NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 N 4.7229 8.4201 118.1286 52.8910 41.5846 176.4070 0 A 4.0237 7.9179 122.7666 51.7127 18.9109 176.2058 2 N 3.7764 9.6293 105.7822 55.8467 40.5422 174.8831 3 D 4.3686 7.9191 121.7846 57.0996 40.6764 178.5460 4 I 3.7423 7.5290 119.2613 64.3263 37.4220 178.3117 5 V 3.7170 7.8312 118.2472 66.1209 31.2532 177.8483 6 A 4.0695 7.9213 118.7796 54.3121 18.2560 178.6503 7 S 4.5000 7.6877 110.6932 58.0333 63.8094 173.9064 8 T 4.6406 7.3145 119.9281 62.0884 70.4699 174.2530 9 Q 4.1393 8.8601 126.0163 58.4051 29.1665 176.2003 10 L 4.9364 7.4002 114.7611 51.7813 45.6423 174.5957 11 P 4.7612 0.0000 0.0000 62.9950 32.1418 176.1767 12 N 4.7690 9.2396 121.8779 53.6129 40.0436 174.2934 13 T 4.8588 8.9146 112.0919 59.2365 72.8769 174.8119 14 I 3.6244 8.5542 121.4586 64.6221 36.9808 178.6872 15 K 3.9476 7.9782 118.7124 59.7729 31.9834 179.4205 16 T 3.9656 7.9755 110.0137 64.7077 68.7064 176.8698 17 I 3.6704 8.2023 123.1079 64.3270 37.1076 178.3750 18 T 3.7895 8.0951 116.8479 66.6185 68.2260 175.8506 19 N 4.2422 8.1201 118.7457 57.1185 39.0790 176.5871 20 D 4.3272 8.0879 119.9712 57.2682 40.8185 178.8761 21 L 3.9795 8.1865 119.8309 57.6664 41.6009 179.6431 22 R 4.0420 8.0668 118.0237 59.3640 29.8277 179.2469 23 K 3.9540 8.0230 117.0738 59.4124 32.0783 178.9092 24 L 4.1139 7.6146 119.5388 56.9796 42.0779 176.8431 25 G 3.6927 7.5098 104.7953 44.7873 0.0000 173.9262 26 L 3.9372 7.6295 123.1760 54.9403 42.6057 176.2241 27 K 4.6262 7.9426 123.1540 53.9682 36.2131 176.0414 28 K 4.3320 7.9036 122.0123 57.7336 32.8575 177.2482 29 G 3.7312 8.3012 114.2044 46.1562 0.0000 172.2177 *31 T 4.5123 7.4919 115.5769 63.6925 70.9680 174.3737 32 V 5.0313 8.7476 125.6911 60.0687 35.1981 174.0591 33 I 4.6278 8.6567 125.4830 60.2158 39.2803 174.3058 34 V 4.7804 8.3489 129.3135 61.3574 33.7867 174.3047 35 H 5.1230 8.9021 124.1683 54.1392 32.1606 172.7729 36 S 5.0376 8.5085 115.2480 57.2254 66.0625 173.4053 37 S 4.5123 8.4000 116.4790 56.3805 63.2770 174.0667 38 L 4.0632 8.7224 130.0301 58.2977 42.0729 178.8109 39 S 4.1574 8.0672 113.9534 61.4469 62.8715 176.4292 40 S 4.2166 7.9478 117.5506 61.0061 62.7209 176.4953 41 I 3.9140 7.5187 124.0135 62.0655 36.6904 176.4560 42 G 4.0591 7.7301 104.4649 43.8094 0.0000 172.4112 43 W 4.1088 9.3067 128.9370 57.1348 31.1721 174.8781 44 I 4.3974 6.9125 125.4578 59.1476 39.4051 174.5890 45 S 3.7093 8.1134 120.0779 59.7596 62.1374 174.0538 46 G 3.8921 8.5824 116.7067 44.4256 0.0000 174.2179 47 G 3.5956 7.1778 109.8197 45.5248 0.0000 176.1628 48 A 3.9141 8.5934 125.4222 54.7454 18.0098 179.4283 49 V 3.5773 7.8829 116.1051 66.3690 31.4633 177.9694 50 A 3.9212 7.8563 120.1375 55.1237 18.2123 179.8091 51 V 3.4391 7.3892 116.0939 65.9762 31.3494 178.5121 52 V 3.3458 7.5513 117.0199 66.0070 31.4443 177.5952 53 E 3.9333 8.0228 116.9602 59.1744 29.4580 178.9658 54 A 4.1374 7.9188 120.9451 54.8514 18.3938 180.6045 55 L 4.1562 7.6052 115.7185 55.1676 41.3490 178.9293 *57 E 4.2108 8.1374 121.6175 56.1400 31.4852 176.9300 58 V 3.8762 7.6218 117.7070 65.4706 32.2806 178.1274 59 I 3.6267 8.2076 121.0098 62.9906 37.2584 177.1933 60 T 3.8379 8.1117 111.5079 60.5774 68.9383 172.3512 61 E 3.3819 8.6923 119.3210 58.8923 29.3950 178.4608 62 E 4.0232 8.0222 117.0030 57.6922 29.9876 176.1961 63 G 4.3752 7.9285 106.9212 44.7445 0.0000 172.2148 64 T 5.3492 8.3102 114.3260 61.9025 73.0316 173.2169 65 I 4.8918 9.2465 126.6144 59.8753 39.9953 175.0962 66 I 5.8343 8.9932 127.8123 57.8953 41.0395 172.2928 *68 P 3.9813 0.0000 0.0000 62.4519 32.0632 176.8384 69 T 4.7757 8.0687 112.9246 61.0361 67.9532 174.3642 70 Q 4.2807 8.0053 120.4861 56.7208 30.5263 177.8572 71 S 4.7365 8.4629 115.4945 56.7964 62.9544 175.2373 72 S 4.2187 7.9193 118.0283 61.4133 63.6531 176.5828 73 D 4.2196 8.1817 120.0946 57.2273 40.7569 176.9943 74 L 4.6915 8.0511 116.4778 54.6113 41.7867 176.7545 75 S 4.7997 8.1439 114.4906 57.1019 64.3246 173.4810 76 D 4.5381 8.6695 121.0151 53.7130 41.4942 175.1879 77 P 2.0000 0.0000 0.0000 63.2872 31.4235 178.3281 78 K 2.0000 7.3897 118.8930 58.9744 32.2666 177.3785 79 H 4.7522 7.1140 113.8120 55.0950 28.7843 174.9516 80 W 4.7830 7.5299 120.6813 56.4843 29.6172 176.3962 81 S 4.7991 8.7932 114.6615 57.5810 64.1976 173.3713 82 R 4.6779 7.7360 116.9366 53.3985 28.7518 172.4620 83 P 4.8601 0.0000 0.0000 60.5507 33.8829 173.9167 84 P 5.0428 0.0000 0.0000 62.0311 32.6726 175.2045 85 V 4.3455 8.0497 110.7706 58.3887 35.3758 174.1720 86 P 4.0076 0.0000 0.0000 62.7905 31.8816 177.4025 87 E 2.0000 8.0220 121.1774 58.2442 29.1932 178.7127 88 E 4.0561 7.6839 115.7871 58.1301 29.9472 178.1620 89 W 4.5803 8.1616 120.0579 58.4536 29.3391 178.3291 90 W 4.2580 7.9880 119.7424 59.9861 28.4906 178.1420 91 Q 3.8786 8.0954 118.8242 58.8364 28.2294 177.7249 92 I 3.6531 7.7487 120.5245 64.4716 37.1612 178.2168 93 I 3.7322 7.9852 120.6142 64.5096 36.7251 178.6337 94 R 2.7366 7.4390 117.5606 58.8225 29.8196 178.1926 95 D 4.6170 7.8936 116.1715 55.3962 41.1821 176.7475 96 N 4.9934 7.5880 114.1654 52.6649 41.0546 175.4538 97 V 3.8370 7.8667 118.2764 60.7832 31.9097 174.4551 98 P 4.3744 0.0000 0.0000 62.1771 31.8635 176.1082 99 A 4.4829 8.4963 123.7007 52.0471 19.1733 177.0373 100 F 4.3238 8.6652 122.7432 58.5828 40.4190 174.9389 101 E 4.3488 7.9286 124.9845 54.1621 32.7698 174.4836 102 P 3.6753 0.0000 0.0000 65.8417 31.4353 177.1938 103 H 4.5211 7.7777 113.3054 56.9225 29.0949 175.5401 104 I 4.3187 7.2731 117.5417 62.7972 39.8039 176.2571 105 T 3.8856 7.6848 117.3905 62.9067 68.4288 172.5633 106 P 4.5174 0.0000 0.0000 62.3807 32.3388 176.2265 107 T 4.4307 8.6647 110.8333 61.2943 69.6994 174.1295 108 R 4.2912 8.3044 122.2247 55.4477 32.5067 174.2277 109 A 3.3262 8.5371 129.2146 52.8051 15.0582 176.4261 *111 G 3.7725 7.4142 108.9301 43.5328 0.0000 170.9900 112 K 4.0722 8.2918 118.9348 59.0837 31.9976 179.9683 113 V 3.5510 7.6808 118.3262 65.9329 31.4788 178.1112 114 V 3.6762 7.6985 117.4294 66.1232 31.2699 177.5130 115 E 3.9712 8.0186 117.1227 59.5934 29.4370 178.7510 116 C 4.2907 8.3049 118.5529 62.4421 31.7468 175.0266 117 F 4.0893 8.7735 122.8010 61.6150 38.7189 177.4637 118 R 3.8526 8.6828 114.4762 58.9836 29.2271 177.9273 119 T 4.2418 7.5065 107.8623 61.3771 69.9481 174.7369 120 Y 3.9738 7.3846 120.6922 57.6737 38.7216 175.4997 121 P 4.2378 0.0000 0.0000 65.7930 31.4553 178.0008 122 N 4.9657 8.1926 112.2588 53.0160 38.9759 174.6181 123 V 4.3020 7.5577 118.3710 62.5265 32.4458 175.6248 124 V 4.5995 8.8015 120.6940 59.5639 34.6435 174.5898 125 R 5.3164 8.4495 123.5654 54.4632 32.7237 175.3799 126 S 4.7001 8.8955 120.3753 58.1107 64.2299 173.5332 127 N 4.8077 8.6885 116.9530 53.9407 39.0071 174.4046 128 H 4.0018 7.7242 118.3370 55.9503 30.4744 173.9059 129 P 3.3499 0.0000 0.0000 64.0395 32.0436 176.6529 130 L 4.5917 7.8378 117.6876 54.4986 45.1641 177.4909 131 G 4.3814 7.7759 104.4061 45.4203 0.0000 173.2384 132 S 4.9007 7.8638 114.0188 58.0244 65.4225 173.6924 133 F 5.1757 9.3698 118.0662 55.7404 43.1518 173.9051 134 A 5.4495 8.8963 122.7315 50.4992 22.0231 175.3172 135 A 5.4911 9.3207 121.3106 50.3230 23.4307 175.0432 136 W 5.0249 9.8684 129.4498 56.8369 34.6709 173.7068 137 G 3.1343 8.0800 110.6632 43.8784 0.0000 173.4664 138 R 3.6679 8.1767 118.8678 59.4630 30.1334 179.0027 139 H 4.8977 8.4420 113.4081 55.4804 29.2543 176.3599 140 A 4.0362 7.6950 125.8137 55.5262 18.1342 180.5506 141 E 3.9652 8.0521 116.6777 59.4078 29.5208 179.1798 142 E 3.9994 8.0549 116.1319 59.5393 30.0840 178.7336 143 I 3.8112 8.1510 121.2082 63.6330 36.9534 177.6816 144 T 4.4447 7.4891 108.5550 61.1495 69.8053 175.5512 145 V 3.7315 7.3044 122.3466 62.6247 32.2499 175.6651 146 N 4.1383 8.7513 119.0932 54.2330 35.7293 174.6691 147 Q 4.3322 8.2973 118.0164 55.5068 29.9445 175.6554 148 S 4.3962 8.3451 119.7776 57.7020 64.3296 174.1985 149 L 3.6825 8.2929 124.0008 58.4174 41.9673 178.9259 150 S 5.0302 7.7427 116.0210 57.6263 60.5542 173.4480 *152 S 4.4558 8.0685 118.2717 57.4070 64.8054 175.5432 153 L 4.7592 8.1709 119.4632 54.3139 42.7184 177.3226 154 G 4.2167 7.6831 110.1558 45.4772 0.0000 176.2219 155 E 4.1059 8.8283 120.6477 58.2273 29.7948 177.1042 156 E 4.6269 8.0680 118.7156 55.9364 30.3689 175.4347 157 S 4.6769 7.6024 113.0380 55.4849 65.8265 172.8606 158 P 4.2177 0.0000 0.0000 65.1499 30.6842 178.7113 159 L 3.8254 7.2382 117.3129 57.7660 41.4455 179.5914 160 R 3.8945 7.7429 118.2202 59.2476 29.7973 178.7289 161 K 4.1166 7.8418 117.0542 59.1360 32.3682 179.0374 162 I 3.8356 7.7341 120.4836 64.3709 37.0426 177.5241 163 Y 4.1772 7.8794 121.7391 60.3802 38.3746 178.2117 164 D 4.5536 8.5663 118.3762 56.5562 40.9462 177.6442 165 L 4.3024 7.5334 117.5076 53.2493 42.5567 175.7030 166 D 4.0256 7.9075 117.8502 55.0885 40.1313 172.8653 167 G 4.0644 7.5024 105.6758 46.1423 0.0000 172.3847 168 Y 5.1342 9.1391 116.5282 56.0721 42.3367 175.1857 169 I 4.9683 8.3673 121.2393 59.5203 40.5502 174.1494 170 L 5.0602 8.9120 129.5353 53.2981 44.4427 174.7483 171 L 5.0803 8.9586 127.2128 53.0953 44.2934 175.5677 172 I 4.3401 8.7378 126.0238 59.6609 39.0280 176.0157 173 G 4.3389 8.6072 114.4476 45.7195 0.0000 172.4072 174 V 4.4610 7.5114 110.7295 59.2094 35.7228 175.2013 175 G 4.1573 8.0201 110.0300 44.2534 0.0000 173.8191 176 Y 4.1347 8.5693 115.4206 60.1545 38.0137 177.7113 177 D 4.5063 8.2342 118.3422 55.4282 39.6528 176.9357 178 S 4.4898 7.9176 115.0064 58.4612 63.3092 174.5114 179 N 4.4214 8.1229 121.8726 52.2099 37.4324 175.1600 180 T 3.9953 8.1404 121.4513 66.4567 68.7285 175.5216 181 S 4.1419 8.3287 116.4985 61.9812 62.8015 176.9175 182 V 3.4116 7.6670 120.0178 65.2942 30.9763 177.6461 183 A 4.3745 7.9842 120.9126 55.3347 18.0595 179.2851 184 L 3.9103 8.0055 118.7698 58.3486 41.9784 179.3842 185 S 4.3864 7.7903 116.0874 61.0211 62.6352 176.4898 186 E 3.3395 8.0815 120.7531 59.1855 29.4089 179.2914 187 V 3.5747 7.9860 118.2721 66.2302 31.4394 178.1337 188 R 4.1086 8.0450 115.6277 57.8546 30.0004 177.8798 189 S 4.6921 7.7945 112.7660 57.5423 63.8961 175.1286 190 G 3.7480 7.6268 109.8183 45.9098 0.0000 174.3337 191 A 4.1501 7.3791 120.2225 52.2031 18.8887 177.6323 192 C 4.9126 7.0216 113.2144 57.3177 31.9480 173.8990 193 E 4.1602 8.3696 120.4194 56.3524 29.7739 176.6943 194 L 4.6993 8.0859 121.2468 54.0972 43.0725 176.1298 195 I 4.6391 8.9522 115.4793 58.9133 41.5307 174.5105 196 K 4.6566 8.5594 122.8738 55.9416 32.6501 176.4834 197 V 4.3897 8.5161 118.5264 59.5349 35.6444 174.6293 198 G 4.0726 7.9253 106.7619 45.5016 0.0000 171.9123 199 A 4.0990 7.4689 120.0988 49.8307 23.4083 173.6806 200 P 5.1602 0.0000 0.0000 62.1517 33.2414 175.0936 201 I 5.0023 8.6298 116.1515 59.1653 41.9054 174.0558 202 I 4.6177 8.3627 123.5925 60.2657 37.9579 175.1522 203 E 4.5106 9.3966 128.8850 55.3658 31.5949 175.5105 204 N 4.1754 10.0176 124.5289 54.4203 36.3119 175.2885 205 G 3.9619 8.5359 103.8027 45.2171 0.0000 173.1537 206 E 4.7314 8.0288 121.2528 53.7549 32.6127 175.0486 207 R 4.5453 8.7044 127.3319 56.7708 30.9811 175.9207 208 V 4.5886 8.8902 118.7377 59.4394 36.4986 174.7914 209 W 4.8216 9.0013 134.6565 56.5004 30.4952 174.9341 210 K 4.4257 8.5614 129.4929 55.3766 33.3067 175.0774 211 E 5.0458 8.5068 125.6610 55.1499 32.3640 175.2493 212 F 4.8294 8.1411 116.2508 56.4986 41.7512 172.0046 213 V 4.8422 8.7830 118.0957 61.3836 34.3849 173.1830 214 D 4.7452 9.1044 125.8400 54.3729 42.9451 176.4564 *216 D 4.5446 8.9948 108.7816 53.8175 40.7392 172.4685 217 Y 4.2397 7.7008 117.7380 57.9124 38.6770 175.8622 218 D 4.7025 8.8114 123.0783 52.2477 42.0404 176.3884 219 S 2.0000 8.0258 121.5830 59.1063 63.4512 176.0470 220 D 4.2365 7.9415 121.5877 57.4815 40.9311 178.0246 221 K 3.9114 7.7448 117.8987 58.7409 31.9398 179.2582 222 F 4.3209 8.4041 119.1231 60.4191 38.7356 177.6447 223 V 3.6325 7.5129 117.8699 65.7420 31.3359 177.8055 224 E 3.8361 7.8785 118.6551 59.3239 29.6387 178.5554 225 I 2.9687 7.1790 119.9385 64.0057 36.9965 178.6758 226 G 2.3096 7.8035 106.7526 47.1222 0.0000 175.8641 227 V 3.4675 7.5838 120.8076 65.9087 31.3584 178.0863 228 E 4.0008 7.8964 117.7413 59.2814 29.2477 179.1122 229 F 3.1519 8.2164 121.1819 60.8435 39.0959 176.9519 230 E 3.8054 7.7312 117.1880 58.6463 29.3751 178.4788 231 Q 4.1914 7.4857 116.5541 57.1331 29.0656 176.5217 232 K 4.4383 7.3192 114.6839 55.0636 34.4982 175.6316 233 G 3.2479 7.6084 107.1314 43.2701 0.0000 172.4138 234 T 4.2645 7.8462 116.0686 62.1388 68.7577 175.0515 235 V 4.7238 7.8591 125.2758 60.7966 34.7537 174.7127 236 T 4.2747 8.8474 120.6722 62.4472 71.6517 172.6651 *238 G 4.2471 8.0661 106.6243 46.5475 0.0000 171.8693 239 K 5.6541 8.5183 118.1065 53.5350 35.8709 175.9255 240 I 4.4233 8.1080 123.2620 60.1775 39.0611 175.9047 241 G 3.8249 8.0956 118.3891 47.1609 0.0000 173.9896 242 N 4.5585 9.6444 122.4039 53.4584 38.9757 174.7147 243 A 4.2885 7.8881 122.4478 51.2779 20.2154 176.6204 244 K 4.6580 8.6236 123.9900 56.0394 33.3683 175.3263 245 C 5.4307 9.1813 125.1256 58.0202 31.8972 173.7501 246 R 4.9585 8.7453 119.3538 54.4313 33.7025 174.3122 247 L 5.7848 8.6186 123.9410 52.1640 46.0252 175.4341 *249 K 3.8707 8.3657 121.7043 55.8748 33.3452 176.8682 250 Q 3.9208 8.6313 124.4642 59.4791 28.8593 179.1255 251 R 3.7922 7.6069 118.5377 58.9807 30.0454 178.6177 252 D 4.4065 7.8703 118.3313 57.4954 40.9082 178.5264 253 I 2.8287 7.3863 118.9654 63.5118 37.9083 177.8309 254 V 3.7741 7.9503 120.8969 65.6779 31.3660 177.8560 255 D 4.4669 8.4743 118.5775 57.3014 40.6947 178.4956 256 F 4.2350 8.4843 121.4578 61.2956 39.4149 177.4816 257 G 3.6230 8.5108 105.7422 47.8701 0.0000 175.9302 258 T 4.0540 8.0624 118.0601 66.6478 68.3252 176.2448 259 E 3.8975 8.1649 121.1803 59.1039 29.5925 178.7889 260 W 3.8148 7.9287 128.2797 60.3870 30.5724 178.0148 261 F 4.4870 8.1418 116.8031 59.0383 39.6483 175.7686 262 R 4.5527 7.0655 112.6375 52.3792 28.8649 175.2732 263 K 4.4864 7.5689 124.8523 58.5953 32.0448 174.5019 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 8.42 4.72 0.00 2.72 2.96 0.00 0.00 6.91 6.46 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 A 7.92 4.02 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 N 9.63 3.78 0.00 2.95 3.38 0.00 0.00 6.00 8.07 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 3 D 7.92 4.37 0.00 2.88 2.77 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 4 I 7.53 3.74 1.99 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.51 1.08 0.00 0.00 5 V 7.83 3.72 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 0.85 0.00 0.00 0.62 0.00 0.00 6 A 7.92 4.07 1.35 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 0.00 0.00 7 S 7.69 4.50 0.00 4.09 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 8 T 7.31 4.64 4.43 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 9 Q 8.86 4.14 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 10 L 7.40 4.94 0.00 1.60 1.55 0.94 1.02 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 11 P 0.00 4.76 0.00 2.13 2.52 0.00 3.75 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.27 0.00 12 N 9.24 4.77 0.00 2.67 2.68 0.00 0.00 6.34 7.39 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 13 T 8.91 4.86 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 1.24 0.00 0.00 14 I 8.55 3.62 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 1.78 0.60 0.88 0.00 0.00 15 K 7.98 3.95 0.00 1.79 1.85 0.00 1.66 0.00 0.00 1.87 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.50 7.81 16 T 7.98 3.97 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 17 I 8.20 3.67 1.89 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.62 0.85 0.00 0.00 18 T 8.10 3.79 4.37 0.00 0.00 0.00 0.00 0.00 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 19 N 8.12 4.24 0.00 2.88 2.97 0.00 0.00 7.29 7.81 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 20 D 8.09 4.33 0.00 2.88 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 21 L 8.19 3.98 0.00 1.79 1.65 0.85 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 22 R 8.07 4.04 0.00 2.01 1.95 0.00 3.11 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.84 0.00 23 K 8.02 3.95 0.00 1.69 1.86 0.00 1.70 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.43 7.81 24 L 7.61 4.11 0.00 1.80 1.83 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.51 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 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0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 S 8.51 5.04 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 37 S 8.40 4.51 0.00 3.86 3.76 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 38 L 8.72 4.06 0.00 1.75 1.61 0.84 0.86 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 39 S 8.07 4.16 0.00 4.10 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 40 S 7.95 4.22 0.00 4.01 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 0.00 41 I 7.52 3.91 2.00 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 1.55 0.60 0.87 0.00 0.00 42 G 7.73 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 43 W 9.31 4.11 0.00 3.41 3.26 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 0.00 0.00 0.00 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 0.00 181 S 8.33 4.14 0.00 4.04 3.93 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 0.00 182 V 7.67 3.41 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 0.00 0.00 0.39 0.00 0.00 0.68 0.00 0.00 183 A 7.98 4.37 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 0.00 184 L 8.01 3.91 0.00 1.75 1.80 0.89 0.70 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 0.00 185 S 7.79 4.39 0.00 4.26 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 0.00 186 E 8.08 3.34 0.00 2.31 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 2.12 2.72 0.00 187 V 7.99 3.57 2.25 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 1.04 0.00 0.00 1.19 0.00 0.00 188 R 8.04 4.11 0.00 1.89 1.95 0.00 3.06 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 189 S 7.79 4.69 0.00 4.08 4.17 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 0.00 0.00 0.00 190 G 7.63 3.75 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 0.00 0.00 0.00 191 A 7.38 4.15 0.78 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 0.00 0.00 192 C 7.02 4.91 0.00 2.92 2.68 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 0.00 0.00 0.00 0.00 193 E 8.37 4.16 0.00 1.89 1.82 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 2.28 2.30 0.00 194 L 8.09 4.70 0.00 1.48 1.54 0.89 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 195 I 8.95 4.64 1.79 0.00 0.00 0.72 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 0.77 0.81 0.00 0.00 196 K 8.56 4.66 0.00 1.64 1.77 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.39 1.44 7.81 197 V 8.52 4.39 1.70 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 0.67 0.00 0.00 0.15 0.00 0.00 198 G 7.93 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 0.00 199 A 7.47 4.10 1.15 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 0.00 0.00 200 P 0.00 5.16 0.00 2.29 2.52 0.00 3.67 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.27 0.00 201 I 8.63 5.00 1.88 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.68 0.82 0.00 0.00 202 I 8.36 4.62 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.87 0.93 0.00 0.00 203 E 9.40 4.51 0.00 1.91 1.78 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 2.19 2.23 0.00 204 N 10.02 4.18 0.00 2.86 2.85 0.00 0.00 7.24 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 0.00 205 G 8.54 3.96 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 0.00 0.00 0.00 206 E 8.03 4.73 0.00 2.08 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 2.21 2.29 0.00 207 R 8.70 4.55 0.00 1.92 1.88 0.00 3.31 0.00 0.00 3.31 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.75 0.00 208 V 8.89 4.59 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 0.76 0.00 0.00 0.99 0.00 0.00 209 W 9.00 4.82 0.00 3.49 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 0.00 210 K 8.56 4.43 0.00 1.85 1.57 0.00 1.54 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.38 1.50 7.81 211 E 8.51 5.05 0.00 1.89 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 0.00 2.28 2.36 0.00 212 F 8.14 4.83 0.00 3.05 3.06 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 0.00 213 V 8.78 4.84 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 0.95 0.00 0.00 0.94 0.00 0.00 214 D 9.10 4.75 0.00 2.85 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *216 D 8.99 4.54 0.00 2.62 2.53 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 0.00 217 Y 7.70 4.24 0.00 3.00 3.07 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 0.00 218 D 8.81 4.70 0.00 2.76 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 219 S 8.03 2.00 0.00 3.73 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 0.00 220 D 7.94 4.24 0.00 2.75 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 0.00 221 K 7.74 3.91 0.00 2.15 2.03 0.00 2.15 0.00 0.00 2.16 0.00 0.00 3.21 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.82 1.68 7.81 222 F 8.40 4.32 0.00 3.16 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 0.00 223 V 7.51 3.63 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 1.02 0.00 0.00 0.99 0.00 0.00 224 E 7.88 3.84 0.00 2.10 1.68 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 0.00 2.48 2.47 0.00 225 I 7.18 2.97 1.55 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.26 -0.36 0.65 0.00 0.00 226 G 7.80 2.31 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 0.00 227 V 7.58 3.47 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 1.01 0.00 0.00 0.93 0.00 0.00 228 E 7.90 4.00 0.00 2.21 2.38 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 2.51 2.44 0.00 229 F 8.22 3.15 0.00 2.42 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 0.00 230 E 7.73 3.81 0.00 2.02 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 2.35 2.39 0.00 231 Q 7.49 4.19 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.73 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 232 K 7.32 4.44 0.00 1.68 1.83 0.00 2.08 0.00 0.00 1.89 0.00 0.00 3.10 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.40 1.50 7.81 233 G 7.61 3.25 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 0.00 234 T 7.85 4.26 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 1.20 0.00 0.00 235 V 7.86 4.72 2.29 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 0.61 0.00 0.00 1.08 0.00 0.00 236 T 8.85 4.27 4.27 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 1.25 0.00 0.00 *238 G 8.07 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 0.00 239 K 8.52 5.65 0.00 1.69 1.66 0.00 1.95 0.00 0.00 2.36 0.00 0.00 2.94 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.32 1.32 7.81 240 I 8.11 4.42 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.97 0.87 0.00 0.00 241 G 8.10 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 0.00 242 N 9.64 4.56 0.00 2.87 2.88 0.00 0.00 6.90 7.28 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 0.00 243 A 7.89 4.29 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 0.00 244 K 8.62 4.66 0.00 1.82 1.69 0.00 1.68 0.00 0.00 1.81 0.00 0.00 2.82 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.42 7.81 245 C 9.18 5.43 0.00 2.77 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 0.00 246 R 8.75 4.96 0.00 1.61 1.75 0.00 2.96 0.00 0.00 2.89 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 247 L 8.62 5.78 0.00 1.73 1.49 0.95 0.58 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 *249 K 8.37 3.87 0.00 1.85 1.46 0.00 0.61 0.00 0.00 1.18 0.00 0.00 2.61 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.17 1.21 7.81 250 Q 8.63 3.92 0.00 2.15 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 251 R 7.61 3.79 0.00 1.61 1.65 0.00 2.93 0.00 0.00 2.74 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.07 0.00 252 D 7.87 4.41 0.00 2.98 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 0.00 253 I 7.39 2.83 1.22 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.21 0.87 0.00 0.00 254 V 7.95 3.77 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 1.35 0.00 0.00 1.04 0.00 0.00 255 D 8.47 4.47 0.00 2.94 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 0.00 256 F 8.48 4.23 0.00 3.50 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 0.00 257 G 8.51 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 0.00 258 T 8.06 4.05 4.44 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 1.26 0.00 0.00 259 E 8.16 3.90 0.00 2.05 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 2.22 2.23 0.00 260 W 7.93 3.81 0.00 3.04 2.95 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 0.00 261 F 8.14 4.49 0.00 3.43 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 0.00 262 R 7.07 4.55 0.00 1.90 1.93 0.00 3.11 0.00 0.00 3.19 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.52 0.00 263 K 7.57 4.49 0.00 1.56 1.52 0.00 1.41 0.00 0.00 2.26 0.00 0.00 2.67 0.00 0.00 2.17 0.00 0.00 0.00 0.00 1.14 1.18 7.81 * Residues marked with a * may have inaccurate shift predictions.