NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.2815 8.1693 120.6279 54.1769 43.1815 176.8423 3 S 4.1522 8.3295 117.2339 57.9443 64.6893 174.3507 4 K 3.9695 8.6308 121.7723 59.7090 32.2786 180.7807 5 R 3.7065 7.6428 118.4238 59.5307 29.7900 178.1392 6 D 4.3112 8.1494 118.5047 56.9675 40.8098 178.4540 7 A 3.9624 8.2121 121.5817 55.2085 18.3832 179.7097 8 I 3.6109 7.8993 118.1137 64.5693 37.2901 178.4409 9 L 3.7757 8.0034 119.8141 57.7368 41.4656 179.5717 10 K 3.7707 8.1935 119.1624 59.4987 32.0721 178.5716 11 A 4.0232 7.9477 120.7029 55.0277 18.2730 179.3705 12 A 3.4939 8.2022 119.6067 55.1598 18.4358 179.8790 13 V 2.5121 7.3832 116.5662 65.8915 31.5853 178.1531 14 E 3.8924 7.9535 118.0364 59.3754 29.3253 179.4207 15 V 3.5312 7.9079 118.4559 66.2163 31.5482 177.9733 16 F 4.7455 8.5786 117.9390 60.8430 38.5791 177.9149 17 G 3.9011 8.4846 106.8536 47.9390 0.0000 176.2974 18 K 4.3101 7.9246 125.0894 58.6328 31.9806 182.4149 19 K 4.7816 8.7118 116.6598 54.6501 34.2503 177.4689 20 G 4.1989 8.1610 104.5374 45.2438 0.0000 174.0848 21 Y 4.3474 8.3376 118.5952 60.7872 38.9756 177.9576 22 D 4.1272 8.3456 120.4339 57.9674 41.2631 178.6711 23 R 4.0232 8.0940 116.0050 58.8116 29.7473 179.0449 24 A 4.3741 7.4551 120.9044 52.7978 18.9086 177.2991 25 T 4.7270 8.5110 111.2447 59.5916 73.0093 175.7434 26 T 3.8616 8.3708 112.9550 65.0177 68.7124 176.3932 27 D 4.3769 8.0603 121.6000 57.2528 40.9299 178.3677 28 E 3.9695 8.1029 117.5857 59.0448 29.6749 179.1646 29 I 3.5173 7.4619 120.6928 64.1641 37.1063 178.0407 30 A 4.0534 8.5704 124.3061 55.8955 18.3309 180.1361 31 E 3.9107 8.4237 116.9884 61.0489 29.5603 180.9398 32 K 4.0591 8.1200 119.9247 59.3606 32.4357 178.3698 33 A 4.2037 8.5721 118.4688 52.0081 18.7642 177.1079 34 G 3.8510 7.8384 104.7657 46.8167 0.0000 173.8386 35 V 4.4687 7.8250 116.7138 59.8744 35.0741 174.7193 36 A 4.1809 8.3724 126.7929 51.9528 19.1941 179.0055 37 K 4.1404 8.9367 122.1688 59.5280 32.2153 179.5971 38 G 3.8856 8.0719 104.4166 46.5658 0.0000 175.1283 39 L 4.2638 8.1138 123.1424 57.8352 42.0479 178.8387 40 I 4.0364 7.7693 119.6168 64.3837 37.1572 177.8007 41 F 4.1458 8.4636 120.9677 61.7578 38.9305 176.0742 42 H 3.7646 8.4040 116.5113 59.7340 29.5958 176.0647 43 Y 4.1572 7.8830 116.1944 59.2492 38.0721 176.2779 44 F 4.8461 8.5552 114.8425 55.9599 41.0645 174.9647 45 K 4.0198 9.4972 126.6531 55.9828 32.3537 176.3077 46 N 5.0810 7.5122 112.7574 50.5821 41.4848 174.6570 47 K 4.1267 8.8463 120.3693 59.8562 32.0747 178.0221 48 E 4.2902 8.3993 120.3578 58.7740 29.6499 178.1387 49 E 4.1157 8.9204 119.5755 59.2056 29.6711 178.2227 50 L 3.6269 8.2684 120.3828 58.4413 41.9710 178.1149 51 Y 4.0313 8.4677 119.1555 61.0428 38.4278 177.5829 52 Y 4.1667 8.1677 118.6296 60.9904 39.0303 177.8208 53 Q 4.1588 8.5255 117.5879 58.8941 29.1536 178.2911 54 A 4.0978 8.3869 122.2202 55.1323 18.3747 179.8569 55 Y 3.5292 8.3351 115.6596 58.2109 38.3776 177.7526 *57 S 4.2920 8.0078 114.0835 57.8346 64.5309 175.9399 58 V 3.6234 7.7742 119.5880 66.2005 31.2278 178.1152 59 T 3.9272 7.9129 112.0470 65.2766 68.6964 176.8666 60 E 4.0041 8.1937 120.9571 60.9243 29.8841 181.5529 61 K 4.2858 7.8206 119.8834 59.6729 32.6274 179.3756 62 L 3.9386 7.8151 119.8534 57.4933 41.5250 179.0629 63 Q 4.0841 8.6863 119.9882 59.0983 28.9625 178.5487 64 K 3.9835 8.0105 119.0692 59.5591 32.1509 179.0816 65 E 4.0545 8.1334 118.3890 59.3954 29.3190 179.1208 66 F 3.2480 8.7339 120.9952 61.2040 39.1427 176.9915 67 E 3.6826 8.3716 117.0724 59.3738 29.3014 178.6256 68 N 4.3536 7.8700 116.1488 56.3746 39.2396 176.3711 69 F 4.0966 8.0796 122.1435 60.9631 39.4069 177.9072 70 L 4.0351 7.2600 117.8403 55.4286 41.5780 178.2475 *72 K 4.1543 8.0402 119.1576 55.2579 33.9201 175.6737 73 N 4.8416 7.5150 113.3385 52.4220 39.7243 175.7519 74 R 3.8278 7.8551 120.0916 59.7242 29.9921 176.9471 75 N 4.6891 8.0618 111.5821 53.9893 39.0148 175.5098 76 R 4.2467 7.9950 117.9488 55.3228 31.1011 175.8643 77 D 4.4447 8.7888 119.1280 54.8777 41.5976 177.6565 78 I 3.8906 8.4635 125.7400 64.1810 38.3217 177.1122 79 F 4.3047 8.4959 118.0154 60.5727 39.2640 176.2670 80 D 4.5971 8.8909 120.6726 57.5651 40.9072 178.3297 81 F 4.2754 9.0321 119.0458 60.0033 39.9879 175.8959 *83 E 4.3638 8.2223 120.7014 56.5807 31.1276 178.0201 84 R 4.0466 8.3880 117.8941 58.9465 29.9515 178.9154 85 W 3.5219 8.3743 128.2923 60.0204 30.5474 178.0776 86 I 3.5519 7.8981 119.3702 64.5433 36.5393 177.7287 87 E 3.8423 8.1626 119.1771 59.6644 29.2210 179.8385 88 K 3.8235 7.3716 118.1863 59.0782 31.9567 179.6634 89 K 3.5868 7.5151 119.1341 59.1713 31.8632 179.3752 90 L 3.6093 8.0868 122.0664 58.2078 41.0452 179.8957 91 E 3.8871 8.1029 118.2877 61.3778 29.5937 180.4300 92 Y 4.1761 8.1165 120.8953 60.5873 38.9496 178.1806 93 S 4.2371 8.5363 116.1581 61.7465 62.7514 176.6636 94 A 4.1069 7.7552 122.0977 54.0634 18.1742 178.7162 95 S 4.4890 7.3172 109.1480 58.3520 65.4236 173.8506 96 H 4.7940 7.9278 119.5818 53.4874 29.1512 172.7479 97 P 4.5184 0.0000 0.0000 65.4641 31.6044 178.3685 98 E 4.0926 8.1073 118.0566 59.1555 29.3491 178.9325 99 E 4.0612 8.1911 118.0340 59.2943 29.5347 178.8769 100 A 4.0479 8.1268 120.7833 55.5141 18.2640 179.3402 101 D 4.3815 8.3918 116.3369 57.4736 41.1697 178.6979 102 F 4.5473 8.5445 121.1106 61.4452 39.5586 177.1166 103 L 3.5194 8.1419 118.9029 57.7332 41.2861 179.1933 104 I 3.9018 7.5934 117.9300 63.1573 37.7469 177.3581 105 T 3.9772 7.6756 109.3988 63.6651 68.4476 175.4706 106 L 4.2413 7.7139 124.9956 56.8061 42.8814 176.7950 107 V 4.1732 6.9884 112.7410 58.9482 29.6194 173.9487 108 S 4.5726 7.3568 118.5693 58.7163 67.5336 178.3593 109 V 3.6100 7.0126 113.7372 60.4063 31.9005 175.8419 110 D 4.5915 8.3824 124.4811 53.8646 41.0346 177.9910 *111 E 4.0450 8.6908 118.7938 61.3340 29.6318 179.0199 112 G 3.8079 7.9891 106.4472 47.5271 0.0000 175.2527 113 L 3.8616 8.2947 123.3689 57.8015 41.9984 179.0920 114 R 3.7377 7.7449 118.5604 58.9546 29.8507 178.4943 115 K 3.8392 8.1401 119.6176 59.3243 32.2739 178.4274 116 R 4.0393 7.9056 119.1532 59.8840 29.8713 178.3660 117 I 3.8813 7.7513 119.0597 64.4070 36.9639 178.4691 118 L 3.9707 8.1671 120.1725 57.7754 41.2107 179.4618 119 L 3.9809 8.5389 119.0047 57.9011 41.6844 178.8507 120 D 4.6454 8.1068 116.6346 55.6526 41.3479 177.7498 121 L 4.4728 7.8477 118.4864 54.8438 42.1289 177.9331 122 E 3.9450 7.9930 123.2552 59.9447 29.3545 179.4157 123 K 4.0362 7.9909 122.1060 59.7202 32.2084 180.5343 124 S 4.5346 7.9875 114.9662 61.5407 63.4442 176.4868 125 Q 4.0572 8.3687 122.0263 58.4557 28.3922 178.5856 126 R 4.0842 8.2420 119.3344 58.4729 29.4647 178.7177 127 V 3.6730 7.6248 118.1022 66.2225 31.5945 177.6203 128 F 4.6332 8.2192 119.8573 61.3628 39.3148 176.3321 129 F 3.8134 8.0786 119.9059 61.7406 39.2282 176.9647 130 D 4.4613 8.7951 118.2996 56.7179 40.4837 178.7085 131 F 4.1131 7.7961 120.7153 61.2011 39.4679 177.1943 132 V 3.0189 7.4650 117.8920 65.8913 30.9002 177.8850 133 R 3.5510 7.1566 117.0054 59.3778 30.0537 177.8473 134 E 3.9421 7.7560 118.5585 59.0873 29.5977 178.9042 135 K 3.7164 7.7029 118.7358 59.0179 32.0648 179.2141 136 L 4.0258 7.8105 119.0749 57.0307 41.2582 179.1508 137 K 4.1182 7.5194 117.5973 58.3001 32.0334 177.7909 138 D 4.5975 7.7028 117.6359 53.4061 41.6713 175.9966 139 L 4.3938 7.0198 121.9726 54.0620 43.2208 176.5661 140 D 4.6281 8.2526 125.6426 52.7839 39.7545 175.4217 141 L 4.3814 7.7915 122.4014 53.4123 43.0944 177.1111 142 A 4.1486 8.4815 126.0405 52.7873 18.8955 179.5012 *143 E 4.0770 8.7869 116.2692 58.1884 29.8848 178.5547 144 D 4.8245 8.0417 114.1048 53.2051 39.9031 175.8455 145 V 4.3135 7.4843 119.9518 61.1900 33.2717 176.0639 146 T 4.2822 8.2590 117.8965 61.3359 71.0487 175.3159 147 E 4.0190 8.6110 121.0707 59.3064 29.3866 179.5589 148 E 3.9573 8.0832 118.5530 59.5232 29.5868 179.2213 149 I 3.7825 7.9027 119.6859 64.0498 37.0556 178.2808 150 A 4.0968 8.1589 121.7400 55.1167 18.0332 179.4185 151 L 3.7227 7.8452 117.4449 58.1417 42.2699 178.4310 152 K 4.1321 8.0152 118.3063 59.8042 32.3420 178.0949 153 F 5.0313 8.6582 120.6434 61.4209 39.2864 177.8035 154 L 4.1494 8.1315 115.3038 55.5746 41.2538 178.6713 *156 W 5.1768 7.9283 131.1549 57.7027 32.7013 177.1061 157 F 3.9026 8.8215 119.8786 61.2830 38.6630 176.5954 158 F 4.1764 8.9359 120.6441 61.6572 39.3537 177.3024 159 S 4.3725 8.6500 113.4553 61.3556 62.9847 176.4174 160 G 3.7118 8.6155 109.9199 47.3946 0.0000 175.6423 161 F 3.9587 8.1267 123.0647 60.9209 39.3471 176.8606 162 E 3.1084 7.7517 118.9327 58.9940 29.5270 178.3416 163 E 3.7165 7.9407 119.2916 59.0807 29.5441 179.0399 164 V 3.4391 7.5156 118.3999 66.1595 31.6200 177.7165 165 Y 4.1846 7.4387 117.7338 59.9304 37.6322 177.8598 166 L 3.9759 6.6722 120.0937 57.5699 41.4068 179.4869 167 R 4.0370 7.7149 117.5678 59.5867 29.8715 179.1858 168 T 3.7577 7.9222 114.5021 66.0721 68.6199 175.4202 169 Y 4.6288 8.1041 116.7390 56.3719 38.1297 175.0209 170 Q 4.2534 7.1837 121.2610 57.8802 29.2455 177.1671 171 G 3.9820 9.3869 112.7961 46.0038 0.0000 173.7828 172 K 4.7262 8.2278 118.4874 53.6922 32.5195 175.3352 173 P 4.2989 0.0000 0.0000 66.0123 31.7688 178.5401 174 E 3.9213 8.1555 117.8571 58.8913 29.3808 178.9170 175 L 4.0111 7.8919 120.1840 57.8925 42.0941 178.3780 176 L 3.0490 7.5599 118.8745 58.0210 42.0353 178.7328 177 K 4.0246 8.0092 119.4188 60.2507 32.0347 179.8942 178 R 4.1803 7.8903 119.8451 60.2952 30.7360 179.6390 179 D 4.7546 7.8411 120.9699 52.8019 38.6392 176.3833 *181 N 4.6291 7.9174 120.1782 53.4950 41.2671 177.2855 182 T 3.8683 7.8855 114.0811 66.6579 68.5490 176.3607 183 L 4.0758 8.0404 120.9634 57.9352 41.6911 179.8751 184 V 3.5098 7.6850 117.3463 65.9693 31.5942 177.3210 185 E 3.9275 8.2247 118.9777 59.4108 29.2154 178.4884 186 E 3.9828 8.2664 117.5577 59.5783 29.6586 179.2631 187 V 3.7238 7.9341 117.1036 65.8158 31.8203 177.5905 188 K 4.0861 8.0676 118.2679 59.6066 31.9340 180.3955 189 V 3.5124 7.4276 115.8667 63.3957 31.3836 177.5789 *191 L 4.0504 7.9386 118.9921 54.2599 43.8016 179.5583 192 R 3.7640 7.8706 117.5922 58.9474 29.7769 178.9949 193 I 3.5742 8.0039 120.0908 64.4097 36.9214 178.4731 194 L 3.7352 7.4270 117.5487 57.4487 41.5886 178.8360 195 K 3.2163 7.5317 118.5972 59.2853 32.0010 178.3169 196 K 4.1069 8.0217 118.7168 59.1159 32.1138 178.4232 197 G 3.8229 7.8320 104.5346 44.4648 0.0000 173.2277 *199 T 4.3229 7.3401 109.7597 60.6277 69.9870 173.8122 200 K 4.1418 8.6273 120.4454 56.8214 31.9823 177.3109 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 L 8.17 4.28 0.00 1.65 1.66 0.90 0.57 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 3 S 8.33 4.15 0.00 4.10 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 4 K 8.63 3.97 0.00 1.95 2.05 0.00 1.69 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.61 1.55 7.81 5 R 7.64 3.71 0.00 0.67 1.54 0.00 2.51 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.38 0.00 6 D 8.15 4.31 0.00 2.72 2.67 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 7 A 8.21 3.96 1.38 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 0.00 0.00 0.00 8 I 7.90 3.61 2.20 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.78 0.90 0.00 0.00 9 L 8.00 3.78 0.00 1.78 1.64 0.98 0.41 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 10 K 8.19 3.77 0.00 1.76 1.91 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.41 7.81 11 A 7.95 4.02 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 12 A 8.20 3.49 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 13 V 7.38 2.51 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 0.90 0.00 0.00 0.42 0.00 0.00 14 E 7.95 3.89 0.00 2.13 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.41 0.00 15 V 7.91 3.53 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 0.96 0.00 0.00 0.88 0.00 0.00 16 F 8.58 4.75 0.00 3.50 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 17 G 8.48 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 0.00 0.00 0.00 18 K 7.92 4.31 0.00 1.91 1.73 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.34 7.81 19 K 8.71 4.78 0.00 1.85 1.90 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.44 7.81 20 G 8.16 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 Y 8.34 4.35 0.00 2.66 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 22 D 8.35 4.13 0.00 2.72 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 R 8.09 4.02 0.00 1.83 1.84 0.00 3.29 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 24 A 7.46 4.37 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 25 T 8.51 4.73 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 26 T 8.37 3.86 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 1.30 0.00 0.00 27 D 8.06 4.38 0.00 2.78 2.76 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 28 E 8.10 3.97 0.00 2.20 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 2.46 2.26 0.00 29 I 7.46 3.52 1.87 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.47 0.78 0.00 0.00 30 A 8.57 4.05 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 31 E 8.42 3.91 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 2.24 2.19 0.00 32 K 8.12 4.06 0.00 1.78 1.99 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.47 7.81 33 A 8.57 4.20 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 34 G 7.84 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 0.00 0.00 0.00 35 V 7.82 4.47 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 0.91 0.00 0.00 1.00 0.00 0.00 36 A 8.37 4.18 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 37 K 8.94 4.14 0.00 1.84 1.93 0.00 1.68 0.00 0.00 1.84 0.00 0.00 3.17 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.56 1.54 7.81 38 G 8.07 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.11 4.26 0.00 1.94 1.87 0.82 1.00 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 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0.00 0.00 1.68 0.82 0.55 0.00 0.00 118 L 8.17 3.97 0.00 1.78 1.68 0.87 0.60 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 0.00 119 L 8.54 3.98 0.00 1.72 1.74 0.90 1.03 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 0.00 120 D 8.11 4.65 0.00 2.95 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 0.00 121 L 7.85 4.47 0.00 1.77 1.72 1.03 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 122 E 7.99 3.95 0.00 2.18 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 0.00 2.26 2.32 0.00 123 K 7.99 4.04 0.00 1.89 1.72 0.00 1.86 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.36 1.07 7.81 124 S 7.99 4.53 0.00 4.29 4.18 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 0.00 125 Q 8.37 4.06 0.00 2.13 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.84 0.00 0.00 0.00 0.00 0.00 2.42 2.61 0.00 126 R 8.24 4.08 0.00 1.95 1.95 0.00 3.08 0.00 0.00 3.12 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.58 0.00 127 V 7.62 3.67 2.35 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 1.09 0.00 0.00 1.05 0.00 0.00 128 F 8.22 4.63 0.00 2.44 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 F 8.08 3.81 0.00 3.14 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 0.00 130 D 8.80 4.46 0.00 2.94 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 0.00 131 F 7.80 4.11 0.00 3.12 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 0.00 132 V 7.47 3.02 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.15 0.00 0.00 133 R 7.16 3.55 0.00 1.50 1.88 0.00 3.31 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 1.51 1.43 0.00 134 E 7.76 3.94 0.00 2.19 1.73 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 2.25 2.30 0.00 135 K 7.70 3.72 0.00 1.37 1.46 0.00 1.41 0.00 0.00 1.18 0.00 0.00 2.73 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.34 0.21 7.81 136 L 7.81 4.03 0.00 1.68 1.62 0.77 0.39 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 0.00 137 K 7.52 4.12 0.00 1.70 1.82 0.00 1.72 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.55 7.81 138 D 7.70 4.60 0.00 2.77 2.67 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 0.00 139 L 7.02 4.39 0.00 1.70 1.64 1.11 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 140 D 8.25 4.63 0.00 2.78 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 0.00 141 L 7.79 4.38 0.00 1.68 1.70 1.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 142 A 8.48 4.15 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 *143 E 8.79 4.08 0.00 2.00 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 2.23 1.87 0.00 144 D 8.04 4.82 0.00 2.75 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 0.00 145 V 7.48 4.31 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 0.91 0.00 0.00 0.99 0.00 0.00 146 T 8.26 4.28 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 1.22 0.00 0.00 147 E 8.61 4.02 0.00 2.00 1.98 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 2.36 2.38 0.00 148 E 8.08 3.96 0.00 2.07 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 0.00 2.41 2.48 0.00 149 I 7.90 3.78 1.93 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 1.45 0.59 0.99 0.00 0.00 150 A 8.16 4.10 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 0.00 151 L 7.85 3.72 0.00 1.58 1.81 0.35 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 152 K 8.02 4.13 0.00 1.98 2.15 0.00 1.87 0.00 0.00 1.62 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.56 1.57 7.81 153 F 8.66 5.03 0.00 3.34 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 L 8.13 4.15 0.00 1.88 1.64 0.50 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 *156 W 7.93 5.18 0.00 3.59 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 0.00 157 F 8.82 3.90 0.00 3.16 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 0.00 158 F 8.94 4.18 0.00 3.69 3.43 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 0.00 159 S 8.65 4.37 0.00 4.30 4.47 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.62 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 0.00 0.00 0.00 161 F 8.13 3.96 0.00 2.56 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 0.00 162 E 7.75 3.11 0.00 1.74 1.87 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 1.96 2.03 0.00 163 E 7.94 3.72 0.00 2.11 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 2.23 2.25 0.00 164 V 7.52 3.44 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 0.99 0.00 0.00 0.95 0.00 0.00 165 Y 7.44 4.18 0.00 3.31 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 0.00 166 L 6.67 3.98 0.00 1.43 1.65 0.75 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 167 R 7.71 4.04 0.00 2.01 1.91 0.00 3.08 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 168 T 7.92 3.76 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 0.58 0.00 0.00 169 Y 8.10 4.63 0.00 3.23 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 0.00 170 Q 7.18 4.25 0.00 2.31 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.01 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 171 G 9.39 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 0.00 172 K 8.23 4.73 0.00 2.04 1.79 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.34 1.20 7.81 173 P 0.00 4.30 0.00 2.23 2.30 0.00 3.82 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 174 E 8.16 3.92 0.00 2.01 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 2.40 2.30 0.00 175 L 7.89 4.01 0.00 1.86 2.07 1.00 0.56 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 0.00 176 L 7.56 3.05 0.00 1.31 1.68 0.14 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 177 K 8.01 4.02 0.00 1.85 1.81 0.00 1.89 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.60 7.81 178 R 7.89 4.18 0.00 1.92 1.85 0.00 3.25 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 179 D 7.84 4.75 0.00 2.59 2.67 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 *181 N 7.92 4.63 0.00 2.84 2.89 0.00 0.00 7.00 7.05 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 0.00 182 T 7.89 3.87 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 1.25 0.00 0.00 183 L 8.04 4.08 0.00 1.66 1.87 0.66 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 184 V 7.68 3.51 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 1.07 0.00 0.00 0.88 0.00 0.00 185 E 8.22 3.93 0.00 2.25 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 186 E 8.27 3.98 0.00 2.21 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 0.00 2.40 2.55 0.00 187 V 7.93 3.72 2.09 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 0.71 0.00 0.00 0.33 0.00 0.00 188 K 8.07 4.09 0.00 2.04 1.86 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.60 7.81 189 V 7.43 3.51 2.09 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 1.03 0.00 0.00 0.98 0.00 0.00 *191 L 7.94 4.05 0.00 1.77 1.86 1.11 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 192 R 7.87 3.76 0.00 1.97 1.87 0.00 3.09 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.80 0.00 193 I 8.00 3.57 1.76 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 1.48 0.69 0.85 0.00 0.00 194 L 7.43 3.74 0.00 1.59 1.59 0.18 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 195 K 7.53 3.22 0.00 0.79 1.35 0.00 1.04 0.00 0.00 1.27 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.03 0.62 7.81 196 K 8.02 4.11 0.00 1.66 1.88 0.00 1.80 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.39 7.81 197 G 7.83 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 *199 T 7.34 4.32 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 1.19 0.00 0.00 200 K 8.63 4.14 0.00 2.01 1.76 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.47 1.25 7.81 * Residues marked with a * may have inaccurate shift predictions.