00 4.81 0.00 2.28 2.39 0.00 3.99 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 2.48 2.28 0.00 91 A 8.87 4.32 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 92 R 8.64 5.62 0.00 1.83 1.69 0.00 2.21 0.00 0.00 3.64 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.27 0.00 93 A 8.31 4.73 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 94 C 8.57 5.12 0.00 2.91 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 95 V 8.49 4.54 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 0.60 0.00 0.00 0.96 0.00 0.00 96 E 8.73 4.98 0.00 1.95 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 2.41 2.32 0.00 97 A 9.24 4.69 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 R 8.76 4.03 0.00 1.81 1.88 0.00 3.15 0.00 0.00 3.21 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 99 L 8.03 4.84 0.00 1.90 1.81 1.07 0.92 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 0.00 100 A 8.85 4.11 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 0.00 101 R 6.72 4.33 0.00 0.67 1.24 0.00 2.83 0.00 0.00 2.75 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 102 P 0.00 4.23 0.00 2.12 2.12 0.00 3.51 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.89 0.00 103 E 7.92 4.09 0.00 1.96 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 0.00 2.32 2.39 0.00 104 W 7.67 4.59 0.00 3.46 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 0.00 105 R 9.39 4.82 0.00 1.87 1.98 0.00 3.18 0.00 0.00 3.26 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.85 0.00 106 V 7.54 5.00 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 0.57 0.00 0.00 0.92 0.00 0.00 107 E 9.33 4.71 0.00 2.06 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 2.27 2.22 0.00 108 I 8.44 5.01 1.85 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 1.18 0.76 0.97 0.00 0.00 109 K 8.94 4.66 0.00 2.00 1.78 0.00 1.68 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.64 7.81 110 I 8.04 5.11 1.96 0.00 0.00 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 1.32 1.19 1.01 0.00 0.00 111 T 9.19 5.03 4.51 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 0.00 0.00 0.84 0.00 0.00 112 A 9.04 5.19 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 0.00 113 V 8.62 5.47 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 0.81 0.00 0.00 1.00 0.00 0.00 114 K 8.42 4.24 0.00 1.76 1.69 0.00 1.80 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.54 1.46 7.81 115 R 8.09 3.97 0.00 1.80 1.74 0.00 3.14 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.54 0.00 * Residues marked with a * may have inaccurate shift predictions.