NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.5722 8.3349 115.2923 58.3533 63.3958 173.3468 3 L 4.1481 10.0251 127.5871 54.4900 41.7285 174.9832 4 I 4.5388 8.4077 121.2971 59.6681 40.2541 175.0046 5 E 4.5803 8.7014 127.2447 54.4461 32.4211 175.2044 6 I 4.4748 8.3532 126.2319 60.9317 37.5987 175.9246 7 R 4.3849 9.1429 128.9013 58.2154 30.7830 176.3186 8 K 4.7533 7.6408 115.6607 55.8350 35.9960 174.7400 9 R 5.3074 8.4657 119.1187 54.7610 34.2558 174.7420 10 T 4.7587 8.7960 111.0648 59.8346 72.5003 172.3185 11 L 5.2209 8.5674 124.9509 53.3291 44.8280 175.1273 12 I 4.6253 9.0755 126.2803 59.0991 41.3784 173.9602 13 V 4.7288 8.4706 128.1531 61.1405 33.9604 173.8338 14 E 4.5720 9.4616 129.9803 54.8603 31.5328 174.4021 15 T 4.7792 8.4519 123.9051 62.2180 70.5252 173.9915 16 T 4.2697 8.6583 124.1649 62.1604 70.0624 174.9336 17 Y 4.3229 8.5216 125.0738 60.6576 38.9643 175.0777 18 H 4.5073 7.5566 111.3991 55.4419 30.9392 172.8850 19 E 4.6269 7.9947 117.3708 55.4667 29.2446 175.5158 20 N 4.6761 8.9338 111.9587 53.8291 36.5115 174.5091 21 G 3.9167 7.2231 107.4039 42.4296 0.0000 171.4295 22 P 4.1784 0.0000 0.0000 62.3696 31.4373 176.6076 23 A 4.2317 8.5315 127.1984 51.2389 18.9291 175.3152 24 P 4.5163 0.0000 0.0000 61.9328 32.3940 176.2175 25 A 4.1848 8.7238 122.1307 54.6853 18.2860 178.2211 26 Q 4.6263 7.6339 111.1907 53.4024 31.5234 173.1397 27 P 4.5564 0.0000 0.0000 62.6028 32.8525 174.9808 28 L 4.4193 8.4029 122.7540 54.1242 43.7182 175.2627 29 K 5.0957 8.7272 125.0439 54.5482 35.2782 174.9387 30 L 5.0868 8.8690 124.3283 52.8184 44.9603 175.4254 31 A 5.2792 8.6149 123.4564 50.0495 22.9934 174.3845 32 A 5.1781 9.1457 122.4256 50.0812 22.5989 175.0022 33 S 5.1587 9.2970 117.0529 56.7228 65.1654 172.6659 34 C 5.5108 9.3931 124.3398 57.9647 32.3357 172.9483 35 A 5.1128 8.9507 122.6966 50.3247 22.5163 175.0141 36 V 4.7115 8.8992 123.2058 61.1645 33.4564 174.7679 37 I 5.1739 8.6007 120.9962 58.6141 41.4320 174.6606 38 R 4.1825 8.3529 123.9001 56.4238 30.7464 175.5899 39 N 4.5630 9.2038 125.6848 52.0521 39.1280 174.0611 40 P 3.8904 0.0000 0.0000 64.5143 31.6359 176.9194 41 Y 4.5042 7.6096 114.5563 57.0611 38.5425 175.3277 42 A 4.2237 7.3041 124.4115 53.8404 18.6770 178.4254 43 G 4.0559 9.9383 111.9984 45.0692 0.0000 173.2965 44 R 4.6404 7.4685 114.0373 54.4914 32.5879 174.0849 45 Y 4.2549 8.5621 120.5080 56.5075 38.8686 174.3905 46 E 4.3041 7.9248 129.2009 53.5225 30.3782 173.8509 47 P 3.9532 0.0000 0.0000 64.4301 31.7486 175.6006 48 D 4.6182 8.1932 118.6272 52.5581 41.4067 175.5650 49 L 4.2018 7.6937 129.3284 52.3855 40.7918 175.3429 *51 P 4.4349 0.0000 0.0000 62.4679 33.8578 179.3188 52 F 4.7247 7.8635 116.6466 58.8335 38.8308 176.5426 *54 A 4.1644 8.1604 123.2333 51.6598 20.1711 179.5997 55 E 4.0032 8.2440 116.0381 59.2394 29.6489 178.7950 56 L 4.0051 7.9971 118.7711 56.8787 41.4415 179.0714 57 R 3.9208 7.6697 119.4437 59.4573 29.8941 178.5300 58 S 4.1189 7.9155 114.0119 61.1093 62.9631 176.3044 59 L 4.1414 7.8775 123.9012 57.7538 41.8748 178.8490 60 G 3.4940 8.2194 105.7761 48.2556 0.0000 175.8001 61 T 3.8622 8.0901 118.7522 65.9505 68.4971 176.6046 62 L 3.9716 7.8670 122.2984 58.2343 42.2201 179.1197 63 L 4.0677 8.2483 118.8277 57.7163 41.5816 179.3634 64 A 4.0571 8.3189 120.9613 55.5323 18.3062 179.8606 65 T 3.8554 8.1246 114.3271 66.6018 68.4591 176.5847 66 E 3.9512 8.1614 121.0562 59.2821 29.6806 178.9083 67 L 4.0221 8.0394 119.0718 57.7984 41.6055 179.7037 68 V 3.6212 8.0072 118.2556 66.1402 31.2687 177.8997 69 D 4.4008 8.1396 117.6259 57.2129 40.6232 178.7039 70 T 4.1000 7.6293 115.8604 66.3885 68.7677 176.3814 71 L 4.3823 7.9024 118.7996 53.8232 42.6503 178.0440 72 G 3.9203 8.4435 110.0030 46.1477 0.0000 175.0627 73 K 3.8854 8.9121 125.4222 57.8904 31.7641 175.1744 74 D 4.6838 8.0288 115.8501 55.4241 41.2329 176.3739 75 N 4.8006 8.2567 116.6938 52.8483 39.2518 174.1978 76 I 4.6416 7.1645 119.8438 60.7791 37.6054 175.3794 77 E 4.7629 9.6691 123.1924 55.8368 32.3678 175.9725 78 V 5.1943 7.9914 110.6692 58.8491 35.8402 173.9437 79 Y 5.1750 8.2852 119.4821 56.7708 42.0104 172.7441 80 S 4.7586 9.0062 113.7980 57.9767 66.8444 172.9848 81 K 5.3154 8.7014 118.8224 55.9162 36.0483 174.9819 82 A 5.6328 9.6952 121.5551 51.8215 23.3631 175.0724 83 A 4.9234 8.4960 119.7662 50.3801 23.3359 175.3059 84 I 4.7423 8.6392 122.2161 59.5245 40.5913 174.7906 85 V 4.2190 8.8305 128.3711 61.2079 33.2393 175.8666 86 G 4.0244 8.7834 114.8543 46.1274 0.0000 175.0392 87 V 3.7812 8.4357 113.6601 63.5677 31.9143 177.0686 88 D 4.6459 8.3165 119.0448 54.3873 41.3809 176.4563 89 G 4.6751 7.7953 109.9235 44.3030 0.0000 172.4030 90 E 4.5626 7.7569 120.1887 56.0484 28.9557 178.2634 *92 E 4.3030 8.9706 118.5791 56.2828 31.0206 176.8108 93 H 4.7405 8.2296 115.3398 58.3175 28.8310 177.2082 94 G 3.9742 8.1820 106.6904 46.8066 0.0000 175.6330 95 A 4.1670 7.7845 121.8180 54.9458 18.4398 179.9044 96 V 3.6463 8.0246 110.5481 63.9307 31.5266 177.7932 97 W 4.2587 8.4691 127.8562 59.4439 30.1859 177.5814 98 H 3.9892 7.9029 116.2898 59.1191 28.1760 177.0932 99 E 3.0978 7.7180 119.8498 58.7973 29.7419 178.2982 100 A 3.7018 7.3639 120.6223 54.8313 18.1445 179.9379 101 G 2.0925 6.7146 103.4526 47.0200 0.0000 176.1161 102 G 3.5575 6.8604 106.8219 47.3077 0.0000 175.6155 103 W 4.3976 8.2451 122.0159 59.0332 28.9684 178.8016 104 A 3.9598 7.2703 116.6790 53.2207 17.4957 179.0739 *106 R 4.3589 8.0139 120.0195 57.6760 32.4334 178.1298 107 S 4.2746 8.1780 111.7310 60.7978 62.5717 176.2571 108 V 3.5899 7.6958 118.7072 65.7501 31.2253 176.3921 109 L 4.3744 7.8553 116.6813 54.3007 41.5548 176.4510 110 G 3.6744 7.9903 106.5010 46.6788 0.0000 173.8466 111 E 3.6565 8.7576 114.7221 56.1901 26.8462 173.0053 112 P 4.3771 0.0000 0.0000 62.9486 32.2819 177.0860 113 K 4.2796 8.4850 118.2409 57.6521 33.2643 177.7696 114 A 4.9450 7.8864 127.4650 51.4238 20.0006 179.6865 *116 V 3.6768 8.3902 118.4242 64.0379 32.4072 173.0268 117 P 4.7500 0.0000 0.0000 63.0597 33.0613 174.4662 118 A 5.7622 8.4944 120.1166 52.2068 22.4052 175.8077 119 V 4.7409 8.2026 117.3644 60.6075 34.8129 173.4480 120 K 5.6901 8.7472 119.9150 56.0884 35.9351 174.5451 121 A 4.5650 8.3206 120.2563 51.0552 22.6936 175.0302 122 V 4.6432 8.0965 119.4587 61.3099 33.0328 174.7723 123 A 4.5129 8.8560 128.8484 50.9598 22.9210 175.5495 124 T 4.1053 8.3025 108.7001 60.5514 69.9474 174.1549 125 A 4.2913 7.7615 124.7077 53.5381 18.5702 178.3097 126 G 3.9698 8.9583 111.7304 44.9404 0.0000 173.4029 127 Y 4.0871 7.5586 121.0107 57.9414 39.2041 175.5847 128 R 4.8990 7.3286 124.3798 53.4841 32.9289 175.6118 *131 V 4.0061 7.9929 119.1998 62.2761 32.8006 172.5022 132 P 5.2255 0.0000 0.0000 62.5005 32.5434 175.7663 133 V 4.9798 9.1048 115.4299 59.2263 35.8654 173.9986 134 H 5.3678 8.4394 116.6776 54.1325 32.4264 171.5666 135 Y 4.8684 8.5364 120.1141 57.7139 39.2024 176.9322 136 I 3.2118 8.2615 120.0299 62.9792 37.8620 177.0278 137 H 4.3806 5.9802 115.5985 55.5132 29.8492 174.5001 138 A 4.3225 7.2406 116.9535 51.3359 21.3091 177.1365 139 S 4.0254 8.7029 119.3119 62.1184 63.0939 175.9755 140 Y 4.2482 8.0832 116.6740 58.5860 38.1432 175.4738 141 V 3.6972 7.6038 120.8328 62.8210 30.7381 176.3939 142 R 3.8482 8.5113 129.7834 59.0366 30.3255 178.8976 143 S 3.8816 7.9379 112.0362 60.7491 63.2018 175.1237 144 H 4.4127 7.4970 116.2294 56.2398 29.1745 175.4997 145 F 4.7405 7.0023 118.8903 58.3676 39.3270 174.2515 146 N 4.7910 8.8935 120.3550 53.9060 42.9624 172.6130 147 S 5.2333 8.4067 113.8139 57.5529 67.0758 173.9042 148 I 4.6673 8.3749 121.4795 59.3773 41.0812 174.1789 149 E 4.3528 8.8247 129.3211 55.1398 30.6406 175.2469 150 I 4.6306 9.2273 117.7941 58.1445 40.8180 174.1322 151 G 4.4933 7.3737 112.4724 44.8593 0.0000 172.0154 152 I 4.5507 7.3996 121.1427 58.8628 40.4181 176.4560 153 Q 4.0035 9.0413 126.4420 58.6598 28.8798 177.0013 154 D 4.9649 7.8559 114.9682 52.2174 40.0726 175.3014 155 A 4.7068 7.7100 120.4542 51.0852 22.7027 174.6745 156 P 4.6682 0.0000 0.0000 61.9795 32.6677 176.6684 157 R 4.2670 8.8205 120.8613 54.9793 31.0986 175.7663 158 P 4.3407 0.0000 0.0000 65.5193 31.4770 178.1910 159 R 4.5639 7.8262 115.7763 56.0155 30.6670 174.9145 160 E 5.2505 8.0785 116.5950 54.6309 34.1832 174.8776 161 I 4.7206 8.6027 120.4308 59.5136 41.7293 174.3493 162 L 4.7919 8.6935 128.4513 53.3502 43.9434 174.9187 163 F 4.9346 8.5514 124.6696 55.5552 41.8872 174.4726 164 A 5.3038 8.7527 122.9100 50.6037 23.0309 174.9803 165 L 5.3615 9.1574 119.0850 53.1289 46.2358 175.7809 166 V 5.5312 8.0659 120.2202 60.1311 36.0329 174.1100 *168 G 4.1921 8.3987 109.0965 46.5109 0.0000 173.2839 169 T 5.2513 7.9269 108.9021 60.6130 69.6344 175.2171 170 G 3.8084 7.1787 107.9134 45.5218 0.0000 172.5645 171 A 4.0755 8.2507 122.8937 50.7250 19.8625 177.7412 172 R 4.0228 8.3845 118.6921 56.5411 30.5734 179.1437 173 V 3.6784 8.3606 114.5189 64.1621 31.7581 176.3011 174 H 4.9911 7.7095 115.9405 54.5610 29.6643 173.6875 175 A 4.1142 7.7531 122.5439 53.0615 18.5853 179.8614 176 R 4.5999 8.2261 121.0551 55.3044 29.1927 175.3896 177 L 4.6652 8.1502 115.4908 55.0654 43.3862 178.7281 178 G 3.5417 8.6305 107.2714 48.3943 0.0000 174.7037 179 G 3.8287 8.7400 113.5848 44.0247 0.0000 171.7811 180 L 3.9826 8.3336 120.0695 55.3898 42.4745 176.6329 181 T 4.7242 8.0282 115.1970 59.3635 70.9360 174.3478 182 K 3.7150 8.4109 121.7871 59.8638 32.1390 179.3665 183 E 3.9797 8.0392 116.2425 58.8601 29.5369 177.4879 184 A 4.2828 7.6198 119.3762 52.1870 19.1483 177.6574 185 V 3.8448 7.1532 116.1600 63.1556 31.8294 175.8651 186 S 4.6087 8.6637 118.2996 58.2624 66.0757 175.6270 187 V 3.6621 7.8005 120.4149 65.0743 31.4571 176.2209 188 H 4.1071 7.8911 113.8156 57.0741 25.6539 174.8604 189 D 4.6100 8.3391 117.1494 53.2412 40.1539 176.9520 190 G 4.0990 8.3267 108.4686 46.6973 0.0000 174.2703 191 Q 4.6092 8.8849 116.7644 56.2259 30.8683 176.0834 192 R 4.2494 7.9313 120.5957 56.4242 31.2613 175.0268 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 4.57 0.00 3.87 3.85 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 3 L 10.03 4.15 0.00 1.99 1.82 1.13 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 4 I 8.41 4.54 1.93 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 1.35 0.86 0.97 0.00 0.00 5 E 8.70 4.58 0.00 1.86 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 2.27 2.29 0.00 6 I 8.35 4.47 1.89 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 1.26 0.52 0.95 0.00 0.00 7 R 9.14 4.38 0.00 1.76 1.92 0.00 3.25 0.00 0.00 3.26 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 8 K 7.64 4.75 0.00 1.81 1.83 0.00 1.49 0.00 0.00 1.80 0.00 0.00 2.80 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.38 1.46 7.81 9 R 8.47 5.31 0.00 1.66 1.87 0.00 3.17 0.00 0.00 3.29 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 10 T 8.80 4.76 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 1.21 0.00 0.00 11 L 8.57 5.22 0.00 1.63 1.56 1.00 0.98 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 12 I 9.08 4.63 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.59 0.96 0.00 0.00 13 V 8.47 4.73 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 14 E 9.46 4.57 0.00 2.00 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 2.16 2.23 0.00 15 T 8.45 4.78 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 0.69 0.00 0.00 16 T 8.66 4.27 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 1.15 0.00 0.00 17 Y 8.52 4.32 0.00 2.92 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 18 H 7.56 4.51 0.00 3.29 3.35 0.00 5.67 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 19 E 7.99 4.63 0.00 1.96 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 2.31 2.33 0.00 20 N 8.93 4.68 0.00 2.98 2.98 0.00 0.00 6.99 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 21 G 7.22 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 0.00 0.00 0.00 0.00 22 P 0.00 4.18 0.00 2.06 2.03 0.00 3.56 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 23 A 8.53 4.23 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 24 P 0.00 4.52 0.00 2.31 2.09 0.00 4.07 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 2.00 1.94 0.00 25 A 8.72 4.18 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 26 Q 7.63 4.63 0.00 2.38 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.00 0.00 0.00 0.00 0.00 0.00 2.21 1.88 0.00 27 P 0.00 4.56 0.00 1.75 1.84 0.00 3.79 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 1.93 2.02 0.00 28 L 8.40 4.42 0.00 1.73 1.47 0.94 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 29 K 8.73 5.10 0.00 1.70 1.63 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.77 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.26 1.31 7.81 30 L 8.87 5.09 0.00 1.55 1.54 0.92 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 31 A 8.61 5.28 1.24 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 0.00 0.00 32 A 9.15 5.18 1.23 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 33 S 9.30 5.16 0.00 3.90 3.77 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 34 C 9.39 5.51 0.00 2.83 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 35 A 8.95 5.11 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 36 V 8.90 4.71 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 0.95 0.00 0.00 0.88 0.00 0.00 37 I 8.60 5.17 2.02 0.00 0.00 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 1.33 1.14 0.98 0.00 0.00 38 R 8.35 4.18 0.00 1.84 1.83 0.00 3.24 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.51 0.00 39 N 9.20 4.56 0.00 2.70 2.70 0.00 0.00 7.04 7.73 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 40 P 0.00 3.89 0.00 0.49 1.42 0.00 2.78 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 1.76 0.00 41 Y 7.61 4.50 0.00 2.63 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 42 A 7.30 4.22 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 43 G 9.94 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 0.00 0.00 0.00 0.00 44 R 7.47 4.64 0.00 1.90 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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 E 8.24 4.00 0.00 2.23 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 2.36 2.38 0.00 56 L 8.00 4.01 0.00 1.42 1.56 -0.19 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 57 R 7.67 3.92 0.00 1.84 1.95 0.00 3.16 0.00 0.00 3.28 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 58 S 7.92 4.12 0.00 4.05 4.11 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 59 L 7.88 4.14 0.00 1.84 2.04 0.99 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 60 G 8.22 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 0.00 0.00 0.00 61 T 8.09 3.86 4.38 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 1.21 0.00 0.00 62 L 7.87 3.97 0.00 1.95 1.92 0.95 0.71 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 63 L 8.25 4.07 0.00 1.91 1.83 1.14 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 64 A 8.32 4.06 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 65 T 8.12 3.86 4.29 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 1.23 0.00 0.00 66 E 8.16 3.95 0.00 2.19 2.17 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 2.33 2.37 0.00 67 L 8.04 4.02 0.00 1.93 1.74 1.03 0.74 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 68 V 8.01 3.62 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 1.15 0.00 0.00 0.95 0.00 0.00 69 D 8.14 4.40 0.00 2.90 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 70 T 7.63 4.10 4.40 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 1.22 0.00 0.00 71 L 7.90 4.38 0.00 1.63 1.72 0.94 0.93 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 72 G 8.44 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 73 K 8.91 3.89 0.00 1.69 1.85 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.05 7.81 74 D 8.03 4.68 0.00 2.67 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 75 N 8.26 4.80 0.00 2.99 2.82 0.00 0.00 6.91 7.18 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 76 I 7.16 4.64 1.83 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 1.57 0.77 0.86 0.00 0.00 77 E 9.67 4.76 0.00 1.94 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 0.00 2.34 2.31 0.00 78 V 7.99 5.19 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 1.07 0.00 0.00 1.00 0.00 0.00 79 Y 8.29 5.18 0.00 2.97 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 80 S 9.01 4.76 0.00 4.01 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 0.00 81 K 8.70 5.32 0.00 1.95 1.75 0.00 1.29 0.00 0.00 1.43 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.52 1.43 7.81 82 A 9.70 5.63 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 83 A 8.50 4.92 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 84 I 8.64 4.74 1.81 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 1.19 0.69 0.92 0.00 0.00 85 V 8.83 4.22 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 0.80 0.00 0.00 0.95 0.00 0.00 86 G 8.78 4.02 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 0.00 87 V 8.44 3.78 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 0.75 0.00 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0.00 0.00 124 T 8.30 4.11 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 1.19 0.00 0.00 125 A 7.76 4.29 1.23 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 0.00 126 G 8.96 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 0.00 127 Y 7.56 4.09 0.00 3.05 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 0.00 128 R 7.33 4.90 0.00 1.54 1.74 0.00 3.53 0.00 0.00 2.66 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.37 0.00 *131 V 7.99 4.01 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 1.05 0.00 0.00 0.97 0.00 0.00 132 P 0.00 5.23 0.00 2.16 2.05 0.00 3.80 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 2.01 2.02 0.00 133 V 9.10 4.98 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 1.19 0.00 0.00 1.02 0.00 0.00 134 H 8.44 5.37 0.00 3.20 3.71 0.00 5.48 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 Y 8.54 4.87 0.00 2.77 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 0.00 136 I 8.26 3.21 0.87 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 -0.36 -0.40 0.00 0.00 137 H 5.98 4.38 0.00 2.57 3.20 0.00 5.74 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 A 7.24 4.32 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 0.00 139 S 8.70 4.03 0.00 3.69 4.02 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 0.00 140 Y 8.08 4.25 0.00 3.17 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 0.00 141 V 7.60 3.70 1.81 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 0.48 0.00 0.00 0.82 0.00 0.00 142 R 8.51 3.85 0.00 2.03 2.14 0.00 3.52 0.00 0.00 3.32 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.87 0.00 143 S 7.94 3.88 0.00 4.01 4.08 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 0.00 144 H 7.50 4.41 0.00 3.09 3.37 0.00 5.86 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 F 7.00 4.74 0.00 2.86 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 N 8.89 4.79 0.00 2.90 2.69 0.00 0.00 6.63 8.92 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 0.00 147 S 8.41 5.23 0.00 3.76 3.71 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 0.00 148 I 8.37 4.67 1.88 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 1.12 0.87 0.94 0.00 0.00 149 E 8.82 4.35 0.00 1.94 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 0.00 2.19 2.22 0.00 150 I 9.23 4.63 1.87 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 1.36 0.76 0.93 0.00 0.00 151 G 7.37 4.49 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 0.00 152 I 7.40 4.55 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 1.29 1.08 0.92 0.00 0.00 153 Q 9.04 4.00 0.00 2.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.51 0.00 0.00 0.00 0.00 0.00 2.34 2.30 0.00 154 D 7.86 4.96 0.00 2.78 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 0.00 155 A 7.71 4.71 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 0.00 156 P 0.00 4.67 0.00 2.27 2.06 0.00 3.69 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 2.00 1.98 0.00 157 R 8.82 4.27 0.00 1.95 1.88 0.00 3.12 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.80 0.00 158 P 0.00 4.34 0.00 2.15 2.10 0.00 3.54 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 2.10 2.11 0.00 159 R 7.83 4.56 0.00 1.81 1.85 0.00 3.04 0.00 0.00 3.30 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 160 E 8.08 5.25 0.00 1.98 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 2.16 2.20 0.00 161 I 8.60 4.72 1.45 0.00 0.00 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 1.01 0.77 -0.19 0.00 0.00 162 L 8.69 4.79 0.00 1.50 1.45 0.88 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 163 F 8.55 4.93 0.00 2.26 1.45 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 0.00 164 A 8.75 5.30 1.23 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 0.00 165 L 9.16 5.36 0.00 1.69 1.60 0.96 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 166 V 8.07 5.53 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 1.11 0.00 0.00 0.99 0.00 0.00 *168 G 8.40 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 0.00 169 T 7.93 5.25 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 1.25 0.00 0.00 170 G 7.18 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 0.00 171 A 8.25 4.08 1.09 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 0.00 172 R 8.38 4.02 0.00 1.87 1.87 0.00 3.17 0.00 0.00 3.38 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 173 V 8.36 3.68 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 0.62 0.00 0.00 0.70 0.00 0.00 174 H 7.71 4.99 0.00 3.12 3.22 0.00 5.72 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 A 7.75 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 176 R 8.23 4.60 0.00 1.90 1.98 0.00 3.00 0.00 0.00 3.33 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 177 L 8.15 4.67 0.00 1.67 1.72 0.97 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 178 G 8.63 3.54 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 0.00 0.00 0.00 179 G 8.74 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 0.00 180 L 8.33 3.98 0.00 1.76 1.77 0.90 0.68 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 0.00 181 T 8.03 4.72 4.30 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 0.00 0.00 1.22 0.00 0.00 182 K 8.41 3.72 0.00 1.67 1.80 0.00 1.56 0.00 0.00 1.59 0.00 0.00 2.83 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.30 0.96 7.81 183 E 8.04 3.98 0.00 1.91 1.99 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 2.29 2.35 0.00 184 A 7.62 4.28 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 0.00 185 V 7.15 3.84 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 0.74 0.00 0.00 1.09 0.00 0.00 186 S 8.66 4.61 0.00 3.94 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 V 7.80 3.66 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 0.84 0.00 0.00 0.90 0.00 0.00 188 H 7.89 4.11 0.00 3.37 3.38 0.00 5.74 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 D 8.34 4.61 0.00 2.79 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 0.00 190 G 8.33 4.10 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 0.00 191 Q 8.88 4.61 0.00 2.49 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.69 0.00 0.00 0.00 0.00 0.00 2.44 2.35 0.00 192 R 7.93 4.25 0.00 1.75 1.67 0.00 2.98 0.00 0.00 3.18 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.46 0.00 * Residues marked with a * may have inaccurate shift predictions.