NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.9929 8.5081 117.6117 53.3164 38.5947 174.3757 2 D 4.6473 8.4453 118.2210 53.1284 39.8949 174.6546 3 D 4.5520 9.0463 121.0831 55.7501 42.8047 177.1082 4 K 4.9103 8.5311 119.7377 54.6178 35.7545 175.0234 5 L 4.9931 8.7363 121.8918 53.1842 46.3088 174.9485 6 Y 5.3501 8.9108 116.5017 56.5981 42.4908 174.8966 7 R 4.9323 9.3042 123.0519 54.5644 33.6518 173.8136 8 A 4.9250 8.9261 128.9329 52.1336 19.4446 176.1084 9 D 4.8317 9.6982 122.3631 53.1805 44.8124 176.2772 10 S 4.5654 9.0248 120.0119 59.8823 63.6921 174.3419 11 R 4.2160 8.0624 121.7705 55.1364 30.4764 175.3718 12 P 4.0248 0.0000 0.0000 61.4296 33.6995 175.4723 13 P 3.5726 0.0000 0.0000 65.7112 30.9993 178.6492 14 D 4.3069 7.7801 117.0361 57.3077 40.6391 178.3708 15 E 3.8962 7.9093 119.3604 59.0659 29.7495 178.7105 16 I 3.6519 7.4482 120.0011 64.0578 37.1295 177.9808 17 K 3.0807 8.2728 123.2705 60.2884 31.7539 179.3725 18 Q 3.9721 7.6417 119.4285 60.2087 28.0861 180.3298 19 S 4.5718 8.1294 114.5498 59.0201 63.2728 175.4375 20 G 3.8399 7.3932 110.4472 44.4064 0.0000 174.4845 21 G 3.9911 6.6804 106.1691 44.5170 0.0000 172.5499 22 L 4.2906 8.2153 123.2150 53.8107 41.8182 175.8770 23 M 4.7940 8.1228 123.2644 52.6461 34.1770 174.5999 24 P 4.4173 0.0000 0.0000 63.2071 31.9843 178.2419 25 R 3.1214 7.9368 120.5409 58.8218 31.2315 175.7103 *37 M 4.1539 7.6050 115.6544 54.9605 33.1320 174.5055 38 N 4.5948 8.6060 124.7991 53.3841 39.8123 173.4984 39 I 4.6855 8.9737 126.6925 59.7823 38.9060 175.2112 40 N 4.7985 9.2943 125.6180 51.2617 41.3287 174.6997 41 L 3.2146 8.2763 126.5352 58.2062 42.2542 177.7332 42 Y 4.1489 7.8984 119.6472 61.3305 38.3785 178.2035 43 D 4.1844 9.1000 118.7171 57.4179 40.9503 178.0448 44 H 4.2609 8.1458 118.1220 59.2959 29.9736 176.9974 45 A 3.9995 7.8620 121.2957 54.2718 18.8259 178.3547 46 R 4.0902 7.3162 116.7255 55.1189 30.0353 177.2345 *53 V 3.6496 7.2185 116.8845 62.8521 32.8739 173.9687 54 R 3.8348 8.0873 126.0317 56.6226 29.2041 175.9549 55 H 5.7617 8.5670 117.1301 54.8275 29.5881 173.0843 56 D 4.9437 8.2809 119.8005 54.5824 42.2480 175.3988 57 D 4.2683 9.0753 116.1814 54.6748 38.3514 175.8428 58 G 3.9779 8.6691 106.3834 45.2471 0.0000 172.8388 59 Y 5.2179 7.6370 115.2211 55.9437 42.4186 174.5572 60 V 4.7600 8.4940 120.8861 61.3108 34.2801 175.0945 61 S 5.0209 8.9736 124.5498 58.6319 64.0637 173.5274 62 T 5.0013 8.6738 111.4779 60.5180 72.8069 172.6150 63 S 5.2605 9.5075 118.2899 56.6600 66.4825 174.9741 64 I 4.4259 8.4552 114.1383 61.1654 38.0722 176.0850 65 S 4.4792 7.5600 115.0785 56.0172 66.5830 174.7165 66 L 3.2595 7.4580 127.5190 58.9554 41.9773 180.2314 67 R 3.8690 7.6898 119.8942 61.3887 29.2943 180.4940 68 S 4.2799 8.1093 115.4993 61.6054 62.9302 176.7243 69 A 4.0627 7.9675 123.2584 55.4407 18.1471 178.8984 70 H 4.1641 8.5384 117.0172 59.6064 29.7622 177.4857 71 L 3.9702 7.9222 120.2852 57.7601 41.5208 179.2854 72 V 3.6720 7.9594 118.4143 66.3665 31.3983 178.3799 73 G 3.3814 8.3173 104.8751 47.4600 0.0000 175.7956 74 Q 4.1733 7.9965 120.0775 58.6445 28.7584 177.9720 75 T 4.2763 7.5473 109.0598 63.3880 69.6837 176.5410 76 I 4.0598 7.6590 121.3465 62.3498 37.8358 176.6004 77 L 4.2314 7.4028 119.7964 54.8100 41.6924 176.8898 *78 S 4.5575 7.8758 115.9347 60.7563 61.0187 177.5648 79 G 4.4297 8.1304 126.5087 45.5418 0.0000 170.8177 80 H 4.6583 8.0712 121.2032 54.9330 29.3252 175.4459 *81 S 4.3647 8.6956 124.0763 61.6740 63.1411 171.3232 82 T 4.8465 7.5821 114.9463 62.0119 72.0581 173.2039 83 Y 4.9633 8.0364 123.4936 55.9586 42.1224 173.3021 84 Y 4.9875 9.0611 114.6975 56.6490 42.8798 175.0232 85 I 5.1082 8.7128 123.0840 60.0387 39.7365 174.3932 86 Y 5.0693 9.2461 126.1484 57.3288 39.7823 174.9007 87 V 4.6747 9.1934 123.8762 61.3931 33.8458 174.5834 88 I 5.1077 8.5951 127.6774 59.4299 41.1708 175.0025 89 A 4.8033 8.8030 128.5306 51.5532 19.6583 177.0545 90 T 4.3690 7.8513 109.0985 61.6231 70.2584 173.9284 91 A 4.7032 7.9672 123.3586 51.2396 22.8819 175.0413 92 P 4.3398 0.0000 0.0000 63.5655 31.0075 176.9717 93 N 4.6372 7.6488 115.3382 53.1713 38.5356 173.9989 94 M 5.2246 7.6859 119.7436 53.7967 35.3555 174.7672 95 F 5.0606 9.0204 120.4885 55.4341 43.4361 174.1495 96 N 4.7425 8.8927 121.6763 53.1361 38.7815 175.5139 97 V 3.6482 8.6344 127.0413 66.2802 31.7737 177.6711 98 N 4.4858 8.2782 115.6594 56.3283 38.1640 176.9698 99 D 4.5047 8.0333 119.4734 56.9571 41.0230 178.6709 100 V 4.0412 7.6918 117.8904 66.0893 31.8972 177.8801 101 L 4.5748 8.7306 118.9401 55.5043 42.1289 178.1908 102 G 4.0983 9.0594 107.5316 46.3449 0.0000 177.1217 103 A 3.8984 8.7433 125.9641 54.6577 18.2409 177.8233 104 Y 4.5045 7.1196 111.7234 57.8652 38.1475 175.3996 105 S 4.2502 7.9241 115.8977 58.0157 62.3935 172.3262 106 P 4.4610 0.0000 0.0000 65.3634 32.2064 176.4096 107 H 4.8677 7.8145 115.0845 53.4732 28.5441 171.9447 108 P 5.0946 0.0000 0.0000 64.4023 32.3084 179.7606 *109 D 4.4982 8.0100 117.4995 55.8912 39.9292 182.9001 110 E 4.0393 8.1319 118.3088 58.5356 29.8674 177.3413 *111 Q 3.3810 7.3622 115.6670 55.7107 26.1282 178.5693 112 E 4.7031 7.7722 119.8783 55.8134 32.3333 175.4713 113 V 4.8683 8.4853 125.2955 61.3395 34.3172 174.2055 114 S 5.3537 9.3159 124.0942 56.7549 66.1679 172.9612 115 A 5.0098 9.0158 126.3037 50.3025 20.6129 175.8420 116 L 3.4426 8.8894 126.8384 55.4890 42.3717 177.3655 117 G 3.7096 9.1387 115.3256 45.3516 0.0000 173.7094 118 G 3.7013 7.9065 106.0826 44.3310 0.0000 172.5531 119 I 4.3388 8.1075 120.1116 58.5757 38.3276 173.9104 120 P 4.8183 0.0000 0.0000 62.5606 32.1905 176.9465 121 Y 4.3308 8.9035 123.2975 61.0156 39.0118 179.1755 122 S 4.8043 8.2165 112.9702 60.6555 63.4861 175.5094 123 Q 2.8278 8.0299 121.0194 57.0453 28.9574 175.0911 124 I 4.5556 7.3098 119.1527 60.7868 37.3692 175.1109 125 Y 3.0804 8.8676 128.4069 59.3202 39.0146 175.2819 126 G 3.4992 7.3147 104.1333 46.2071 0.0000 171.6609 127 W 5.7287 7.1662 115.2198 55.4120 31.8022 173.5197 128 Y 4.9858 9.2631 120.1213 56.6863 40.1160 174.6001 129 R 4.1462 8.6141 123.0285 55.2901 32.2343 174.8239 130 V 4.4505 8.0043 128.7517 61.8950 33.7954 174.4643 *131 H 4.8771 8.4436 126.3530 53.6127 31.3069 170.5540 132 F 3.6724 9.4180 123.7351 57.4101 37.0931 176.7548 133 G 3.9787 8.5596 109.3763 45.1326 0.0000 174.3030 134 V 3.9770 7.5710 120.1959 60.9121 31.5479 174.9230 135 L 4.2444 8.3590 130.1068 54.9837 43.4539 176.2211 136 D 4.6570 8.1079 125.1150 55.4896 40.4897 180.6796 *138 Q 4.1349 8.4985 119.8344 55.7762 28.5091 172.5175 139 L 3.9042 7.8432 125.7213 54.7027 43.9350 176.1068 *140 H 4.4997 8.2495 125.2772 53.3094 29.5541 171.7565 141 R 3.7970 7.9471 123.8034 54.7901 30.8540 175.9427 142 N 4.2607 8.0843 123.1458 52.7007 39.4973 176.1609 143 R 3.9337 8.8755 126.7429 59.1330 30.7463 177.5178 144 G 3.7579 8.2337 105.7392 47.0905 0.0000 172.8579 145 Y 5.2293 7.5422 121.5982 57.2038 39.5310 175.0899 146 R 4.2584 7.5826 123.5492 53.6984 32.3783 175.7756 147 D 4.2010 8.2675 124.1629 56.8044 41.2423 178.0807 148 R 3.9013 7.8159 116.6791 59.2917 30.2684 177.9330 149 Y 4.0536 7.8041 118.7091 61.1621 38.9896 177.8041 150 Y 4.0390 7.8922 117.2461 60.7504 37.9032 178.2485 151 S 4.6249 8.4838 117.6506 59.9850 62.6838 174.8441 152 N 4.8322 7.4180 118.3647 52.4757 38.9329 174.0342 153 L 4.7835 6.9374 117.2859 53.1318 45.1478 174.8076 154 D 5.0081 8.0175 118.9387 52.1537 45.7889 174.8186 155 I 4.0697 8.4007 119.5845 61.6322 37.7519 176.3602 156 A 4.1527 7.9921 127.2133 51.0846 18.8271 176.2324 157 P 4.3002 0.0000 0.0000 62.3511 32.2953 177.4924 158 A 3.9682 8.4585 121.2424 54.9976 18.0125 179.8209 159 A 3.5277 7.5563 117.7643 54.4999 18.5389 178.6704 160 D 4.7180 8.0997 116.6056 56.1134 41.3321 177.9799 161 G 3.3527 8.2240 106.1178 45.8806 0.0000 175.2273 162 Y 4.7749 7.7357 118.8666 61.6147 37.6534 178.9108 163 G 4.0573 8.3405 103.8477 46.1381 0.0000 173.9573 164 L 4.5968 8.0270 120.3103 54.3192 42.3372 177.8740 165 A 3.7502 8.0502 124.7087 54.6253 18.1566 180.2946 166 G 4.1291 8.4390 100.9977 46.1497 0.0000 173.6773 167 F 3.9589 7.2266 116.8768 56.0714 39.4593 173.7369 168 P 4.5948 0.0000 0.0000 62.0128 31.8558 175.8033 169 P 4.4595 0.0000 0.0000 65.5950 31.1473 178.0387 170 E 4.1669 8.1157 115.5118 57.8753 30.4708 176.3894 171 H 3.8082 7.9810 122.3809 56.8247 30.1753 176.6005 *172 R 3.9558 8.5928 124.1553 58.9927 29.6810 176.2025 173 A 3.2967 6.3887 118.7875 55.1271 18.3051 179.5486 174 W 4.7250 7.2856 115.0432 59.1084 29.2095 177.7778 175 R 4.6552 7.6767 116.0219 55.6522 29.9454 175.4790 176 E 4.8932 8.2150 117.8137 54.2083 33.1254 175.1783 177 E 4.2458 8.6110 120.6553 55.7968 30.3571 176.0919 178 P 4.1644 0.0000 0.0000 63.6921 31.8593 178.1384 179 W 4.5605 7.5117 121.2796 60.2262 28.6971 178.3012 180 I 4.5375 7.9222 121.4421 64.6705 34.9192 181.7333 181 H 5.0407 7.9550 113.8409 56.3705 28.6687 175.4341 182 H 4.8725 8.2540 117.0008 54.9548 30.0381 172.8402 183 A 3.7600 8.2201 123.4134 51.3963 18.5718 176.5296 184 P 4.2626 0.0000 0.0000 61.6793 32.1047 174.2483 185 P 4.3137 0.0000 0.0000 64.5936 31.5959 176.8897 186 G 3.9994 8.8319 110.3908 45.5953 0.0000 174.2534 187 C 4.2642 7.6561 117.1323 57.0126 40.8587 173.7520 188 G 3.8319 8.2882 111.0145 47.0238 0.0000 174.4029 *198 T 4.2237 7.5692 113.3166 61.2698 69.2924 176.0342 199 C 4.2758 8.2866 120.4898 60.7713 43.5781 175.0189 200 D 4.3566 8.2461 122.1955 57.7555 40.4124 178.9738 *201 E 3.9785 8.1114 118.5161 61.2414 29.7594 181.7508 202 K 4.2005 8.4432 121.3551 59.3464 32.3468 178.9466 203 T 3.8983 8.2761 116.6018 66.6216 68.3022 176.2294 204 Q 3.9714 8.1725 121.4762 59.3803 29.2039 178.5836 205 S 4.1661 8.1508 115.0696 61.2192 63.0007 176.3435 206 L 4.1846 8.2065 123.1514 57.5200 41.2792 179.5515 207 G 3.6130 8.0870 105.4485 47.6024 0.0000 176.0191 208 V 3.6188 8.0805 120.8603 65.6558 31.5447 177.9978 209 K 3.9406 8.2806 119.4283 59.4483 31.9506 178.5124 210 F 4.0428 8.3813 120.8921 61.3094 39.3150 176.8538 211 L 4.1979 8.5214 120.2641 58.1789 41.9748 178.4378 212 D 4.3177 8.4962 118.2510 57.4976 40.7212 178.1311 213 E 3.9359 8.3484 119.1862 59.3436 29.4210 178.7724 214 Y 3.7746 8.2097 119.8883 60.8558 38.8641 178.0695 215 Q 3.9614 8.4025 119.1556 58.9805 28.7486 178.8514 216 S 3.9905 7.9061 113.9471 61.1649 62.4026 176.4613 217 K 3.8350 7.4625 120.2690 59.2944 31.7140 179.5640 218 V 3.3195 7.1752 118.3611 65.5951 31.3657 178.2306 219 K 3.1359 8.0712 118.9573 59.2355 32.4067 179.1536 220 R 3.7355 7.6291 120.1384 59.2493 29.8200 178.3189 221 Q 3.5421 7.3962 118.9408 59.1804 29.0323 178.1980 222 I 3.4279 7.2552 120.8281 64.3123 36.8965 178.4911 223 F 4.3190 7.5670 117.1833 59.9995 39.0066 177.9261 224 S 4.3808 8.0614 115.4492 61.4443 62.7595 176.5851 225 G 3.7792 7.7777 108.2570 48.2803 0.0000 175.0625 226 Y 4.5873 8.0894 117.0881 59.5422 38.0638 176.8635 227 Q 4.8512 8.3349 118.1172 54.8061 29.5803 176.4311 228 S 4.7018 8.0093 111.2514 58.4667 63.4569 174.5987 229 D 4.5567 7.8694 121.8507 55.1394 40.0635 176.7017 230 I 3.6927 7.1161 119.8494 61.5758 37.3753 175.3420 231 D 4.5994 8.3075 123.2503 52.5413 42.6533 174.7997 232 T 4.0199 8.5309 124.1788 66.7937 68.8555 176.6672 233 H 4.2487 8.3404 119.8251 58.9955 30.0046 175.9880 234 N 4.4967 8.1302 118.3145 55.6582 37.4708 175.7663 *235 R 4.2008 7.5060 120.8370 56.5752 30.6151 179.7779 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 8.51 4.99 0.00 2.96 3.06 0.00 0.00 5.81 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 2 D 8.45 4.65 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 3 D 9.05 4.55 0.00 2.76 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 4 K 8.53 4.91 0.00 1.37 1.18 0.00 1.35 0.00 0.00 1.50 0.00 0.00 2.13 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.23 1.00 7.81 5 L 8.74 4.99 0.00 1.43 1.63 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 6 Y 8.91 5.35 0.00 3.12 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 7 R 9.30 4.93 0.00 2.05 1.89 0.00 3.39 0.00 0.00 3.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 8 A 8.93 4.93 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 9 D 9.70 4.83 0.00 2.92 2.88 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 10 S 9.02 4.57 0.00 4.23 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 11 R 8.06 4.22 0.00 2.02 1.91 0.00 3.27 0.00 0.00 3.31 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.62 0.00 12 P 0.00 4.02 0.00 2.12 2.24 0.00 3.93 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 13 P 0.00 3.57 0.00 1.70 0.49 0.00 2.97 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 1.49 0.46 0.00 14 D 7.78 4.31 0.00 2.61 2.66 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 0.00 0.00 0.00 0.00 15 E 7.91 3.90 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 16 I 7.45 3.65 1.71 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 0.68 0.11 0.85 0.00 0.00 17 K 8.27 3.08 0.00 1.69 1.72 0.00 1.46 0.00 0.00 1.29 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.66 1.47 7.81 18 Q 7.64 3.97 0.00 2.21 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.74 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 19 S 8.13 4.57 0.00 3.93 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 G 7.39 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 21 G 6.68 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.22 4.29 0.00 1.63 1.56 0.75 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 23 M 8.12 4.79 0.00 1.96 1.93 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.45 0.00 24 P 0.00 4.42 0.00 2.00 2.04 0.00 3.67 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.03 0.00 25 R 7.94 3.12 0.00 1.74 1.85 0.00 3.40 0.00 0.00 3.17 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 *37 M 7.61 4.15 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.52 0.00 38 N 8.61 4.59 0.00 2.82 2.70 0.00 0.00 6.97 7.82 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 39 I 8.97 4.69 1.87 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 1.07 0.91 0.74 0.00 0.00 40 N 9.29 4.80 0.00 2.73 2.70 0.00 0.00 6.48 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 41 L 8.28 3.21 0.00 1.29 1.54 0.07 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 42 Y 7.90 4.15 0.00 2.68 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 8.06 6.96 0.00 0.00 0.00 0.00 0.00 2.19 1.67 0.00 124 I 7.31 4.56 2.06 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 1.21 0.85 1.31 0.00 0.00 125 Y 8.87 3.08 0.00 2.33 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 0.00 126 G 7.31 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.17 5.73 0.00 3.08 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 Y 9.26 4.99 0.00 2.96 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 0.00 129 R 8.61 4.15 0.00 1.96 1.84 0.00 2.94 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.33 0.00 130 V 8.00 4.45 0.67 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 0.29 0.00 0.00 0.45 0.00 0.00 *131 H 8.44 4.88 0.00 2.61 2.88 0.00 7.41 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 0.00 132 F 9.42 3.67 0.00 3.16 3.10 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 0.00 133 G 8.56 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 V 7.57 3.98 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 0.92 0.00 0.00 0.96 0.00 0.00 135 L 8.36 4.24 0.00 1.44 1.49 0.62 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 136 D 8.11 4.66 0.00 2.86 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 0.00 0.00 0.00 *138 Q 8.50 4.13 0.00 2.10 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.84 0.00 0.00 0.00 0.00 0.00 2.18 1.93 0.00 139 L 7.84 3.90 0.00 0.93 1.42 0.31 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 *140 H 8.25 4.50 0.00 2.63 2.94 0.00 7.26 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 R 7.95 3.80 0.00 1.37 1.46 0.00 2.45 0.00 0.00 2.86 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.31 0.00 142 N 8.08 4.26 0.00 2.45 2.63 0.00 0.00 6.60 7.59 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 0.00 143 R 8.88 3.93 0.00 1.82 2.04 0.00 3.37 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.79 0.00 144 G 8.23 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 0.00 0.00 0.00 145 Y 7.54 5.23 0.00 3.05 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 0.00 146 R 7.58 4.26 0.00 1.73 1.67 0.00 3.28 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.37 0.00 147 D 8.27 4.20 0.00 2.99 2.72 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 0.00 148 R 7.82 3.90 0.00 1.81 1.97 0.00 3.27 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 1.64 1.69 0.00 149 Y 7.80 4.05 0.00 2.79 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 0.00 150 Y 7.89 4.04 0.00 3.24 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 0.00 151 S 8.48 4.62 0.00 4.00 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 0.00 152 N 7.42 4.83 0.00 2.71 2.75 0.00 0.00 6.96 7.67 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 0.00 153 L 6.94 4.78 0.00 1.77 1.47 0.38 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 154 D 8.02 5.01 0.00 2.51 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.40 4.07 1.83 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 1.25 0.25 0.85 0.00 0.00 156 A 7.99 4.15 0.70 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 0.00 0.00 157 P 0.00 4.30 0.00 2.21 2.18 0.00 3.81 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 2.19 1.97 0.00 158 A 8.46 3.97 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 A 7.56 3.53 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 D 8.10 4.72 0.00 3.13 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 0.00 161 G 8.22 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 0.00 0.00 0.00 162 Y 7.74 4.77 0.00 2.85 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 0.00 163 G 8.34 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 0.00 164 L 8.03 4.60 0.00 1.50 1.58 0.45 0.65 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 0.00 165 A 8.05 3.75 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 G 8.44 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 167 F 7.23 3.96 0.00 2.00 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 0.00 0.00 0.00 168 P 0.00 4.59 0.00 2.23 2.10 0.00 3.60 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.25 0.00 169 P 0.00 4.46 0.00 2.25 2.35 0.00 3.78 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.01 0.00 170 E 8.12 4.17 0.00 2.09 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 2.22 2.22 0.00 171 H 7.98 3.81 0.00 2.84 2.71 0.00 5.61 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *172 R 8.59 3.96 0.00 1.77 1.95 0.00 3.31 0.00 0.00 3.34 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.22 0.00 173 A 6.39 3.30 -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 0.00 174 W 7.29 4.72 0.00 3.26 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 0.00 175 R 7.68 4.66 0.00 1.74 1.96 0.00 3.12 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 176 E 8.21 4.89 0.00 2.29 2.01 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 2.27 2.34 0.00 177 E 8.61 4.25 0.00 1.88 1.69 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 2.24 2.21 0.00 178 P 0.00 4.16 0.00 1.26 1.60 0.00 2.20 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 179 W 7.51 4.56 0.00 3.74 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 I 7.92 4.54 1.87 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 1.53 1.76 0.91 0.00 0.00 181 H 7.96 5.04 0.00 3.10 3.32 0.00 5.56 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 H 8.25 4.87 0.00 3.52 3.49 0.00 5.82 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 A 8.22 3.76 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 0.00 184 P 0.00 4.26 0.00 1.91 1.85 0.00 2.20 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.09 0.00 185 P 0.00 4.31 0.00 1.98 1.97 0.00 3.64 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 186 G 8.83 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 0.00 0.00 0.00 187 C 7.66 4.26 0.00 2.18 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 G 8.29 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 *198 T 7.57 4.22 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 199 C 8.29 4.28 0.00 3.04 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 0.00 200 D 8.25 4.36 0.00 2.76 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 *201 E 8.11 3.98 0.00 1.97 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 2.32 1.95 0.00 202 K 8.44 4.20 0.00 2.01 1.77 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.43 1.35 7.81 203 T 8.28 3.90 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 1.28 0.00 0.00 204 Q 8.17 3.97 0.00 2.29 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 205 S 8.15 4.17 0.00 4.13 4.13 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 0.00 0.00 0.00 206 L 8.21 4.18 0.00 1.82 1.82 0.97 0.65 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 0.00 207 G 8.09 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 208 V 8.08 3.62 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 1.10 0.00 0.00 1.02 0.00 0.00 209 K 8.28 3.94 0.00 2.02 2.04 0.00 1.73 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.49 7.81 210 F 8.38 4.04 0.00 3.34 3.20 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 0.00 211 L 8.52 4.20 0.00 1.98 1.94 1.14 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 212 D 8.50 4.32 0.00 2.90 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 0.00 213 E 8.35 3.94 0.00 1.94 1.89 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 2.31 2.59 0.00 214 Y 8.21 3.77 0.00 2.92 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 0.00 215 Q 8.40 3.96 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.57 0.00 0.00 0.00 0.00 0.00 2.49 2.66 0.00 216 S 7.91 3.99 0.00 3.87 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 0.00 217 K 7.46 3.83 0.00 1.66 1.69 0.00 1.67 0.00 0.00 1.40 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.43 7.81 218 V 7.18 3.32 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 1.05 0.00 0.00 0.68 0.00 0.00 219 K 8.07 3.14 0.00 1.53 1.26 0.00 1.24 0.00 0.00 1.51 0.00 0.00 2.97 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.48 1.34 7.81 220 R 7.63 3.74 0.00 1.90 2.02 0.00 3.03 0.00 0.00 3.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 221 Q 7.40 3.54 0.00 1.39 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.59 0.00 0.00 0.00 0.00 0.00 1.16 1.70 0.00 222 I 7.26 3.43 1.21 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 1.34 0.81 0.47 0.00 0.00 223 F 7.57 4.32 0.00 2.98 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 0.00 224 S 8.06 4.38 0.00 3.85 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 0.00 225 G 7.78 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 0.00 0.00 0.00 226 Y 8.09 4.59 0.00 3.11 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 0.00 227 Q 8.33 4.85 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.90 0.00 0.00 0.00 0.00 0.00 2.29 2.44 0.00 228 S 8.01 4.70 0.00 4.03 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 0.00 229 D 7.87 4.56 0.00 2.84 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 0.00 230 I 7.12 3.69 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 1.18 0.54 0.91 0.00 0.00 231 D 8.31 4.60 0.00 2.57 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 0.00 232 T 8.53 4.02 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 1.22 0.00 0.00 233 H 8.34 4.25 0.00 3.11 3.34 0.00 5.73 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 234 N 8.13 4.50 0.00 2.81 3.08 0.00 0.00 6.67 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *235 R 7.51 4.20 0.00 1.86 1.65 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.44 0.00 * Residues marked with a * may have inaccurate shift predictions.