NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8036 8.3544 109.7352 44.9174 0.0000 172.7713 2 D 4.1922 8.5258 118.8839 52.9465 40.6705 173.8065 3 T 4.4987 9.0682 116.9618 61.1169 70.2492 174.2137 4 R 3.9929 8.0929 121.3925 55.9749 30.5730 174.9523 5 P 4.1332 0.0000 0.0000 62.7893 31.9210 175.9379 6 R 4.4070 7.7881 120.3665 54.1607 32.5064 175.5058 7 F 4.8727 8.4744 119.3767 55.5366 42.0364 173.9968 8 L 4.8688 8.2143 127.0461 53.0565 45.0386 174.2386 9 E 5.3316 8.9673 126.1302 54.6298 32.0339 174.7766 10 Q 4.9088 9.4644 125.2169 54.1867 32.8935 174.6320 11 V 4.7819 8.3530 120.8925 61.1833 34.9307 174.5384 12 K 4.5532 9.1155 126.5559 55.0149 35.7166 174.8556 13 H 5.2085 9.0730 122.7586 54.5233 29.8624 173.7830 14 E 4.7749 9.2836 124.0250 54.7758 32.2031 175.0561 15 C 5.1900 8.6717 119.7033 55.6979 43.1212 173.0031 16 H 4.7914 8.9581 122.7079 54.1796 30.1482 174.2673 17 F 5.3182 8.7115 122.1108 55.7209 41.3253 175.1547 18 F 4.6177 9.4371 121.5795 56.6865 42.5725 174.1674 19 N 4.3725 9.9916 117.5664 55.0102 37.9422 175.0886 20 G 3.9519 7.9123 115.5479 46.8193 0.0000 172.2362 21 T 4.5631 8.5006 110.9203 60.8418 69.2238 174.3544 22 E 4.0212 8.4361 124.2846 59.3681 29.9065 176.7970 23 R 4.7289 8.1216 119.0311 54.3867 32.6422 174.3061 24 V 4.9640 8.4851 125.1688 61.0848 34.8698 174.1901 25 R 4.6796 9.0998 127.6856 54.5191 32.9412 173.5488 26 F 5.5194 9.7234 129.2893 56.5857 41.9315 174.0817 27 L 4.8717 8.4074 125.5321 52.8108 45.0896 174.8721 28 D 4.8363 9.0370 124.5083 52.7369 42.7530 174.7491 29 R 4.9887 8.7909 125.9027 54.3767 33.3894 174.7620 30 Y 4.8009 8.3554 120.3445 56.0375 41.0846 174.7216 31 F 5.4881 9.7970 122.4142 55.8361 43.3954 173.6912 32 Y 5.0504 9.6929 123.9882 57.7412 40.5713 177.1316 33 H 4.0728 9.6747 129.5964 57.2214 27.0243 176.7495 34 Q 4.4638 9.3412 127.6335 56.2612 30.6915 174.7153 35 E 4.4151 8.3812 120.9032 54.8094 29.7426 174.8907 36 E 4.2168 9.0672 128.5548 56.1847 30.1808 175.3436 37 Y 4.7782 8.3272 124.1074 56.9747 40.7818 175.9088 38 V 4.9206 6.9330 111.7269 60.1712 36.4861 173.8041 39 R 5.3702 8.9748 118.4656 55.4435 33.4273 173.2726 40 F 4.7564 9.1646 123.6170 56.3226 41.8986 173.3337 41 D 5.1371 7.5804 125.7753 52.0785 42.3711 176.9726 42 S 4.2187 9.1207 121.7523 61.2199 63.1889 175.9256 43 D 4.3369 8.4234 119.8878 55.7332 40.9039 177.0011 44 V 3.8582 6.9996 118.6520 62.7919 32.5275 176.8701 45 G 3.9613 9.8143 106.5236 45.0132 0.0000 172.2216 46 E 4.9813 6.8062 115.1124 55.0193 32.3510 174.2323 47 Y 4.5476 9.4222 118.6016 58.1116 38.8066 175.7603 48 R 4.8407 9.1028 122.5023 54.0813 34.0447 174.8848 49 A 4.4818 8.8154 125.2332 52.3474 18.6625 177.2216 50 V 4.3002 9.4457 121.5339 63.6590 33.1157 175.9064 51 T 4.8171 7.6854 108.6283 58.6317 72.0135 174.1855 52 E 4.0444 8.9095 121.7093 59.7880 29.1640 179.4104 53 L 4.1416 7.9692 116.8794 56.5504 41.9660 178.4844 54 G 4.0333 8.6300 108.5837 46.7406 0.0000 176.6510 55 R 3.9196 7.5831 123.0231 61.2846 29.4162 180.6266 56 P 4.3224 0.0000 0.0000 65.5394 31.1903 178.4996 57 D 3.3700 7.5591 116.5599 56.9687 40.5596 178.3749 58 A 3.9832 7.5991 121.1022 55.1594 18.0894 179.6857 59 E 3.8857 8.0431 117.0256 59.8859 29.4929 178.8186 60 Y 4.2128 7.4451 117.6061 60.5436 39.1893 177.8669 61 W 4.2884 8.2148 120.3071 59.6726 28.9437 178.2521 62 N 4.6821 7.9932 115.1387 55.8386 38.0627 177.2870 63 S 4.5072 7.6355 116.0986 59.6391 63.1263 174.5617 64 Q 4.3210 7.4814 121.1165 54.3948 29.1603 176.4981 65 K 4.0117 8.4622 126.2555 59.3753 32.2539 179.0915 66 D 4.6712 7.9413 120.1497 56.1574 40.7633 178.4494 67 L 3.8176 7.6001 120.6697 58.2538 42.2565 178.8564 68 L 4.0208 8.1455 119.0352 57.4867 41.5901 179.1904 69 E 3.9145 8.2149 119.5481 59.2663 29.6007 178.8674 70 Q 3.9896 7.8906 117.8621 59.0483 28.8957 178.9052 71 K 3.5809 7.8745 119.3466 59.4836 31.7092 179.5243 72 R 4.2997 8.1729 116.8858 58.0976 30.2723 177.7427 73 A 4.4672 7.6833 119.1515 51.8712 19.3585 178.3553 74 A 3.6512 7.4393 120.4175 55.3270 18.1853 180.1654 75 V 3.6135 7.8790 109.9923 64.2451 31.3461 177.9026 76 D 4.5282 7.7749 117.6582 56.8111 41.4150 178.8204 77 T 4.0515 8.0287 108.5314 64.0898 69.0399 174.0268 78 Y 4.6791 8.1197 120.8710 59.6162 40.2599 176.7104 79 C 4.2793 7.9095 116.3833 60.2323 41.5547 176.2928 80 R 3.9977 8.4918 119.7327 59.4909 29.6500 178.7112 81 H 4.1183 8.1238 117.8329 59.5573 29.8992 177.1548 82 N 4.3231 8.4630 118.4301 56.2465 38.3026 176.7240 83 Y 3.7573 8.4156 121.4930 60.5768 38.5827 178.5307 84 G 3.6293 8.0052 105.1455 47.7889 0.0000 175.4018 85 V 3.8349 7.6577 119.8765 65.1902 31.7932 177.5056 86 G 3.2052 7.9847 103.1869 43.9596 0.0000 174.6241 87 E 3.4535 7.6139 123.1023 59.3842 29.3418 179.0466 88 S 4.3005 8.1990 113.3990 59.7606 62.9175 174.6422 89 F 4.7776 7.0581 114.6930 56.2962 37.7496 175.0969 90 T 4.4401 6.4594 108.7034 63.0363 71.2136 175.9183 91 V 3.5006 7.4715 123.7420 64.8834 31.7934 177.2533 92 Q 4.3826 8.2292 116.5942 55.5098 29.0239 175.4075 93 R 4.0318 7.6673 119.9771 56.6344 30.3712 176.0466 94 R 4.9556 8.5822 123.6248 55.0528 33.6793 174.3387 95 V 4.6084 9.3592 125.5344 60.8637 33.9786 174.6311 96 Y 5.4209 8.8969 126.2013 55.8161 38.9485 173.5118 97 P 5.0190 0.0000 0.0000 62.6366 33.1553 174.5488 98 E 4.8345 9.1641 122.3996 54.6472 31.9927 174.5557 99 V 4.9042 8.4649 125.7779 61.4393 34.0458 174.5537 100 T 4.7771 9.0443 124.2503 61.7269 71.8573 172.8990 101 V 5.0591 8.6369 126.0366 61.2547 33.7555 174.1245 102 Y 4.9560 8.1905 124.5838 54.8804 41.8448 172.5734 103 P 4.1791 0.0000 0.0000 62.6624 32.0237 175.3237 104 A 4.2700 9.4946 126.4835 53.4413 19.9930 176.5683 *114 L 3.9830 7.5506 119.9746 55.0120 43.5239 174.8982 115 L 4.0855 8.2153 127.4223 52.9934 43.8517 175.8339 116 V 4.4945 8.1131 123.5715 61.0935 34.1405 173.4079 117 C 5.0444 9.4289 128.4471 55.0513 46.0270 172.2271 118 S 5.2046 9.2725 123.0759 56.7646 63.9620 172.7187 119 V 4.8175 8.9469 128.4764 61.5173 33.1231 174.2916 120 N 5.2401 9.2092 124.9436 51.9977 43.1080 175.1477 121 G 4.0478 8.3324 108.0940 46.2926 0.0000 173.7939 122 F 5.1393 7.2939 114.5591 56.2088 40.6706 173.8600 123 Y 5.1910 8.8298 118.7423 56.1978 42.6801 172.7883 124 P 3.1978 0.0000 0.0000 61.7947 32.5406 176.1286 125 G 2.5964 7.9943 107.5127 48.0634 0.0000 174.3741 126 S 3.9571 7.6338 115.8589 59.2151 62.9781 173.2489 127 I 4.5489 7.6905 123.7038 59.8858 41.0438 173.2375 128 E 4.6419 8.9753 126.0136 54.4524 32.8548 174.9248 129 V 4.7173 8.4443 124.0230 61.0970 34.0272 174.6769 130 R 4.7295 9.2205 126.7860 54.1703 33.9597 174.4651 131 W 5.3498 8.6032 121.9831 55.3632 31.5426 175.1533 132 F 5.3458 10.2844 122.7417 55.6959 42.7854 174.1889 133 R 4.6012 9.1560 121.8966 54.8473 33.0439 174.6806 134 N 4.1444 9.9626 126.2846 54.6758 37.9087 175.0383 135 G 4.0264 8.6300 102.9267 45.1784 0.0000 173.8791 136 Q 4.7976 8.0002 119.4832 53.6067 30.8336 174.7901 137 E 3.4687 8.5846 123.1286 55.7817 30.2835 175.6290 138 E 4.4758 8.9455 126.7159 55.1006 30.8465 175.2289 139 K 4.3701 8.6146 121.8453 58.4839 34.4204 176.9354 140 T 3.9787 7.6527 109.4267 61.8927 69.6764 174.4503 141 G 3.9970 8.9121 111.4843 44.7309 0.0000 172.0598 142 V 4.8568 7.5565 118.8162 60.8067 33.3765 175.0963 143 V 4.5364 8.9913 127.4933 61.0898 34.7889 173.8963 144 S 5.4006 8.6135 121.5450 56.6306 64.4618 173.9832 145 T 3.9928 8.9115 116.6794 62.9211 69.1511 175.4762 146 G 3.9588 8.0052 107.7678 44.4225 0.0000 172.5231 147 L 4.2653 8.1669 120.9098 55.0306 42.8869 175.9210 148 I 4.5495 8.8733 127.0274 59.5374 39.6368 174.3170 149 Q 4.1795 8.6380 128.8653 54.8735 29.4438 176.0655 150 N 4.2036 8.4347 125.1610 54.4974 38.7739 176.6659 151 G 3.8922 7.4954 106.9219 45.2538 0.0000 173.3364 152 D 4.9643 7.2755 118.0316 52.7749 39.8000 175.7443 153 W 3.2962 8.2376 116.0776 58.6785 26.4697 174.0184 154 T 5.0415 7.4315 106.1135 60.2481 72.1470 172.1508 155 F 5.1622 8.6507 121.0172 55.8920 43.3208 173.8111 156 Q 4.9193 8.7464 116.3835 56.0135 32.2034 173.3277 157 T 4.9146 9.1360 113.4527 61.2159 71.5806 171.9914 158 L 5.3069 8.7752 126.8220 52.9021 45.2490 175.5309 159 V 4.7675 9.0934 123.5335 61.5298 34.1588 174.0366 160 M 5.1168 9.6015 128.7249 53.7701 34.7374 175.0024 161 L 4.7641 8.4522 124.1911 53.1356 45.0806 175.0160 162 E 4.4702 9.1068 127.4780 55.8550 30.6390 176.0996 163 T 4.7424 7.9599 117.8908 61.0796 70.4785 173.5440 164 V 4.3259 7.8825 122.3725 58.4500 31.6527 173.1843 165 P 4.9633 0.0000 0.0000 62.8637 32.1415 176.7887 166 R 4.3947 8.4648 120.5408 54.3524 31.6511 175.8169 167 S 4.2619 8.6669 113.4536 60.1311 62.2422 173.8318 168 G 4.4646 8.8380 116.2842 45.6967 0.0000 172.7269 169 E 3.9941 8.1429 120.2588 55.9251 31.1503 175.5003 170 V 4.6602 8.2561 126.2638 61.7643 33.6039 173.7009 171 Y 5.3342 9.6809 126.3397 56.8498 40.7657 175.0371 172 T 5.2846 9.6512 119.3823 62.1001 72.9146 171.8620 173 C 4.6803 9.1300 126.7626 54.7485 42.2573 171.9158 174 Q 5.1963 9.2323 127.8862 54.2073 31.6706 174.0687 175 V 4.8769 8.8926 126.1337 61.0687 34.7865 173.8069 176 E 4.9874 9.0541 126.8734 54.9215 32.6854 174.4734 177 H 4.8958 8.5083 121.7491 54.2681 32.9904 172.3683 178 P 4.2322 0.0000 0.0000 65.5843 31.5549 178.0428 179 S 4.3876 8.2433 111.9567 59.8075 63.5328 173.5145 180 L 4.9510 7.5710 121.0817 53.0036 43.4157 176.8134 181 T 4.0287 8.5554 119.6903 65.9343 68.6505 174.3567 182 S 4.7505 7.4815 112.7544 55.2001 66.3866 171.3787 183 P 4.5531 0.0000 0.0000 62.9439 32.0195 175.6771 184 L 4.5942 8.9884 124.9585 53.8762 43.7778 175.2195 185 T 5.1164 8.4844 122.3629 61.7169 71.7085 173.6756 186 V 4.5127 8.6423 124.9184 61.1083 34.5968 173.6902 187 E 5.3072 9.0480 125.9961 54.3288 31.9757 174.9530 188 W 4.8729 9.8301 133.4130 55.5933 33.6462 173.6608 189 R 4.9266 8.0555 127.0834 54.1578 31.5385 175.4588 190 A 3.4895 9.0295 127.3455 52.0039 18.5356 177.0687 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 G 8.35 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 D 8.53 4.19 0.00 2.72 2.61 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 3 T 9.07 4.50 4.22 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 1.25 0.00 0.00 4 R 8.09 3.99 0.00 1.93 1.92 0.00 3.20 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 5 P 0.00 4.13 0.00 1.93 1.78 0.00 3.66 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.09 0.00 6 R 7.79 4.41 0.00 1.56 1.66 0.00 3.16 0.00 0.00 3.14 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.61 0.00 7 F 8.47 4.87 0.00 3.08 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 8 L 8.21 4.87 0.00 1.74 1.46 0.95 0.83 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 9 E 8.97 5.33 0.00 2.18 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 2.39 2.59 0.00 10 Q 9.46 4.91 0.00 2.13 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.55 0.00 0.00 0.00 0.00 0.00 2.26 2.40 0.00 11 V 8.35 4.78 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 0.18 0.00 0.00 0.94 0.00 0.00 12 K 9.12 4.55 0.00 1.88 1.70 0.00 1.48 0.00 0.00 1.58 0.00 0.00 2.65 0.00 0.00 2.37 0.00 0.00 0.00 0.00 1.31 1.40 7.81 13 H 9.07 5.21 0.00 3.30 3.54 0.00 5.67 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 9.28 4.77 0.00 1.81 1.71 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 2.28 2.28 0.00 15 C 8.67 5.19 0.00 2.84 2.47 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 16 H 8.96 4.79 0.00 3.12 3.15 0.00 5.58 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 17 F 8.71 5.32 0.00 2.93 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 18 F 9.44 4.62 0.00 3.06 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 19 N 9.99 4.37 0.00 2.96 2.81 0.00 0.00 7.13 7.90 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 20 G 7.91 3.95 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 0.00 21 T 8.50 4.56 4.15 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 0.21 0.00 0.00 22 E 8.44 4.02 0.00 2.03 2.26 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 2.35 2.32 0.00 23 R 8.12 4.73 0.00 1.92 1.88 0.00 3.29 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.39 0.00 24 V 8.49 4.96 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 0.62 0.00 0.00 1.08 0.00 0.00 25 R 9.10 4.68 0.00 1.97 1.90 0.00 3.23 0.00 0.00 3.15 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 26 F 9.72 5.52 0.00 3.18 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 27 L 8.41 4.87 0.00 1.50 1.39 1.00 0.68 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 28 D 9.04 4.84 0.00 2.55 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 29 R 8.79 4.99 0.00 1.73 1.39 0.00 3.16 0.00 0.00 3.46 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.48 0.00 30 Y 8.36 4.80 0.00 2.27 2.47 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 31 F 9.80 5.49 0.00 3.00 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 32 Y 9.69 5.05 0.00 3.07 3.04 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 0.00 0.00 0.00 33 H 9.67 4.07 0.00 3.25 2.71 0.00 5.66 0.00 0.00 0.00 0.00 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 9.34 4.46 0.00 2.06 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.95 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 35 E 8.38 4.42 0.00 2.19 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 0.00 2.49 2.39 0.00 36 E 9.07 4.22 0.00 1.77 1.83 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 2.04 1.64 0.00 37 Y 8.33 4.78 0.00 3.07 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 38 V 6.93 4.92 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 0.78 0.00 0.00 0.77 0.00 0.00 39 R 8.97 5.37 0.00 1.90 2.08 0.00 2.66 0.00 0.00 3.02 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 40 F 9.16 4.76 0.00 1.51 2.43 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 41 D 7.58 5.14 0.00 2.55 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 42 S 9.12 4.22 0.00 4.17 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 43 D 8.42 4.34 0.00 2.74 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 V 7.00 3.86 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0.00 2.18 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 2.28 2.34 0.00 70 Q 7.89 3.99 0.00 2.24 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.55 0.00 0.00 0.00 0.00 0.00 2.30 2.52 0.00 71 K 7.87 3.58 0.00 1.11 0.74 0.00 1.59 0.00 0.00 1.47 0.00 0.00 3.02 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.41 1.31 7.81 72 R 8.17 4.30 0.00 1.86 2.09 0.00 3.31 0.00 0.00 3.32 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.99 0.00 73 A 7.68 4.47 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 74 A 7.44 3.65 0.36 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 75 V 7.88 3.61 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 1.00 0.00 0.00 0.97 0.00 0.00 76 D 7.77 4.53 0.00 2.82 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 77 T 8.03 4.05 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 128 E 8.98 4.64 0.00 1.86 1.75 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 2.16 2.15 0.00 129 V 8.44 4.72 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 0.60 0.00 0.00 0.78 0.00 0.00 130 R 9.22 4.73 0.00 1.90 1.66 0.00 3.26 0.00 0.00 3.18 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 131 W 8.60 5.35 0.00 3.28 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 F 10.28 5.35 0.00 3.17 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 0.00 133 R 9.16 4.60 0.00 1.86 1.73 0.00 3.42 0.00 0.00 3.08 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.06 0.00 134 N 9.96 4.14 0.00 2.97 2.79 0.00 0.00 7.33 7.53 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 0.00 135 G 8.63 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 Q 8.00 4.80 0.00 2.24 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.95 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 137 E 8.58 3.47 0.00 1.32 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.47 0.00 138 E 8.95 4.48 0.00 2.09 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.46 0.00 139 K 8.61 4.37 0.00 1.80 1.85 0.00 1.68 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.28 1.31 7.81 140 T 7.65 3.98 4.22 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 1.20 0.00 0.00 141 G 8.91 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 0.00 142 V 7.56 4.86 2.24 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 0.94 0.00 0.00 1.01 0.00 0.00 143 V 8.99 4.54 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 0.89 0.00 0.00 0.91 0.00 0.00 144 S 8.61 5.40 0.00 3.90 3.70 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 0.00 145 T 8.91 3.99 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 1.29 0.00 0.00 146 G 8.01 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 0.00 147 L 8.17 4.27 0.00 1.65 1.61 1.00 0.59 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 0.00 148 I 8.87 4.55 2.06 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 1.36 1.17 0.92 0.00 0.00 149 Q 8.64 4.18 0.00 2.12 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.93 0.00 0.00 0.00 0.00 0.00 2.02 1.51 0.00 150 N 8.43 4.20 0.00 2.92 2.77 0.00 0.00 7.20 7.80 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 0.00 151 G 7.50 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 0.00 152 D 7.28 4.96 0.00 2.77 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 0.00 153 W 8.24 3.30 0.00 3.29 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 0.00 154 T 7.43 5.04 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 1.27 0.00 0.00 155 F 8.65 5.16 0.00 1.61 2.40 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 0.00 156 Q 8.75 4.92 0.00 2.25 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.66 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 157 T 9.14 4.91 4.45 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 1.35 0.00 0.00 158 L 8.78 5.31 0.00 1.71 1.55 1.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 159 V 9.09 4.77 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 1.23 0.00 0.00 0.92 0.00 0.00 160 M 9.60 5.12 0.00 1.92 1.93 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.47 0.00 161 L 8.45 4.76 0.00 0.27 0.13 0.71 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 162 E 9.11 4.47 0.00 1.81 1.77 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 2.22 2.14 0.00 163 T 7.96 4.74 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 0.68 0.00 0.00 164 V 7.88 4.33 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 0.85 0.00 0.00 0.96 0.00 0.00 165 P 0.00 4.96 0.00 2.28 2.56 0.00 3.80 0.00 0.00 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.19 0.00 166 R 8.46 4.39 0.00 2.00 1.87 0.00 3.14 0.00 0.00 3.10 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 167 S 8.67 4.26 0.00 3.83 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 0.00 168 G 8.84 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 E 8.14 3.99 0.00 2.43 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 1.79 1.82 0.00 170 V 8.26 4.66 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 1.07 0.00 0.00 0.97 0.00 0.00 171 Y 9.68 5.33 0.00 3.57 3.22 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 0.00 172 T 9.65 5.28 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 1.20 0.00 0.00 173 C 9.13 4.68 0.00 1.78 2.55 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 0.00 174 Q 9.23 5.20 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.53 0.00 0.00 0.00 0.00 0.00 2.24 2.20 0.00 175 V 8.89 4.88 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 0.75 0.00 0.00 0.80 0.00 0.00 176 E 9.05 4.99 0.00 1.85 1.76 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 2.18 2.19 0.00 177 H 8.51 4.90 0.00 3.01 3.04 0.00 5.69 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 P 0.00 4.23 0.00 1.98 2.06 0.00 2.95 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.97 0.00 179 S 8.24 4.39 0.00 4.21 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 0.00 180 L 7.57 4.95 0.00 1.65 1.73 0.92 0.63 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 0.00 181 T 8.56 4.03 4.22 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 1.20 0.00 0.00 182 S 7.48 4.75 0.00 3.88 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 0.00 183 P 0.00 4.55 0.00 1.90 1.99 0.00 3.61 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 1.98 2.23 0.00 184 L 8.99 4.59 0.00 1.67 1.48 0.90 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 185 T 8.48 5.12 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 1.18 0.00 0.00 186 V 8.64 4.51 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 1.02 0.00 0.00 187 E 9.05 5.31 0.00 2.10 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 2.23 2.34 0.00 188 W 9.83 4.87 0.00 3.51 3.31 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 0.00 189 R 8.06 4.93 0.00 1.74 1.57 0.00 3.24 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.55 0.00 190 A 9.03 3.49 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 * Residues marked with a * may have inaccurate shift predictions.