NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.5610 8.3033 120.1729 56.5505 31.9546 174.0504 3 T 4.8348 8.7289 118.2507 61.4200 72.3290 171.4972 4 I 4.9035 9.7297 128.1936 59.4670 41.0380 174.2767 5 I 4.9968 8.9879 127.0972 59.7793 40.7612 174.0923 6 H 5.5229 8.9533 123.4208 53.9272 32.0458 173.2368 7 K 4.6728 8.7333 122.3265 55.7815 33.6967 175.7921 8 I 5.0390 9.2181 125.9015 59.5190 40.3931 174.3231 9 R 4.9480 8.7887 127.7464 54.1942 32.1818 175.3469 10 L 4.0071 8.5990 126.5960 54.3834 42.3112 177.4938 11 F 4.4890 7.8731 121.1433 60.1982 39.3818 175.4122 12 D 4.5301 7.6481 120.2378 51.9691 43.3506 176.0342 13 V 3.5917 8.4900 120.6447 63.8257 31.3305 177.9364 14 A 4.0770 8.2907 119.7869 55.1903 18.2567 178.4987 15 Q 4.2862 8.1084 114.2288 56.3286 28.8506 177.5718 16 A 4.1410 8.0436 124.5727 55.3546 18.3347 179.2195 17 D 4.3370 8.3280 115.6658 57.8466 41.2481 178.4274 18 A 4.0830 8.0352 120.3525 55.0398 18.3803 179.0714 19 F 4.0503 8.5301 119.2427 61.7234 39.5589 177.2885 20 E 3.7625 8.9018 118.4911 59.1665 29.1611 179.2415 21 F 3.9201 8.4913 120.8603 60.8579 39.4603 176.8908 22 W 4.0670 8.3886 128.0497 60.4162 30.4447 177.8606 23 V 2.6744 7.6756 118.2408 66.0919 30.6756 178.1467 24 Q 3.4720 7.3303 115.9435 57.6429 28.6231 177.2647 25 N 4.5882 7.4665 114.8020 52.6064 40.1778 174.7360 26 V 3.9239 6.6307 117.3094 64.1156 33.8618 176.5606 27 D 3.7567 6.9403 118.8267 57.3755 40.7342 177.6196 28 Y 4.4656 8.0283 117.1676 61.3838 37.7674 178.8944 29 A 4.0646 7.3686 119.1020 54.7536 18.6413 179.0262 30 T 4.1504 7.6706 113.2813 65.3765 68.8198 176.6047 31 C 3.9298 7.7702 119.1718 62.4932 27.8957 174.3046 32 P 4.2588 0.0000 0.0000 65.4008 31.0291 176.7055 33 D 4.5587 8.1291 115.9159 54.6163 41.1289 176.4918 34 L 4.6162 7.7256 120.8733 51.8734 42.0156 175.0451 35 P 4.3125 0.0000 0.0000 65.4867 31.7196 178.2697 36 S 4.3353 9.0030 112.7612 60.1969 64.2164 174.4120 37 V 3.9387 7.7793 121.8605 62.7118 30.9338 175.6008 38 V 4.1155 8.8032 129.1992 64.7478 32.5939 176.3253 39 R 4.8278 7.6952 117.0171 54.8502 34.8045 174.1369 40 F 5.4877 8.5111 123.4483 57.1755 42.5830 172.9534 41 D 4.4350 8.1724 123.8411 52.0293 42.8509 174.1842 42 V 4.8275 8.1617 120.2813 61.5629 34.4087 174.5073 43 H 5.0279 9.3468 122.8184 54.0076 33.0284 172.5538 44 R 4.2025 9.0378 123.5890 56.2704 29.7648 175.2452 45 A 4.4812 8.8415 129.3939 53.7249 20.5982 177.2822 46 S 4.4200 7.2330 106.9224 57.5477 65.1255 174.3538 47 L 4.7102 8.1390 125.5089 54.3416 42.7338 176.6466 48 Q 4.0225 7.9127 118.3309 55.7561 29.1673 177.3610 49 A 3.9604 8.8622 126.2706 55.1728 18.4497 177.8867 50 N 4.7610 7.9629 109.5806 52.4001 36.5537 174.9175 51 A 3.9858 7.7605 122.9692 51.9890 18.7785 177.8410 52 P 4.4866 0.0000 0.0000 65.2752 31.7294 175.9530 53 Y 4.7792 6.6899 112.5502 56.3384 40.9239 173.6162 54 H 5.0699 9.3000 118.1502 55.8335 31.7070 174.0313 55 Y 5.3492 8.0451 113.7118 56.1265 42.7727 174.5367 56 V 5.1318 9.3322 121.7988 61.1509 34.7963 174.0286 57 E 5.2027 9.1991 125.6310 54.5489 32.8248 174.9393 58 V 4.7405 8.6716 122.2738 61.3320 34.4119 174.1259 59 I 4.8657 9.1103 129.6800 59.5191 39.7248 174.5430 60 K 4.8917 8.9681 130.1212 55.0485 33.3459 175.3967 61 I 5.1116 8.7813 121.1870 59.1739 40.2662 175.8896 62 T 4.1767 8.5894 114.4218 64.3248 68.6954 173.9766 63 D 4.6646 7.8023 120.3944 49.9647 42.1955 175.8086 64 R 3.9562 8.6296 120.5011 59.5848 29.9934 178.7619 65 A 3.9486 8.0628 119.8265 55.0747 18.5087 179.3046 66 A 3.9120 8.8354 119.6110 55.2243 18.2729 179.4743 67 F 4.5848 7.8565 119.1964 61.1506 39.5167 176.5465 68 D 4.2246 8.1370 116.9950 57.2959 40.6377 178.5900 69 A 4.0752 7.5195 119.7387 54.9374 18.7736 181.3255 70 D 4.3213 7.7646 119.1693 53.8053 40.6867 177.9003 *72 E 4.2191 8.1944 119.8207 55.6574 31.5526 175.5535 73 T 4.1817 7.3320 109.1115 61.8835 69.6529 175.5240 74 S 4.2831 8.5031 117.0624 61.1248 62.8558 176.6377 75 T 3.8563 7.8740 119.6685 66.7645 68.2411 176.0455 76 F 4.0550 8.0717 122.2974 61.0969 39.3836 177.0910 77 A 4.1380 8.1154 120.7800 54.8607 17.6526 179.8911 78 G 3.5864 8.0044 104.2402 47.6876 0.0000 176.0947 79 L 4.2896 7.5716 120.9434 57.7238 41.6505 179.5123 80 V 3.4782 7.5164 118.1960 66.1738 31.1394 177.7292 81 Q 3.9512 7.8859 117.5564 59.1024 29.2999 177.9717 82 A 3.9504 7.6872 121.0693 55.0123 18.2325 179.1079 83 F 3.2970 7.7253 118.6486 61.2527 39.3112 176.6697 84 S 4.5972 8.2221 111.8490 59.5495 62.9201 174.7385 85 R 4.0936 7.5864 119.1604 56.9859 29.7351 175.7706 *87 A 3.2747 7.6340 121.4301 51.5281 19.5970 175.4585 88 E 4.9838 7.8572 115.9468 54.6068 33.4690 174.8572 89 V 4.3896 8.7496 122.1042 63.2771 31.8318 175.9106 90 V 4.4386 8.6889 120.3831 61.5131 33.3790 175.4148 91 E 4.7643 7.8305 119.7731 55.0042 32.9516 173.0858 92 E 5.3191 8.8811 126.2336 54.3856 32.4369 174.7418 93 L 4.9764 9.2259 126.0376 53.0135 45.0759 175.3598 94 A 5.0722 8.4569 123.2202 50.9807 22.4546 175.1335 95 G 4.0731 8.7449 106.6544 45.4757 0.0000 171.4024 96 E 4.7635 8.5165 121.2904 54.4739 30.6145 175.7480 97 Q 4.0030 8.6384 128.0586 55.9731 29.8130 175.4633 98 L 4.2249 8.5091 125.1142 54.5646 42.3954 177.6630 99 G 3.6987 8.4176 115.2614 46.8998 0.0000 173.7928 100 S 4.2685 8.8074 116.0615 58.1951 63.6773 175.1967 101 G 3.9194 8.0260 108.8273 44.6591 0.0000 171.5848 102 Y 4.7298 8.3188 117.8934 55.5378 41.4049 174.8818 103 A 4.1228 7.2835 127.4881 49.8783 22.0437 175.9987 104 A 3.9182 8.1776 126.1419 51.5657 19.2374 177.5691 105 G 4.0145 8.7231 108.1609 46.2401 0.0000 173.4545 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 E 8.30 4.56 0.00 1.90 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 2.28 2.34 0.00 3 T 8.73 4.83 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 1.22 0.00 0.00 4 I 9.73 4.90 1.61 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.68 0.77 0.00 0.00 5 I 8.99 5.00 1.83 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 1.21 0.74 0.91 0.00 0.00 6 H 8.95 5.52 0.00 3.21 3.24 0.00 5.62 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 K 8.73 4.67 0.00 1.59 1.38 0.00 1.51 0.00 0.00 1.13 0.00 0.00 2.30 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.40 1.09 7.81 8 I 9.22 5.04 2.17 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.94 0.93 0.00 0.00 9 R 8.79 4.95 0.00 1.91 1.75 0.00 3.13 0.00 0.00 3.36 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 10 L 8.60 4.01 0.00 1.39 1.35 0.87 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 0.00 0.00 0.00 0.00 11 F 7.87 4.49 0.00 3.00 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 12 D 7.65 4.53 0.00 2.74 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 8.49 3.59 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 0.50 0.00 0.00 0.90 0.00 0.00 14 A 8.29 4.08 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 15 Q 8.11 4.29 0.00 2.30 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.70 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 16 A 8.04 4.14 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 17 D 8.33 4.34 0.00 2.85 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 18 A 8.04 4.08 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 19 F 8.53 4.05 0.00 3.08 3.24 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 0.00 20 E 8.90 3.76 0.00 2.10 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 2.48 2.84 0.00 21 F 8.49 3.92 0.00 3.21 3.11 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 22 W 8.39 4.07 0.00 3.50 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 0.00 23 V 7.68 2.67 1.66 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 0.21 0.00 0.00 0.33 0.00 0.00 24 Q 7.33 3.47 0.00 1.73 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.50 0.00 0.00 0.00 0.00 0.00 2.13 2.27 0.00 25 N 7.47 4.59 0.00 1.86 2.42 0.00 0.00 6.72 7.33 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 26 V 6.63 3.92 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 0.93 0.00 0.00 0.89 0.00 0.00 27 D 6.94 3.76 0.00 1.58 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 0.00 0.00 0.00 0.00 28 Y 8.03 4.47 0.00 2.96 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 29 A 7.37 4.06 1.26 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 30 T 7.67 4.15 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 1.18 0.00 0.00 31 C 7.77 3.93 0.00 3.08 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 32 P 0.00 4.26 0.00 2.02 2.11 0.00 3.79 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.10 0.00 33 D 8.13 4.56 0.00 2.85 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 34 L 7.73 4.62 0.00 1.71 1.77 1.01 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 35 P 0.00 4.31 0.00 2.04 2.13 0.00 4.07 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 36 S 9.00 4.34 0.00 3.95 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 0.00 37 V 7.78 3.94 2.21 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 0.76 0.00 0.00 1.05 0.00 0.00 38 V 8.80 4.12 2.18 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 0.80 0.00 0.00 0.93 0.00 0.00 39 R 7.70 4.83 0.00 1.75 1.72 0.00 3.15 0.00 0.00 3.24 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 40 F 8.51 5.49 0.00 2.94 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 41 D 8.17 4.44 0.00 2.57 2.45 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 42 V 8.16 4.83 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 0.98 0.00 0.00 0.82 0.00 0.00 43 H 9.35 5.03 0.00 3.16 3.22 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 44 R 9.04 4.20 0.00 2.03 1.92 0.00 3.24 0.00 0.00 3.24 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.39 0.00 45 A 8.84 4.48 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 46 S 7.23 4.42 0.00 3.55 3.49 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.14 4.71 0.00 1.58 1.56 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 48 Q 7.91 4.02 0.00 2.07 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.25 0.00 49 A 8.86 3.96 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 50 N 7.96 4.76 0.00 2.81 2.91 0.00 0.00 5.96 7.26 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 51 A 7.76 3.99 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 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.49 0.00 2.33 2.25 0.00 3.65 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 53 Y 6.69 4.78 0.00 3.16 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 H 9.30 5.07 0.00 2.95 3.04 0.00 5.57 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 Y 8.05 5.35 0.00 3.01 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 56 V 9.33 5.13 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 1.13 0.00 0.00 1.07 0.00 0.00 57 E 9.20 5.20 0.00 2.10 2.21 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 2.42 2.47 0.00 58 V 8.67 4.74 2.27 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 0.96 0.00 0.00 0.94 0.00 0.00 59 I 9.11 4.87 1.66 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 1.58 0.77 0.74 0.00 0.00 60 K 8.97 4.89 0.00 1.81 1.74 0.00 1.55 0.00 0.00 1.68 0.00 0.00 3.09 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.35 7.81 61 I 8.78 5.11 1.85 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.79 0.56 0.00 0.00 62 T 8.59 4.18 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 63 D 7.80 4.66 0.00 2.81 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 R 8.63 3.96 0.00 2.05 2.00 0.00 3.30 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 65 A 8.06 3.95 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 66 A 8.84 3.91 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 67 F 7.86 4.58 0.00 2.94 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 D 8.14 4.22 0.00 2.86 2.65 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 69 A 7.52 4.08 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 D 7.76 4.32 0.00 2.55 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.19 4.22 0.00 1.83 1.95 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 2.15 2.34 0.00 73 T 7.33 4.18 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 1.23 0.00 0.00 74 S 8.50 4.28 0.00 4.09 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 75 T 7.87 3.86 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 1.23 0.00 0.00 76 F 8.07 4.06 0.00 3.14 3.11 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 77 A 8.12 4.14 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 78 G 8.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.57 4.29 0.00 1.53 1.77 0.80 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 80 V 7.52 3.48 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 1.09 0.00 0.00 0.65 0.00 0.00 81 Q 7.89 3.95 0.00 2.15 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.73 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 82 A 7.69 3.95 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 F 7.73 3.30 0.00 2.71 3.16 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 84 S 8.22 4.60 0.00 4.11 4.20 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 85 R 7.59 4.09 0.00 1.93 1.96 0.00 3.35 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.67 0.00 *87 A 7.63 3.27 0.25 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 88 E 7.86 4.98 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.26 0.00 89 V 8.75 4.39 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 0.85 0.00 0.00 0.91 0.00 0.00 90 V 8.69 4.44 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 0.77 0.00 0.00 1.07 0.00 0.00 91 E 7.83 4.76 0.00 1.99 1.67 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 2.26 2.29 0.00 92 E 8.88 5.32 0.00 2.10 1.84 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 2.20 2.34 0.00 93 L 9.23 4.98 0.00 1.56 1.48 0.93 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 94 A 8.46 5.07 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 95 G 8.74 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 E 8.52 4.76 0.00 1.98 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 97 Q 8.64 4.00 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.79 0.00 0.00 0.00 0.00 0.00 2.48 2.38 0.00 98 L 8.51 4.22 0.00 1.68 1.62 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 99 G 8.42 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 0.00 100 S 8.81 4.27 0.00 3.88 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 0.00 101 G 8.03 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 0.00 102 Y 8.32 4.73 0.00 2.88 2.83 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 0.00 103 A 7.28 4.12 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.18 3.92 1.26 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 0.00 105 G 8.72 4.01 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.