NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.4775 8.1733 122.0853 56.2848 34.2768 174.0569 3 K 5.0144 10.4603 127.7283 53.2269 33.9949 170.3006 4 V 4.8442 8.7941 125.7874 59.8445 34.4372 174.4600 5 V 4.8312 8.5894 125.3129 61.4494 33.3341 174.7157 6 V 4.9868 8.4881 120.7305 59.7697 34.2246 175.5432 7 V 4.4804 8.8697 117.0104 59.7363 36.3252 175.8409 8 G 4.3121 8.2524 107.8826 45.9184 0.0000 171.9412 9 Y 4.3944 7.5975 116.0283 58.6899 38.3074 176.0892 10 S 5.1606 8.5269 116.5809 56.3673 65.9442 171.8898 11 G 3.6901 9.5262 107.0128 42.9782 0.0000 171.6923 12 P 4.1426 0.0000 0.0000 63.5502 30.8883 177.0781 13 V 3.9215 8.4867 121.4427 62.1290 31.7802 175.9617 14 N 4.8585 8.0063 116.3656 52.5746 38.3380 173.7010 15 K 4.6651 7.3624 117.6624 54.0469 35.7165 175.5144 16 S 4.5308 8.4065 116.1281 58.6686 63.0109 173.0722 17 P 4.8307 0.0000 0.0000 62.2344 32.1575 177.4992 18 V 3.8621 7.2848 120.4482 64.5418 31.6104 178.0589 19 S 4.1336 8.1838 115.2614 61.6645 62.5131 176.5148 20 E 4.0640 8.1478 121.3699 58.6226 29.2492 178.0888 21 L 4.4527 7.8730 116.9451 54.7541 41.8771 178.3724 22 R 3.8567 7.8104 121.1604 59.9188 29.8942 177.8193 23 D 4.4018 8.0364 117.9713 57.1256 41.0621 178.6863 24 I 3.7401 7.6876 113.1620 63.9956 37.5269 178.0716 25 C 4.0965 8.2425 118.4941 62.7927 28.1169 175.8983 26 L 4.0746 7.6926 120.0173 57.8736 41.1577 179.3873 27 E 3.9475 8.4317 119.3941 59.0098 29.5494 178.5529 28 L 4.0471 8.2663 120.8266 57.9702 42.1671 178.9421 29 G 3.6686 8.2131 105.7171 48.1867 0.0000 175.7668 30 R 4.1506 7.9748 122.5022 58.3255 30.0813 179.4818 31 T 3.8674 8.1106 115.4765 66.6164 68.6280 176.5161 32 L 4.1948 8.3559 121.1213 57.9816 41.6236 179.6393 33 A 4.0043 8.1243 120.2586 55.3107 18.2014 179.9281 34 K 3.9070 8.3154 115.8310 59.2615 32.1740 178.9740 35 K 4.1344 7.9913 116.5333 56.7495 32.2382 177.9498 36 G 3.8446 7.9673 108.2336 44.9984 0.0000 173.4658 37 Y 4.4834 7.1266 116.9313 57.7405 38.9126 175.0830 38 L 4.4297 8.5181 125.0264 54.3932 43.8799 175.3585 39 V 5.0536 8.2968 125.5161 61.2226 34.2885 174.2171 40 F 5.9562 9.2170 125.3602 55.1437 42.7766 173.7836 41 N 5.1752 8.5508 117.8306 51.6235 40.8797 175.3579 42 G 3.8128 8.9579 104.4026 45.8489 0.0000 174.4343 43 G 4.0943 8.5939 106.6282 46.1990 0.0000 173.9836 44 R 4.7124 7.6379 124.6346 56.5108 29.5290 174.2087 45 D 5.1227 8.5321 125.2634 54.0216 42.0203 177.2966 46 G 3.8184 8.5571 106.4623 46.5311 0.0000 175.9711 47 V 3.3565 8.4662 121.0716 63.1272 31.9811 178.1411 *49 E 4.3510 8.3948 119.9596 55.8091 31.3543 177.5629 50 L 3.9937 7.5898 117.6909 57.6959 41.6644 179.6743 51 V 3.7537 7.8579 118.3387 65.7940 31.3947 178.4035 52 S 4.0664 7.8238 114.5918 61.7104 62.8859 176.0800 53 Q 3.1970 8.2209 122.6644 58.9647 28.1781 178.7907 54 G 3.5452 8.2090 107.0065 47.4395 0.0000 175.9989 55 V 3.7657 7.5625 120.3736 65.8871 31.5501 178.4265 56 R 3.8291 7.9929 117.9390 59.1519 29.7651 178.7001 57 E 4.2093 8.1865 117.2885 58.5165 29.4294 178.2535 58 A 4.6433 7.7539 117.7619 50.8013 19.6679 176.3565 59 G 3.8070 8.4090 106.4722 47.3343 0.0000 174.3774 60 G 4.3331 8.4628 110.3657 44.7547 0.0000 173.4860 61 T 4.9210 8.4151 115.6900 61.6120 72.3241 173.8656 62 V 4.6121 8.4906 124.5977 60.1435 34.7023 174.2375 63 V 4.3841 8.6519 126.7861 61.1233 33.2642 174.6040 64 G 4.4887 8.8235 115.0916 44.6009 0.0000 172.2848 65 I 4.9450 8.4829 125.1831 59.5377 38.1949 175.3245 66 L 4.6343 9.1446 128.4740 52.8143 43.9466 174.5146 67 P 4.0524 0.0000 0.0000 65.4682 32.8024 177.2634 68 D 4.0878 9.6199 121.3466 55.0552 42.5000 174.1573 69 E 4.6719 8.7945 109.3351 55.8239 31.2096 176.6529 70 E 4.2030 7.8632 117.9258 56.5108 30.2980 177.3064 71 A 3.9724 8.5195 123.8766 54.5219 18.7197 178.6495 72 G 3.9744 8.2996 103.0959 45.5572 0.0000 172.8895 73 N 4.3398 8.7435 121.1805 52.5522 37.5895 173.8145 74 P 4.3090 0.0000 0.0000 63.9632 31.1917 176.3214 75 Y 4.5028 8.1489 116.5138 58.2393 38.9700 176.2282 76 L 4.1499 7.4121 119.3741 55.5927 42.1728 177.5723 77 S 4.3715 8.8338 120.2159 61.1558 63.6614 175.2338 78 V 4.4563 7.6111 118.2193 61.0704 35.0773 173.7413 79 A 4.8869 8.7141 129.2869 50.3361 20.7774 175.6144 80 V 4.1516 8.8282 123.7359 62.1406 32.9352 175.4210 81 K 4.6645 8.6740 127.7950 56.2877 32.7179 176.5464 82 T 4.2054 8.2485 112.3920 61.1924 70.9532 175.4633 83 G 3.8790 8.0262 106.7790 45.0775 0.0000 172.6234 84 L 4.7353 7.5093 118.9700 52.1487 44.2822 176.4716 85 D 4.6628 8.2564 120.5980 52.5721 40.8270 176.0400 86 F 4.1963 8.8872 116.6563 61.2118 38.5027 177.8149 87 Q 4.2206 8.1127 117.6648 56.5841 28.2882 177.9826 *89 R 4.2715 8.0959 120.5564 56.5495 31.9142 177.5713 90 S 4.0229 7.7634 113.7022 61.7471 62.4577 176.7994 91 F 3.9867 7.6087 118.4137 60.2719 38.4278 177.9329 92 V 3.8371 7.8319 111.8599 63.7905 31.4428 178.1090 93 L 3.9349 8.0151 120.4885 58.2938 41.9080 179.1544 94 L 3.9537 8.1406 118.9785 57.6539 41.2605 179.5361 95 R 4.0803 7.5390 116.1500 58.1233 29.9071 176.9459 96 N 4.4242 7.5474 114.9496 52.4352 38.5702 174.2392 97 A 4.8427 7.3423 121.0473 50.5807 21.1237 176.9151 98 D 4.8534 9.2566 122.3870 55.5218 42.4060 177.3519 99 V 4.6062 7.3799 115.9975 60.4124 34.8509 172.9215 100 V 4.8147 8.8282 123.1499 61.1647 34.2055 174.1824 101 V 4.7311 9.0154 127.8650 61.1383 34.0522 173.9050 102 S 5.1837 8.8821 122.6699 56.5908 65.1192 172.6364 103 I 4.6837 8.3718 126.9279 59.5320 41.0258 175.5378 104 G 3.1220 10.2139 116.5515 46.2281 0.0000 176.2480 105 G 4.0723 5.3800 107.9526 46.7605 0.0000 171.8439 106 E 5.2342 8.1769 119.9220 55.5372 30.9123 177.7058 107 I 3.6292 8.7159 119.5091 65.0940 38.1355 178.6342 108 G 3.6239 8.0735 106.1262 48.3265 0.0000 175.6376 109 T 4.1322 8.0563 118.7758 65.4850 68.4145 176.6466 110 A 3.6342 7.5557 122.7991 55.0315 18.2190 179.7110 111 I 3.5085 7.6710 118.4905 64.4998 36.7787 178.5911 112 E 3.7241 7.8366 119.2076 59.2283 29.1269 179.4076 113 I 3.6799 7.9412 120.2182 64.4851 37.1899 178.5715 114 L 4.1110 8.1252 120.1241 57.6931 41.4076 179.8626 115 G 3.7934 8.6436 106.0265 47.5532 0.0000 175.5933 116 A 4.0172 8.5045 123.5446 55.3134 18.5161 179.1397 117 Y 3.9986 7.9455 117.8922 60.8124 38.6771 178.0476 118 A 4.0688 8.1587 120.7451 54.5823 18.5852 178.7514 119 L 4.3155 7.9047 115.5561 55.1405 42.0452 177.8219 120 G 3.8030 7.6676 107.0636 44.9779 0.0000 173.0155 121 K 4.4996 8.0797 119.8950 54.0962 33.0756 175.2124 122 P 4.4381 0.0000 0.0000 63.0704 32.5805 175.1454 123 V 4.8243 8.2379 122.0020 61.1455 34.5051 174.1392 124 I 4.8071 8.9991 128.4561 59.5484 39.7039 174.5458 125 L 4.3444 9.2407 128.9966 53.9641 42.8007 176.2845 126 L 4.5584 8.5059 127.1181 53.2450 41.7273 175.8593 127 R 3.8039 7.9588 124.2762 56.8955 30.3018 177.8204 128 G 4.1187 9.3198 110.2841 45.6777 0.0000 174.2669 129 T 4.2195 7.1022 108.3485 61.3806 70.2897 176.8946 130 G 3.7966 8.4471 110.8948 45.1900 0.0000 172.0744 131 G 3.8263 8.6750 108.0470 46.3383 0.0000 173.6516 132 W 4.0352 8.5155 117.6017 59.5130 28.7276 178.4101 133 T 3.8666 7.4918 115.3008 66.7400 68.0228 175.7294 134 D 4.4088 8.0059 120.5139 56.8843 41.0925 178.7878 135 R 3.7221 7.6848 118.8205 59.4295 29.9935 178.4637 136 I 4.0250 8.4986 118.8550 63.7295 37.7561 177.7601 137 S 4.2513 7.6751 114.3106 60.7500 62.9093 175.6395 138 Q 4.3113 7.7804 119.8059 56.8641 28.6952 176.5176 139 V 4.4591 7.3182 112.9565 60.7715 32.8722 175.3768 140 L 4.4112 7.8789 120.4949 54.0616 42.4664 176.5335 141 I 4.0928 8.6136 125.4194 62.4452 37.4581 175.9657 142 D 4.1704 9.7813 123.1893 54.8658 38.4214 174.3626 143 G 3.9669 8.0921 104.3261 46.1049 0.0000 175.0474 144 K 4.2933 8.0447 116.6608 55.2064 34.8908 175.4585 145 Y 5.2192 7.5459 115.4300 56.2499 41.3222 175.6907 146 L 4.3493 7.2549 119.3504 54.5687 43.0448 175.9758 147 D 4.5626 7.2216 116.6472 52.5038 41.4838 175.9304 148 N 4.4817 8.8490 114.6434 54.6840 38.0533 176.0117 149 R 4.2477 8.3992 116.7266 55.8318 31.2331 176.5375 150 R 3.3202 7.8381 117.0939 56.6360 27.9477 176.4476 151 I 3.6885 7.4556 122.5051 63.8639 37.6452 177.4687 152 V 4.5424 6.8588 115.5018 60.1084 34.1544 172.9942 153 E 4.2139 8.7319 122.0220 56.2241 31.1085 175.2679 154 I 4.5624 8.2140 127.0336 60.2176 38.3980 175.1353 155 H 4.7626 9.7087 125.8328 54.8471 30.7576 174.4538 156 Q 5.0256 8.5651 119.0696 54.1259 31.6811 174.9190 157 A 5.0192 8.7920 124.3365 49.2203 22.6654 176.4789 158 W 4.6337 9.1639 120.2646 56.9287 30.0142 176.9456 159 T 4.7867 7.3452 114.7279 60.8230 73.4020 174.6131 160 V 3.6094 8.4065 123.2242 66.2642 31.7894 178.1458 161 E 3.9775 8.1612 118.5808 59.2142 29.3964 178.2431 162 E 3.9690 8.1138 118.7943 58.9701 29.7853 178.4036 163 A 3.9922 8.4505 121.2165 55.3392 18.4857 179.8109 164 V 3.5274 7.8483 116.6362 65.9804 31.4762 177.7382 165 Q 4.1630 7.9911 119.0479 59.5886 28.6211 178.7873 166 I 3.6934 7.3964 119.1937 64.3491 37.3880 178.1984 167 I 3.7735 7.6859 120.7402 64.2944 36.6560 178.3737 168 E 4.0829 8.3921 118.8181 59.5586 29.5032 179.1583 169 Q 4.0514 8.0995 115.9994 56.7025 28.7635 176.6402 170 I 3.6341 7.4667 125.8641 61.7230 37.6784 173.1713 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 K 8.17 4.48 0.00 2.17 2.07 0.00 1.68 0.00 0.00 1.84 0.00 0.00 2.98 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.55 7.81 3 K 10.46 5.01 0.00 1.82 1.87 0.00 1.61 0.00 0.00 1.55 0.00 0.00 3.23 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.72 1.57 7.81 4 V 8.79 4.84 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 0.66 0.00 0.00 0.85 0.00 0.00 5 V 8.59 4.83 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 0.94 0.00 0.00 0.92 0.00 0.00 6 V 8.49 4.99 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 0.74 0.00 0.00 0.95 0.00 0.00 7 V 8.87 4.48 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 0.85 0.00 0.00 0.87 0.00 0.00 8 G 8.25 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 0.00 0.00 0.00 0.00 9 Y 7.60 4.39 0.00 3.06 2.82 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 10 S 8.53 5.16 0.00 3.98 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 11 G 9.53 3.69 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 0.00 0.00 0.00 12 P 0.00 4.14 0.00 2.21 2.24 0.00 3.67 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.97 0.00 13 V 8.49 3.92 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 0.80 0.00 0.00 1.03 0.00 0.00 14 N 8.01 4.86 0.00 2.80 2.93 0.00 0.00 5.91 7.13 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 15 K 7.36 4.67 0.00 1.89 1.68 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.35 7.81 16 S 8.41 4.53 0.00 3.80 3.73 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 17 P 0.00 4.83 0.00 1.84 1.93 0.00 3.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 1.18 0.00 18 V 7.28 3.86 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 0.81 0.00 0.00 0.96 0.00 0.00 19 S 8.18 4.13 0.00 4.06 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 0.00 20 E 8.15 4.06 0.00 2.09 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 0.00 2.40 2.46 0.00 21 L 7.87 4.45 0.00 1.91 1.73 0.98 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 22 R 7.81 3.86 0.00 1.99 2.02 0.00 3.09 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 23 D 8.04 4.40 0.00 2.74 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 24 I 7.69 3.74 1.88 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 1.82 0.88 0.93 0.00 0.00 25 C 8.24 4.10 0.00 3.00 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 26 L 7.69 4.07 0.00 1.72 1.68 0.95 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 27 E 8.43 3.95 0.00 2.17 1.94 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 2.31 2.32 0.00 28 L 8.27 4.05 0.00 1.87 1.85 0.91 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.21 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 0.00 0.00 0.00 30 R 7.97 4.15 0.00 1.88 1.99 0.00 3.13 0.00 0.00 3.25 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.75 0.00 31 T 8.11 3.87 4.39 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 1.26 0.00 0.00 32 L 8.36 4.19 0.00 1.95 1.84 0.92 0.89 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 33 A 8.12 4.00 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 34 K 8.32 3.91 0.00 1.81 1.88 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.67 7.81 35 K 7.99 4.13 0.00 1.83 1.49 0.00 1.75 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.65 1.74 7.81 36 G 7.97 3.84 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 0.00 0.00 0.00 37 Y 7.13 4.48 0.00 3.10 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 38 L 8.52 4.43 0.00 1.87 1.68 0.80 1.00 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 39 V 8.30 5.05 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 0.94 0.00 0.00 0.98 0.00 0.00 40 F 9.22 5.96 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 41 N 8.55 5.18 0.00 2.83 2.99 0.00 0.00 6.05 6.92 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 42 G 8.96 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 43 G 8.59 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 44 R 7.64 4.71 0.00 1.94 1.81 0.00 3.38 0.00 0.00 3.52 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.92 0.00 45 D 8.53 5.12 0.00 2.81 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 46 G 8.56 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 0.00 0.00 0.00 47 V 8.47 3.36 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 0.93 0.00 0.00 1.13 0.00 0.00 *49 E 8.39 4.35 0.00 2.15 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 2.47 2.60 0.00 50 L 7.59 3.99 0.00 1.76 1.66 0.93 0.78 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 51 V 7.86 3.75 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 1.03 0.00 0.00 1.04 0.00 0.00 52 S 7.82 4.07 0.00 4.19 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 53 Q 8.22 3.20 0.00 0.93 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.03 1.16 0.00 54 G 8.21 3.55 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 0.00 0.00 0.00 55 V 7.56 3.77 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 1.02 0.00 0.00 0.96 0.00 0.00 56 R 7.99 3.83 0.00 1.94 2.03 0.00 3.37 0.00 0.00 3.30 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.08 0.00 57 E 8.19 4.21 0.00 2.08 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 2.33 2.32 0.00 58 A 7.75 4.64 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 G 8.41 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 60 G 8.46 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 69 E 8.79 4.67 0.00 2.04 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 0.00 2.13 2.27 0.00 70 E 7.86 4.20 0.00 1.98 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 2.35 2.19 0.00 71 A 8.52 3.97 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 72 G 8.30 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 0.00 0.00 0.00 0.00 73 N 8.74 4.34 0.00 3.07 3.27 0.00 0.00 6.46 8.05 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 74 P 0.00 4.31 0.00 1.81 2.01 0.00 3.69 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 1.30 1.75 0.00 75 Y 8.15 4.50 0.00 3.11 3.02 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 0.00 0.00 0.00 76 L 7.41 4.15 0.00 1.75 1.81 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 77 S 8.83 4.37 0.00 3.78 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 78 V 7.61 4.46 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 0.96 0.00 0.00 0.90 0.00 0.00 79 A 8.71 4.89 1.21 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 0.00 0.00 0.00 80 V 8.83 4.15 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 0.97 0.00 0.00 0.97 0.00 0.00 81 K 8.67 4.66 0.00 1.67 1.70 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.42 7.81 82 T 8.25 4.21 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 1.21 0.00 0.00 83 G 8.03 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 84 L 7.51 4.74 0.00 1.73 1.54 0.92 1.00 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 85 D 8.26 4.66 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 86 F 8.89 4.20 0.00 3.16 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 87 Q 8.11 4.22 0.00 2.25 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.39 0.00 0.00 0.00 0.00 0.00 2.46 2.41 0.00 *89 R 8.10 4.27 0.00 1.88 2.13 0.00 3.32 0.00 0.00 3.54 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.68 0.00 90 S 7.76 4.02 0.00 3.89 3.53 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 91 F 7.61 3.99 0.00 3.12 3.15 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 0.00 92 V 7.83 3.84 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 1.01 0.00 0.00 0.94 0.00 0.00 93 L 8.02 3.93 0.00 1.88 1.78 0.89 0.70 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 94 L 8.14 3.95 0.00 1.81 1.67 0.66 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 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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 1.12 0.87 0.91 0.00 0.00 104 G 10.21 3.12 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 0.00 105 G 5.38 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 0.00 106 E 8.18 5.23 0.00 2.10 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 2.63 2.34 0.00 107 I 8.72 3.63 1.94 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.37 0.90 0.00 0.00 108 G 8.07 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 0.00 0.00 0.00 0.00 109 T 8.06 4.13 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 1.13 0.00 0.00 110 A 7.56 3.63 0.02 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 0.00 0.00 0.00 0.00 0.00 111 I 7.67 3.51 1.91 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 1.45 0.48 0.91 0.00 0.00 112 E 7.84 3.72 0.00 2.07 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 2.09 2.31 0.00 113 I 7.94 3.68 1.89 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 1.47 0.98 0.87 0.00 0.00 114 L 8.13 4.11 0.00 1.77 1.72 0.77 1.01 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 0.00 115 G 8.64 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 0.00 0.00 0.00 116 A 8.50 4.02 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 0.00 117 Y 7.95 4.00 0.00 3.00 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 0.00 118 A 8.16 4.07 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 0.00 0.00 119 L 7.90 4.32 0.00 1.80 1.73 1.05 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 120 G 7.67 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 0.00 121 K 8.08 4.50 0.00 1.68 1.73 0.00 1.86 0.00 0.00 1.73 0.00 0.00 2.76 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.42 1.50 7.81 122 P 0.00 4.44 0.00 2.11 2.22 0.00 3.71 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.96 0.00 123 V 8.24 4.82 2.11 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 0.95 0.00 0.00 0.99 0.00 0.00 124 I 9.00 4.81 1.81 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.52 0.86 0.00 0.00 125 L 9.24 4.34 0.00 1.40 1.44 0.86 0.20 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 0.00 126 L 8.51 4.56 0.00 1.73 1.56 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 127 R 7.96 3.80 0.00 0.67 0.66 0.00 3.10 0.00 0.00 2.90 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.63 0.00 128 G 9.32 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 0.00 129 T 7.10 4.22 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 1.27 0.00 0.00 130 G 8.45 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 0.00 131 G 8.67 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 0.00 132 W 8.52 4.04 0.00 3.34 3.21 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 0.00 133 T 7.49 3.87 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 1.16 0.00 0.00 134 D 8.01 4.41 0.00 2.67 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 0.00 135 R 7.68 3.72 0.00 1.55 1.36 0.00 2.21 0.00 0.00 2.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.25 0.00 136 I 8.50 4.02 2.26 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.09 1.00 0.00 0.00 137 S 7.68 4.25 0.00 3.98 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 0.00 138 Q 7.78 4.31 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 7.43 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 139 V 7.32 4.46 2.11 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 0.75 0.00 0.00 1.04 0.00 0.00 140 L 7.88 4.41 0.00 1.68 1.55 0.92 0.69 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 0.00 141 I 8.61 4.09 2.01 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 1.33 0.77 0.99 0.00 0.00 142 D 9.78 4.17 0.00 3.02 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 0.00 143 G 8.09 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 0.00 0.00 0.00 0.00 144 K 8.04 4.29 0.00 0.79 0.96 0.00 1.37 0.00 0.00 1.54 0.00 0.00 2.75 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.12 1.37 7.81 145 Y 7.55 5.22 0.00 3.02 2.91 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 0.00 0.00 0.00 146 L 7.25 4.35 0.00 0.27 0.94 0.78 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 147 D 7.22 4.56 0.00 2.85 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 0.00 148 N 8.85 4.48 0.00 2.74 2.89 0.00 0.00 6.84 7.66 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 0.00 149 R 8.40 4.25 0.00 1.89 1.91 0.00 3.26 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 150 R 7.84 3.32 0.00 1.40 0.66 0.00 3.02 0.00 0.00 2.95 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.08 0.00 151 I 7.46 3.69 0.78 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 1.16 0.23 0.65 0.00 0.00 152 V 6.86 4.54 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 0.64 0.00 0.00 1.01 0.00 0.00 153 E 8.73 4.21 0.00 2.04 1.74 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 2.01 1.91 0.00 154 I 8.21 4.56 1.83 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.94 0.87 0.00 0.00 155 H 9.71 4.76 0.00 3.05 3.20 0.00 5.75 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 0.00 156 Q 8.57 5.03 0.00 1.87 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.71 0.00 0.00 0.00 0.00 0.00 2.11 2.25 0.00 157 A 8.79 5.02 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 0.00 158 W 9.16 4.63 0.00 3.28 3.33 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 0.00 159 T 7.35 4.79 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 1.32 0.00 0.00 160 V 8.41 3.61 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 1.05 0.00 0.00 0.99 0.00 0.00 161 E 8.16 3.98 0.00 2.10 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 2.40 2.39 0.00 162 E 8.11 3.97 0.00 2.14 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 2.43 2.43 0.00 163 A 8.45 3.99 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 0.00 164 V 7.85 3.53 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 1.21 0.00 0.00 1.06 0.00 0.00 165 Q 7.99 4.16 0.00 2.48 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 166 I 7.40 3.69 2.01 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 1.52 0.83 0.77 0.00 0.00 167 I 7.69 3.77 1.91 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.80 0.52 0.00 0.00 168 E 8.39 4.08 0.00 2.12 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 2.52 2.71 0.00 169 Q 8.10 4.05 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 5.87 0.00 0.00 0.00 0.00 0.00 2.41 2.59 0.00 170 I 7.47 3.63 1.88 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 1.17 0.23 0.92 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.