NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 5.3925 8.1832 118.6322 53.8245 39.4657 174.9476 2 L 4.0954 8.5554 127.4715 57.6125 41.9389 177.9081 3 L 4.0150 9.3916 120.4538 57.9343 41.8474 179.5611 4 Q 4.1293 9.4044 118.8458 58.9803 28.8517 177.9978 5 F 4.4840 8.5127 121.1500 61.6532 39.2860 176.6356 6 N 4.1263 8.6050 116.3231 56.1288 38.1444 177.2253 7 K 3.9332 7.3662 118.4593 59.7400 32.5915 178.2287 8 M 4.2274 8.2123 119.0353 58.8093 31.9897 178.7788 9 I 3.5623 8.0616 119.9530 64.3146 37.1557 178.3993 10 K 3.9647 7.8236 120.2365 59.1518 31.7940 178.4131 *12 E 4.3456 7.9668 116.8729 56.3649 31.4884 176.9142 13 E 4.1097 8.6487 118.1863 58.6741 29.6107 177.7360 14 T 4.2426 7.7278 106.1445 60.6523 70.1838 175.5129 15 G 3.8899 8.2096 110.1170 45.0959 0.0000 173.3004 16 K 4.3941 7.3683 117.3999 54.2303 35.1388 176.1665 17 N 4.4278 8.7115 118.7606 53.0821 38.6922 174.2401 18 A 3.9961 8.1459 123.0263 55.9381 18.9639 177.2487 19 I 4.0619 7.5127 116.1126 60.3665 37.8854 174.5719 20 P 4.5245 0.0000 0.0000 63.2836 32.6102 177.5647 21 F 4.5004 7.3563 116.8688 59.9032 38.7226 175.7137 22 Y 4.4063 8.5485 114.5172 57.3582 39.5256 176.6219 23 A 4.1676 7.8940 122.3209 54.2276 19.0961 177.6999 24 F 5.4263 8.3081 114.4346 55.5418 39.6384 172.4532 25 Y 4.8089 8.6179 123.2197 56.5784 42.8485 175.9326 26 G 3.6535 7.7186 114.9467 46.4895 0.0000 172.5868 27 C 4.6122 9.9931 115.3727 57.3659 41.7146 175.1009 28 Y 4.6200 8.4199 116.2204 59.5333 39.0415 175.6214 29 C 4.9036 8.3179 118.4154 56.4353 39.6449 173.8582 30 G 4.2525 8.2028 118.5775 44.8817 0.0000 172.7482 31 G 3.8126 8.8890 115.3264 46.0478 0.0000 172.3368 32 G 4.0490 8.4307 107.4256 46.5139 0.0000 174.9300 33 G 4.3229 7.7798 117.9436 43.4092 0.0000 174.8042 34 N 4.4097 8.5769 124.0534 52.3969 39.8792 174.3031 35 G 4.1169 6.7930 104.7400 44.3762 0.0000 176.1229 36 K 4.6602 8.4022 125.9979 53.0566 34.2020 172.8605 37 P 4.5475 0.0000 0.0000 62.8200 31.1170 176.7020 38 K 3.5036 8.6491 126.0089 58.7306 32.3920 175.6275 39 D 4.5353 7.5019 115.1627 52.5781 44.0941 176.3994 40 G 3.6271 8.5527 104.4976 48.8420 0.0000 175.5953 41 T 4.1280 8.1561 118.3540 66.6331 68.5821 175.9045 42 D 4.7175 9.6990 120.2920 57.4955 41.1245 178.7003 43 R 4.0485 8.1654 118.6940 59.4585 30.0819 177.8944 44 C 4.0291 8.3046 116.3942 60.5172 36.9718 175.7766 45 C 4.4459 8.3326 117.5157 60.1633 37.8035 175.5126 46 F 4.2541 8.2702 123.3898 60.7498 38.6751 177.2305 47 V 3.0716 8.3000 117.5715 66.3179 31.2220 177.4243 48 H 3.6886 8.3685 118.0712 59.1445 29.6197 176.9101 49 D 4.1482 8.2598 120.9818 57.5335 40.6584 177.7756 50 C 3.9129 7.8316 117.2824 60.4395 37.9457 175.1397 51 C 4.0405 8.4684 120.1865 60.2195 41.4542 175.1907 52 Y 4.1339 8.3394 118.1660 60.2597 37.2087 179.0575 53 G 3.4589 7.9535 106.8858 47.7770 0.0000 175.4088 54 R 4.0705 7.3896 119.9778 58.3237 31.2121 178.8484 55 L 4.3270 7.0778 115.2915 53.9889 40.1583 177.8062 56 V 3.6314 7.8458 116.1391 64.5585 32.2408 178.8012 *59 N 4.8681 7.9815 113.4433 52.7653 39.1916 175.3354 *61 C 4.2044 7.6733 114.8574 56.5717 42.1577 172.9700 *67 N 4.9946 8.4608 119.5656 53.1525 39.0578 175.1125 68 T 3.5281 7.4949 109.3977 64.1145 69.3592 175.8326 69 K 4.3020 7.9766 120.9775 57.7670 32.8478 177.9211 70 S 4.3996 7.9263 110.5318 58.2753 63.7954 172.7962 71 D 4.3389 7.9199 119.1941 54.2859 40.5541 175.7245 72 I 3.8593 8.2776 128.7436 61.3294 37.6885 175.2336 73 Y 5.0835 7.3281 122.3910 55.0800 40.7430 174.4032 74 S 5.0755 8.6359 114.0338 57.4776 66.6350 173.0094 75 Y 5.3597 8.2804 120.3409 56.2577 40.9374 173.1360 76 S 4.5508 9.0437 114.7412 56.5182 67.4969 172.5990 77 L 4.8240 8.4724 120.4507 53.2029 43.0016 174.7955 78 K 4.5904 8.5416 126.9776 55.7196 34.4333 175.6924 79 E 3.9236 9.9726 122.9438 57.4000 27.2046 175.5055 80 G 3.8010 8.4817 102.9386 46.0680 0.0000 173.4590 81 Y 4.8346 8.4663 117.5576 55.8136 40.5458 174.9820 82 I 4.8239 8.4444 124.9844 60.8267 38.7046 175.2087 83 T 4.7419 8.5450 120.4274 61.9985 71.6661 172.8049 84 C 5.0518 9.0504 123.6124 56.4586 41.7244 172.9951 85 G 4.1997 9.1757 109.8360 43.8327 0.0000 172.6001 86 K 4.3364 8.0016 118.8205 55.8245 32.6650 175.9668 *88 G 4.5282 8.2681 105.9787 45.8460 0.0000 173.0242 89 T 4.0804 8.2072 109.7475 61.1632 70.6677 174.4677 90 N 4.0984 8.7269 122.4582 57.4030 38.7807 177.2525 91 C 4.3104 8.2903 116.9737 60.3472 38.5539 175.9585 92 E 4.2022 8.0780 119.4286 59.6290 28.7327 179.3311 93 E 3.8490 8.4010 118.6944 59.4341 29.2790 179.4045 94 Q 3.9428 8.5057 117.9192 59.0299 29.1481 178.6530 95 I 3.6586 8.4600 121.6234 64.6452 37.1611 177.4925 96 C 2.8090 8.2997 120.0859 59.5291 37.5051 175.6230 97 E 3.6676 8.1245 119.8899 59.3143 29.0253 178.6848 98 C 4.2392 7.9790 116.8862 59.8669 41.2538 175.6214 99 D 3.3700 7.5461 119.8660 56.2803 40.5300 178.7163 100 R 3.7828 7.8490 119.5042 59.4060 30.1051 178.7614 101 V 3.4859 7.4946 117.3683 65.7752 31.4501 177.8424 102 A 3.5749 7.3581 119.4711 54.8990 18.0868 179.2803 103 A 3.8993 8.0267 119.2528 55.6355 17.9977 179.8507 104 E 3.9505 8.4832 117.0545 59.1714 29.3856 178.9679 105 C 4.1859 8.0797 119.3896 59.6446 43.5301 175.4167 106 F 4.3940 7.5865 118.4158 60.8042 38.5218 177.3932 107 R 4.0388 7.6391 117.1161 59.4326 29.8988 178.5088 108 R 4.1481 7.5657 116.4242 57.7359 30.6618 176.7653 109 N 5.1254 7.9503 116.2087 52.7186 39.3451 175.9458 110 L 4.3149 8.0012 120.3839 57.6180 42.5253 179.2609 111 D 4.6963 8.1676 113.4795 55.0596 39.0059 176.4252 112 T 4.4972 7.5894 114.2967 63.2982 70.0035 173.0186 113 Y 3.9475 8.8282 125.7903 57.5521 38.9145 174.6268 114 N 4.5150 9.6787 128.6859 52.1157 38.4002 174.9969 115 N 4.4303 8.7072 124.9127 56.2416 38.8531 177.5771 116 G 3.8115 7.9633 104.6397 47.2870 0.0000 173.4848 117 Y 4.4170 7.8497 117.7841 58.4652 38.1803 175.2812 118 M 4.0536 7.4925 120.9260 56.2531 32.7635 176.0239 119 F 3.9714 9.1020 122.9834 58.2664 37.4115 174.6129 120 Y 3.8625 7.3859 120.7680 57.5319 38.7736 176.4395 121 R 3.8155 8.1105 126.5302 56.6843 30.5757 177.5458 122 D 4.4200 8.5201 121.9856 56.8810 41.3046 178.3725 *124 S 4.3708 8.0146 114.1849 58.5580 64.4818 175.0832 125 K 4.1184 7.4969 116.1790 57.9098 31.7299 176.3171 126 C 5.5047 7.4984 116.0838 56.8015 40.4938 175.3224 127 T 4.2609 7.6214 118.2920 62.1708 67.2651 174.0277 128 E 4.6156 7.7115 121.8757 55.1869 31.9418 175.7399 129 T 3.9259 8.4727 116.8892 63.7123 68.2675 174.5090 130 S 4.4381 8.6973 122.7018 58.8333 63.6782 174.3731 131 E 4.2091 9.1789 124.5615 56.3840 30.6448 175.0255 132 E 4.7945 8.3968 122.2240 54.0365 31.5660 176.3369 133 C 4.5202 9.0157 122.9491 57.4871 41.2720 173.4886 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 N 8.18 5.39 0.00 2.86 2.89 0.00 0.00 7.06 5.78 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 2 L 8.56 4.10 0.00 1.93 1.87 1.07 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 3 L 9.39 4.01 0.00 1.97 1.76 0.94 1.30 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 4 Q 9.40 4.13 0.00 2.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.74 0.00 0.00 0.00 0.00 0.00 2.68 2.43 0.00 5 F 8.51 4.48 0.00 3.30 3.28 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 6 N 8.61 4.13 0.00 3.01 2.85 0.00 0.00 6.61 7.19 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 7 K 7.37 3.93 0.00 1.94 2.06 0.00 1.87 0.00 0.00 1.79 0.00 0.00 3.08 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.56 1.53 7.81 8 M 8.21 4.23 0.00 2.18 2.39 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.48 0.00 9 I 8.06 3.56 1.76 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 1.11 0.20 0.46 0.00 0.00 10 K 7.82 3.96 0.00 1.87 1.96 0.00 1.43 0.00 0.00 1.60 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.50 7.81 *12 E 7.97 4.35 0.00 2.18 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 2.24 2.35 0.00 13 E 8.65 4.11 0.00 1.99 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 2.45 2.47 0.00 14 T 7.73 4.24 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 1.07 0.00 0.00 15 G 8.21 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 16 K 7.37 4.39 0.00 0.79 1.06 0.00 1.07 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.02 1.34 7.81 17 N 8.71 4.43 0.00 3.06 2.86 0.00 0.00 6.94 7.35 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 18 A 8.15 4.00 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 19 I 7.51 4.06 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.31 0.85 0.00 0.00 20 P 0.00 4.52 0.00 2.21 2.41 0.00 3.00 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 1.33 1.80 0.00 21 F 7.36 4.50 0.00 3.10 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 22 Y 8.55 4.41 0.00 2.63 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.89 4.17 0.98 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 0.00 0.00 24 F 8.31 5.43 0.00 2.99 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 25 Y 8.62 4.81 0.00 2.95 2.70 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 26 G 7.72 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 27 C 9.99 4.61 0.00 2.31 2.64 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 28 Y 8.42 4.62 0.00 3.28 3.35 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 29 C 8.32 4.90 0.00 3.64 3.58 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.20 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 31 G 8.89 3.81 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 0.00 0.00 0.00 32 G 8.43 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 33 G 7.78 4.32 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 0.00 34 N 8.58 4.41 0.00 2.92 2.95 0.00 0.00 6.04 7.00 0.00 0.00 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 G 6.79 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 0.00 0.00 0.00 36 K 8.40 4.66 0.00 1.64 1.60 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.26 1.37 7.81 37 P 0.00 4.55 0.00 2.26 2.19 0.00 3.63 0.00 0.00 3.73 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 38 K 8.65 3.50 0.00 1.30 1.25 0.00 1.12 0.00 0.00 1.28 0.00 0.00 2.71 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.30 0.21 7.81 39 D 7.50 4.54 0.00 2.91 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 40 G 8.55 3.63 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 41 T 8.16 4.13 4.46 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 1.12 0.00 0.00 42 D 9.70 4.72 0.00 3.17 2.98 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 43 R 8.17 4.05 0.00 2.23 2.07 0.00 3.25 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.86 0.00 44 C 8.30 4.03 0.00 3.31 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 45 C 8.33 4.45 0.00 3.46 3.48 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 46 F 8.27 4.25 0.00 1.86 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 47 V 8.30 3.07 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 0.81 0.00 0.00 1.05 0.00 0.00 48 H 8.37 3.69 0.00 3.09 3.37 0.00 5.64 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 49 D 8.26 4.15 0.00 2.64 2.64 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 50 C 7.83 3.91 0.00 2.66 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 51 C 8.47 4.04 0.00 2.92 3.03 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 52 Y 8.34 4.13 0.00 2.99 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 53 G 7.95 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 54 R 7.39 4.07 0.00 1.76 2.00 0.00 3.30 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 1.87 1.79 0.00 55 L 7.08 4.33 0.00 1.70 1.56 0.86 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 56 V 7.85 3.63 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 0.83 0.00 0.00 1.08 0.00 0.00 *59 N 7.98 4.87 0.00 2.83 2.97 0.00 0.00 6.39 7.68 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 *61 C 7.67 4.20 0.00 2.92 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 *67 N 8.46 4.99 0.00 2.80 2.74 0.00 0.00 7.39 7.22 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 68 T 7.49 3.53 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 0.87 0.00 0.00 69 K 7.98 4.30 0.00 1.87 1.93 0.00 1.71 0.00 0.00 1.86 0.00 0.00 2.98 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.65 1.57 7.81 70 S 7.93 4.40 0.00 3.82 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 71 D 7.92 4.34 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 72 I 8.28 3.86 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 1.42 0.60 0.83 0.00 0.00 73 Y 7.33 5.08 0.00 3.06 2.98 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 74 S 8.64 5.08 0.00 3.82 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 75 Y 8.28 5.36 0.00 3.22 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 76 S 9.04 4.55 0.00 3.84 3.94 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 0.00 0.00 0.00 0.00 77 L 8.47 4.82 0.00 1.64 1.62 1.01 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 78 K 8.54 4.59 0.00 1.87 1.66 0.00 1.85 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.39 7.81 79 E 9.97 3.92 0.00 2.33 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 2.31 2.35 0.00 80 G 8.48 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 81 Y 8.47 4.83 0.00 3.16 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.44 4.82 1.94 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 1.62 0.62 1.02 0.00 0.00 83 T 8.55 4.74 4.31 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 1.24 0.00 0.00 84 C 9.05 5.05 0.00 2.84 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 85 G 9.18 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 0.00 0.00 0.00 86 K 8.00 4.34 0.00 1.79 1.82 0.00 2.00 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.37 7.81 *88 G 8.27 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 T 8.21 4.08 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 1.22 0.00 0.00 90 N 8.73 4.10 0.00 2.75 2.87 0.00 0.00 7.11 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 91 C 8.29 4.31 0.00 2.98 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 92 E 8.08 4.20 0.00 2.23 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 2.58 2.60 0.00 93 E 8.40 3.85 0.00 1.94 1.97 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 2.57 2.35 0.00 94 Q 8.51 3.94 0.00 2.04 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.92 0.00 0.00 0.00 0.00 0.00 2.51 2.39 0.00 95 I 8.46 3.66 1.91 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 1.08 0.91 0.92 0.00 0.00 96 C 8.30 2.81 0.00 1.83 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 97 E 8.12 3.67 0.00 2.11 1.88 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 2.35 2.41 0.00 98 C 7.98 4.24 0.00 3.31 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 99 D 7.55 3.37 0.00 2.49 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.85 3.78 0.00 1.91 1.82 0.00 3.35 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.61 0.00 101 V 7.49 3.49 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 0.92 0.00 0.00 0.88 0.00 0.00 102 A 7.36 3.57 1.18 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 0.00 0.00 103 A 8.03 3.90 1.49 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 0.00 0.00 104 E 8.48 3.95 0.00 2.25 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 2.36 2.33 0.00 105 C 8.08 4.19 0.00 2.95 2.79 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 0.00 106 F 7.59 4.39 0.00 2.87 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.64 4.04 0.00 1.87 2.11 0.00 3.28 0.00 0.00 3.20 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 108 R 7.57 4.15 0.00 2.04 1.99 0.00 3.35 0.00 0.00 3.24 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.81 0.00 109 N 7.95 5.13 0.00 2.86 2.90 0.00 0.00 7.02 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 0.00 110 L 8.00 4.31 0.00 1.72 1.70 0.87 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 111 D 8.17 4.70 0.00 2.78 2.80 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 0.00 112 T 7.59 4.50 4.31 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 1.24 0.00 0.00 113 Y 8.83 3.95 0.00 3.04 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 0.00 114 N 9.68 4.51 0.00 1.96 2.04 0.00 0.00 6.77 6.59 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 0.00 115 N 8.71 4.43 0.00 2.94 2.93 0.00 0.00 6.94 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 0.00 116 G 7.96 3.81 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 0.00 0.00 0.00 117 Y 7.85 4.42 0.00 2.31 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 M 7.49 4.05 0.00 1.61 1.81 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 1.01 0.00 119 F 9.10 3.97 0.00 3.13 2.93 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 0.00 120 Y 7.39 3.86 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 0.00 121 R 8.11 3.82 0.00 1.56 1.72 0.00 3.04 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.50 0.00 122 D 8.52 4.42 0.00 2.75 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 *124 S 8.01 4.37 0.00 3.76 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 0.00 125 K 7.50 4.12 0.00 1.23 1.60 0.00 0.66 0.00 0.00 0.61 0.00 0.00 2.33 0.00 0.00 2.47 0.00 0.00 0.00 0.00 1.07 1.04 7.81 126 C 7.50 5.50 0.00 3.25 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 0.00 127 T 7.62 4.26 4.22 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 1.20 0.00 0.00 128 E 7.71 4.62 0.00 2.04 1.97 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 2.18 2.18 0.00 129 T 8.47 3.93 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 0.00 130 S 8.70 4.44 0.00 3.86 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 0.00 131 E 9.18 4.21 0.00 1.85 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 2.15 2.13 0.00 132 E 8.40 4.79 0.00 2.03 1.86 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 2.23 2.43 0.00 133 C 9.02 4.52 0.00 3.00 2.93 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 * Residues marked with a * may have inaccurate shift predictions.