NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3821 8.3349 115.5443 57.9272 64.9742 172.7659 3 I 3.4275 8.1183 122.4861 60.3862 38.1185 173.7661 4 K 4.7497 9.5192 128.0931 55.2183 33.9462 175.4892 5 V 4.8871 8.8850 125.9816 61.2690 34.1980 174.0958 6 C 5.3221 9.0338 124.5604 57.9998 31.6613 172.7885 7 I 4.8773 8.3078 122.2588 59.4240 39.9060 174.4055 8 A 5.0650 8.6800 128.7201 50.4682 21.3885 174.6482 9 D 4.6672 8.6959 120.2228 53.8887 45.0900 175.8152 10 D 4.9562 8.9093 122.4063 53.1510 40.3020 176.5855 11 N 4.6235 8.7935 120.4331 52.8731 38.9614 175.1799 12 R 4.0144 8.3767 128.5356 59.0580 30.2255 178.5279 13 E 3.9297 8.1960 118.7488 59.1790 29.6635 178.4782 14 L 3.9791 8.5772 120.6705 58.0844 42.1478 178.9670 15 V 3.6330 8.1001 118.3239 66.1530 31.4156 177.8184 16 S 4.1586 8.3372 112.8002 61.5047 62.1566 176.1370 17 L 4.0351 8.1763 121.6112 57.7661 41.2773 179.4950 18 L 4.1086 8.3051 119.1518 57.8617 41.5210 179.0670 19 D 4.3165 8.5728 118.3223 57.2568 40.9689 177.7236 20 E 3.9140 8.1674 118.5583 59.5316 30.0056 177.8544 21 Y 4.0943 8.2509 119.3924 60.8876 38.9303 178.1233 22 I 3.7271 8.2176 120.9345 64.5311 36.9881 178.6764 23 S 4.1832 8.2142 115.4752 61.1062 62.6899 176.1802 24 S 4.2672 7.3946 114.7520 58.7229 63.4693 174.2949 25 Q 4.1210 7.3134 123.9037 54.4467 29.2215 175.2699 26 P 4.1988 0.0000 0.0000 65.4258 31.5990 176.6760 27 D 4.7095 7.9450 116.5279 53.1554 39.6517 174.9913 28 M 5.2586 7.5545 117.9294 54.2535 36.5302 174.1302 29 E 4.6199 8.9311 120.3217 54.8672 33.8644 174.0291 30 V 4.6664 8.4182 126.6774 62.0762 31.9776 175.3129 31 I 4.2719 8.4835 121.8463 60.6009 38.6634 175.7573 32 G 4.1884 7.2833 108.5437 46.2015 0.0000 172.5274 33 T 5.2205 8.4819 110.4702 59.7410 72.2405 172.8216 34 A 4.4308 8.8052 123.6669 50.6732 22.8849 176.2953 35 Y 5.1049 8.5857 115.3125 57.0376 39.1220 174.9044 36 N 4.8865 7.5853 117.5450 50.8264 41.3595 175.3460 37 G 3.8947 8.1637 107.8240 47.4058 0.0000 176.1822 38 Q 4.0249 8.1569 119.8382 59.0225 28.8118 178.2246 39 D 4.3854 8.6003 119.9883 57.3007 40.7723 178.3939 40 C 4.0183 8.1330 119.2568 62.5434 31.4718 175.6698 41 L 3.9676 7.8533 120.4494 57.8220 40.8761 179.3481 42 Q 4.0183 8.1643 119.5926 59.3266 28.9582 177.8586 43 M 4.1661 8.3710 119.6274 58.7787 32.0654 178.2287 44 L 4.1088 7.8549 117.7112 57.3403 41.7281 178.9587 45 E 4.3985 7.8753 118.2852 59.1419 29.4540 178.4142 46 E 4.3018 7.8273 117.1766 56.8021 30.2624 176.7346 47 K 4.7219 8.0121 116.4231 54.7245 35.0770 176.4548 48 R 4.5444 7.9535 118.9306 53.5742 30.2440 173.6939 49 P 4.5270 0.0000 0.0000 62.5289 32.7543 177.2260 50 D 4.7368 9.1273 120.1729 56.5336 42.2694 176.6783 51 I 5.0767 7.7015 118.1264 59.2133 41.3856 174.2344 52 L 5.0496 8.8900 128.4158 53.2332 44.7889 174.7814 53 L 4.9037 8.8413 126.9209 53.5579 43.6276 175.5556 54 L 4.8032 8.4240 125.3841 53.6432 46.0718 176.6254 *56 I 3.9522 8.3536 118.3910 61.4263 38.6442 176.5596 57 I 4.2224 7.4853 125.9180 61.4613 35.7903 175.1690 58 M 4.8649 7.8914 123.5736 52.6479 36.4505 173.5972 59 P 4.3863 0.0000 0.0000 63.9704 32.6116 176.5396 60 H 4.4950 9.4512 120.8110 56.0067 27.0998 175.5279 61 L 4.4981 7.3064 119.5292 52.6636 45.0398 174.8036 62 D 5.1373 8.5713 126.1745 52.2447 42.3937 177.6224 63 G 3.6126 8.8492 106.6152 47.6685 0.0000 176.0143 64 L 4.0377 8.0145 120.6748 57.4553 41.7703 179.0542 65 A 4.0194 8.4450 121.0240 54.8744 18.2138 179.7178 66 V 3.5225 7.8890 116.8484 66.0556 31.6577 177.8472 67 L 3.8907 8.0523 120.0788 58.2747 41.9217 178.5216 68 E 3.9591 8.2449 119.0124 59.4941 29.5426 179.0018 69 R 4.0345 8.1821 118.0268 59.2100 30.0026 179.1190 70 I 3.8029 8.0694 119.8690 64.4040 36.8951 178.4733 71 R 4.6610 7.9309 118.7893 58.9933 30.0749 178.0036 72 A 4.4035 8.0694 118.8595 53.3052 18.8465 177.9860 73 G 3.9507 8.3516 103.5786 45.0140 0.0000 173.0343 74 F 4.7256 7.7052 116.7387 55.3329 42.2602 175.0085 75 E 4.0433 8.9912 125.6569 59.5431 29.8069 176.5710 76 H 4.5027 8.1556 117.3111 55.6515 30.8787 174.1512 77 Q 4.3490 8.0698 124.7582 53.0707 31.4654 173.1599 78 P 4.7312 0.0000 0.0000 62.6740 32.5993 175.5440 79 N 4.6769 9.0465 118.8016 52.9388 40.0036 174.3696 80 V 4.7227 8.3792 122.6526 61.1726 34.5639 174.0956 81 I 4.8518 8.5798 128.6232 59.6272 39.6103 174.9650 82 M 4.3305 8.5496 127.9489 55.1851 33.1163 175.8405 83 L 4.8330 8.7777 124.8608 53.7993 43.9448 174.9396 84 T 4.7555 8.4712 119.2406 60.4508 70.9195 174.2377 85 A 4.2230 8.8524 127.8267 54.2212 19.0938 178.4530 86 F 4.3459 8.3757 120.5559 56.9390 38.1506 176.2354 87 G 3.9936 7.6152 118.7471 44.2691 0.0000 172.1148 88 Q 3.9511 7.2927 119.7743 55.3639 31.8665 174.9938 89 E 3.8539 8.7048 125.7676 60.1086 29.5501 179.6836 90 D 4.4881 8.6725 118.7066 56.9743 40.7725 179.1024 91 V 3.6928 7.9581 118.8831 65.9680 31.6841 177.8852 92 T 3.3580 7.7212 109.6196 64.6616 68.3980 176.1729 93 K 3.8296 7.4935 121.6285 58.8479 32.1169 178.6102 94 K 3.9353 8.2959 119.7043 59.3092 32.0278 178.5219 95 A 4.0747 8.4109 121.6824 55.3214 18.3677 180.0705 96 V 3.5881 7.8405 117.6900 64.8792 31.3031 178.0898 97 E 3.9557 8.1538 119.1879 58.9333 29.5800 178.1199 98 L 4.3383 8.0414 116.5051 55.0288 41.9384 177.5699 99 G 4.0533 7.8277 107.3427 44.8799 0.0000 174.0385 100 A 4.1466 7.9775 123.0647 52.3715 18.8735 178.4700 101 S 4.4929 8.8881 118.7939 61.4418 63.9481 173.4299 102 Y 4.8063 7.7237 118.6882 56.8792 42.6953 173.4081 103 F 4.8361 7.1650 123.5220 57.0985 42.0182 173.0745 104 I 4.6481 8.7574 127.9743 59.4551 39.7394 175.3874 105 L 4.9280 8.6498 126.3012 54.3561 42.8181 176.4264 106 K 4.8426 8.4393 121.9681 55.0501 33.1361 175.2902 107 P 4.6799 0.0000 0.0000 62.0933 32.5702 174.9278 108 F 5.0294 7.6481 113.2840 54.5135 41.3767 173.7376 109 D 4.7259 8.4597 119.6973 53.0803 43.3786 176.9386 110 M 3.9393 8.3092 126.0473 58.5634 31.9318 178.8655 111 E 4.0167 8.2031 118.2053 59.3292 29.6987 178.7687 112 N 4.3179 8.7078 117.1813 56.4425 38.9841 176.5896 113 L 3.9597 8.0944 121.5563 58.2512 42.2154 178.7974 114 A 4.0762 8.3309 120.8602 55.3639 18.3408 178.8151 115 H 4.0178 8.3819 116.7360 60.0335 29.8065 177.1909 116 H 3.9563 8.2090 117.6619 58.6083 28.4046 177.6730 117 I 3.7074 8.1062 122.1038 64.7323 37.0344 178.6771 118 R 3.9515 8.0410 118.5257 59.3531 29.6465 179.2353 119 Q 3.9607 7.8366 116.9205 58.9054 28.6923 178.6645 120 V 3.7298 8.1118 119.6905 66.0026 31.3428 177.5022 121 Y 4.1733 8.1790 118.7460 60.4403 38.8007 177.3852 122 G 3.8770 8.1169 103.4696 45.8163 0.0000 175.0934 123 K 4.3753 7.6232 116.2419 55.4256 33.6044 175.3002 *125 T 4.1515 7.9277 108.9465 60.7227 69.8423 172.4492 126 P 4.2518 0.0000 0.0000 64.6084 31.5278 177.0257 127 V 4.0593 7.0889 117.1158 60.8969 31.8351 175.7748 128 V 3.7591 8.3590 126.1086 63.2593 31.3244 175.4248 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 S 8.33 4.38 0.00 3.81 3.89 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 3 I 8.12 3.43 1.61 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.10 0.72 0.00 0.00 4 K 9.52 4.75 0.00 1.80 1.72 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.75 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.35 7.81 5 V 8.88 4.89 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 1.10 0.00 0.00 0.90 0.00 0.00 6 C 9.03 5.32 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 7 I 8.31 4.88 1.82 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 1.15 0.73 0.90 0.00 0.00 8 A 8.68 5.07 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 9 D 8.70 4.67 0.00 2.73 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 10 D 8.91 4.96 0.00 2.88 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 11 N 8.79 4.62 0.00 2.81 2.96 0.00 0.00 7.15 7.92 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 12 R 8.38 4.01 0.00 1.78 1.79 0.00 2.89 0.00 0.00 2.98 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 1.40 0.00 13 E 8.20 3.93 0.00 2.08 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 2.38 2.44 0.00 14 L 8.58 3.98 0.00 1.84 1.90 1.06 1.37 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 15 V 8.10 3.63 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 0.98 0.00 0.00 1.11 0.00 0.00 16 S 8.34 4.16 0.00 3.99 4.04 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 17 L 8.18 4.04 0.00 1.92 1.74 0.95 0.50 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 18 L 8.31 4.11 0.00 1.95 1.80 1.00 1.41 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 19 D 8.57 4.32 0.00 2.79 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 20 E 8.17 3.91 0.00 2.03 2.30 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 2.39 2.35 0.00 21 Y 8.25 4.09 0.00 3.19 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 22 I 8.22 3.73 2.01 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.65 0.91 0.00 0.00 23 S 8.21 4.18 0.00 3.96 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 24 S 7.39 4.27 0.00 3.90 3.98 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 25 Q 7.31 4.12 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.83 0.00 0.00 0.00 0.00 0.00 2.11 2.31 0.00 26 P 0.00 4.20 0.00 2.13 2.15 0.00 3.68 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.92 0.00 27 D 7.94 4.71 0.00 2.74 2.86 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 28 M 7.55 5.26 0.00 1.75 2.01 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.35 0.00 29 E 8.93 4.62 0.00 1.95 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 2.17 2.23 0.00 30 V 8.42 4.67 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 0.88 0.00 0.00 0.99 0.00 0.00 31 I 8.48 4.27 1.85 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 1.26 0.76 0.89 0.00 0.00 32 G 7.28 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 0.00 0.00 0.00 0.00 33 T 8.48 5.22 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 1.15 0.00 0.00 34 A 8.81 4.43 1.07 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 35 Y 8.59 5.10 0.00 3.06 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 36 N 7.59 4.89 0.00 3.31 2.98 0.00 0.00 6.08 6.93 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 37 G 8.16 3.89 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 0.00 0.00 0.00 38 Q 8.16 4.02 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.84 0.00 0.00 0.00 0.00 0.00 2.48 2.39 0.00 39 D 8.60 4.39 0.00 2.84 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 40 C 8.13 4.02 0.00 3.07 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 41 L 7.85 3.97 0.00 1.98 1.89 1.01 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 42 Q 8.16 4.02 0.00 2.31 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.56 0.00 43 M 8.37 4.17 0.00 2.21 2.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.53 0.00 44 L 7.85 4.11 0.00 1.40 1.23 0.57 0.70 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 45 E 7.88 4.40 0.00 2.22 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 0.00 2.86 2.60 0.00 46 E 7.83 4.30 0.00 2.09 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 2.41 0.00 47 K 8.01 4.72 0.00 1.76 1.67 0.00 1.63 0.00 0.00 1.83 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.36 7.81 48 R 7.95 4.54 0.00 1.65 1.55 0.00 3.19 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.54 0.00 49 P 0.00 4.53 0.00 2.35 2.04 0.00 3.81 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 50 D 9.13 4.74 0.00 2.75 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 51 I 7.70 5.08 1.88 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.17 0.92 0.00 0.00 52 L 8.89 5.05 0.00 1.67 1.43 0.91 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.84 4.90 0.00 1.56 1.48 0.90 0.16 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 54 L 8.42 4.80 0.00 1.64 1.40 0.87 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 *56 I 8.35 3.95 1.87 0.00 0.00 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 1.38 0.28 0.87 0.00 0.00 57 I 7.49 4.22 1.84 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.32 0.85 0.00 0.00 58 M 7.89 4.86 0.00 1.96 1.90 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.53 0.00 59 P 0.00 4.39 0.00 2.06 2.11 0.00 3.81 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 2.11 1.99 0.00 60 H 9.45 4.50 0.00 3.35 3.54 0.00 5.89 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 7.31 4.50 0.00 1.69 1.47 0.94 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 62 D 8.57 5.14 0.00 3.17 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 63 G 8.85 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.01 4.04 0.00 1.84 1.74 0.97 0.85 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 65 A 8.44 4.02 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 66 V 7.89 3.52 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 1.01 0.00 0.00 0.98 0.00 0.00 67 L 8.05 3.89 0.00 1.99 1.83 0.91 1.08 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 68 E 8.24 3.96 0.00 2.22 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 2.33 2.37 0.00 69 R 8.18 4.03 0.00 2.11 2.12 0.00 3.42 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.88 0.00 70 I 8.07 3.80 1.98 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.16 0.82 0.00 0.00 71 R 7.93 4.66 0.00 1.84 2.14 0.00 3.11 0.00 0.00 3.10 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.52 0.00 72 A 8.07 4.40 1.33 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 0.00 0.00 0.00 73 G 8.35 3.95 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 0.00 74 F 7.71 4.73 0.00 3.19 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 75 E 8.99 4.04 0.00 1.96 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 2.35 2.33 0.00 76 H 8.16 4.50 0.00 3.17 3.29 0.00 5.92 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 Q 8.07 4.35 0.00 2.04 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.77 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 78 P 0.00 4.73 0.00 2.04 2.23 0.00 3.62 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 1.89 1.92 0.00 79 N 9.05 4.68 0.00 2.83 2.79 0.00 0.00 6.84 8.39 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 80 V 8.38 4.72 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 1.05 0.00 0.00 0.89 0.00 0.00 81 I 8.58 4.85 1.85 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 1.32 0.57 0.93 0.00 0.00 82 M 8.55 4.33 0.00 1.26 0.86 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.51 0.00 83 L 8.78 4.83 0.00 1.26 1.33 0.10 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 84 T 8.47 4.76 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 0.91 0.00 0.00 85 A 8.85 4.22 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 86 F 8.38 4.35 0.00 3.00 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 87 G 7.62 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 88 Q 7.29 3.95 0.00 1.45 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.77 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 89 E 8.70 3.85 0.00 1.96 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 2.33 2.32 0.00 90 D 8.67 4.49 0.00 2.84 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 91 V 7.96 3.69 2.39 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 1.49 0.00 0.00 1.26 0.00 0.00 92 T 7.72 3.36 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 0.47 0.00 0.00 93 K 7.49 3.83 0.00 1.98 2.01 0.00 1.62 0.00 0.00 1.54 0.00 0.00 2.88 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.42 1.43 7.81 94 K 8.30 3.94 0.00 2.05 1.99 0.00 1.60 0.00 0.00 1.67 0.00 0.00 3.07 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.53 7.81 95 A 8.41 4.07 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.84 3.59 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 0.94 0.00 0.00 97 E 8.15 3.96 0.00 1.99 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 0.00 2.34 2.37 0.00 98 L 8.04 4.34 0.00 1.83 1.71 0.97 1.20 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 99 G 7.83 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 0.00 100 A 7.98 4.15 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 0.00 101 S 8.89 4.49 0.00 3.92 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 0.00 102 Y 7.72 4.81 0.00 3.01 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 0.00 103 F 7.17 4.84 0.00 2.85 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 0.00 104 I 8.76 4.65 1.73 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 1.41 0.83 0.89 0.00 0.00 105 L 8.65 4.93 0.00 1.62 1.68 0.94 1.12 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 0.00 106 K 8.44 4.84 0.00 1.77 1.86 0.00 1.86 0.00 0.00 1.88 0.00 0.00 3.14 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.82 1.52 7.81 107 P 0.00 4.68 0.00 2.11 2.00 0.00 3.75 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 1.97 1.94 0.00 108 F 7.65 5.03 0.00 3.13 3.27 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 0.00 109 D 8.46 4.73 0.00 2.80 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 0.00 110 M 8.31 3.94 0.00 0.51 1.50 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 111 E 8.20 4.02 0.00 2.25 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 2.43 2.36 0.00 112 N 8.71 4.32 0.00 2.96 3.07 0.00 0.00 6.83 6.08 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 0.00 113 L 8.09 3.96 0.00 1.79 1.88 0.80 1.06 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 0.00 114 A 8.33 4.08 1.60 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 0.00 0.00 115 H 8.38 4.02 0.00 3.22 3.52 0.00 5.79 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 0.00 116 H 8.21 3.96 0.00 3.32 3.17 0.00 5.69 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 0.00 117 I 8.11 3.71 2.04 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 1.53 0.82 0.90 0.00 0.00 118 R 8.04 3.95 0.00 1.96 1.98 0.00 3.14 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 1.62 1.85 0.00 119 Q 7.84 3.96 0.00 1.88 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.97 0.00 0.00 0.00 0.00 0.00 2.21 2.15 0.00 120 V 8.11 3.73 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 1.03 0.00 0.00 0.96 0.00 0.00 121 Y 8.18 4.17 0.00 3.01 3.18 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 0.00 122 G 8.12 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 0.00 0.00 0.00 123 K 7.62 4.38 0.00 1.89 1.88 0.00 1.62 0.00 0.00 1.98 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.45 7.81 *125 T 7.93 4.15 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 1.19 0.00 0.00 126 P 0.00 4.25 0.00 2.06 2.15 0.00 3.66 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 2.02 2.07 0.00 127 V 7.09 4.06 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 0.73 0.00 0.00 0.93 0.00 0.00 128 V 8.36 3.76 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 0.80 0.00 0.00 0.92 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.