NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -5 N 4.6772 8.4244 119.2140 52.7653 40.7865 173.4061 -4 L 4.5299 7.8165 118.6305 53.3162 43.8031 173.2631 -3 Y 4.7299 8.2681 125.9295 56.1148 41.2766 174.0593 -2 F 4.5306 6.5553 118.5112 55.2204 40.7985 173.5663 -1 Q 3.7458 8.2212 121.2846 56.3250 29.1429 176.5802 0 G 3.7598 8.5059 111.1044 46.0781 0.0000 172.3188 -3 E 4.5299 8.5681 125.8295 54.8148 33.3765 174.7593 -2 L 4.2506 6.4153 120.0112 52.6204 43.5985 175.3663 -1 V 3.5258 7.9312 120.6846 62.8250 32.6429 176.8802 0 F 4.4198 8.4759 122.6044 58.6781 37.1140 173.2189 6 D 4.8687 8.3632 123.1379 51.5400 42.8194 177.2776 7 K 3.8447 8.4607 119.1139 60.1473 32.0262 178.1622 8 D 4.5819 8.1702 118.5545 57.3149 40.9171 178.9174 9 G 3.8235 8.5402 106.3170 47.3547 0.0000 175.7040 10 L 3.3218 8.0590 122.7873 57.9938 42.0579 178.7878 11 S 4.1265 8.5177 115.2836 61.9131 62.8157 176.8342 12 A 4.0415 8.0708 123.1834 55.2617 18.1860 179.0973 13 Y 4.0261 7.9729 117.7759 60.4746 38.7017 177.9266 14 L 4.0298 8.0846 120.2814 57.5921 41.5873 179.1195 15 E 4.1523 7.8524 117.6557 59.1900 29.3958 178.5738 16 E 3.9133 7.6594 118.5790 59.3101 29.8277 178.7729 17 V 3.5034 7.0222 117.9592 64.1052 32.3578 175.8016 18 F 4.9295 7.8816 117.4046 54.4677 39.9042 173.3991 19 P 4.4117 0.0000 0.0000 65.8751 31.6770 179.7898 20 Q 4.1597 8.2078 116.0254 57.7154 28.3735 181.0387 21 I 3.9848 8.0129 113.6117 64.2175 37.9348 176.9852 22 Q 4.1935 7.4510 119.4203 56.7518 28.0385 178.9995 23 G 4.1558 9.1824 111.5944 44.0751 0.0000 173.3828 24 E 4.1970 8.5866 119.6017 57.0644 31.5833 175.8100 25 F 5.7774 7.9399 116.6191 55.6709 41.1014 175.1339 26 S 4.8209 9.0377 117.6047 56.5140 66.3686 173.8039 27 I 4.1722 8.3702 122.7405 61.0612 36.8061 175.7690 28 D 4.4595 9.1188 128.6569 56.9231 41.2249 176.8221 29 A 4.6915 7.4833 119.1407 50.8762 22.0933 174.5111 30 L 4.9749 8.2239 120.7086 53.4845 45.3132 175.3002 31 A 4.8172 8.9043 127.4603 50.0813 22.6977 176.7697 32 K 3.9761 8.9610 118.7130 59.4341 32.1622 178.8149 33 G 4.2785 8.1010 105.4839 46.2500 0.0000 172.5379 34 E 5.2238 7.9523 118.0873 55.2467 34.6738 174.0640 35 I 5.0263 8.5028 121.1373 59.8477 42.0863 174.1669 36 T 5.5705 8.5664 123.6765 60.9513 72.3173 173.0580 *38 R 4.4467 8.1966 121.7790 56.3807 31.8741 173.5549 39 L 4.8785 8.8186 128.7171 53.3517 43.9258 174.9124 40 N 4.7811 9.2640 127.1230 53.3014 38.8350 175.8949 41 V 3.6329 9.0367 128.1449 64.4049 32.1521 178.6290 42 Q 3.8396 8.2824 121.5751 58.9278 28.9256 177.4355 43 E 3.9072 7.6944 116.6597 58.0686 29.6078 177.2709 44 R 4.1256 7.5765 115.8450 56.7729 31.2242 176.0102 45 H 3.9932 7.3795 113.4157 56.6324 26.3956 173.9349 46 L 4.5535 7.3795 121.0012 53.5231 43.9680 178.2446 47 R 4.1465 8.1980 119.3527 55.2608 30.1015 175.1507 48 P 4.4422 0.0000 0.0000 64.5229 31.7202 177.6194 49 G 4.0109 8.9095 108.9339 45.8426 0.0000 174.4070 50 G 3.8307 7.8732 108.6414 45.5088 0.0000 173.0933 51 T 4.6902 7.8898 109.8112 58.8367 71.9695 173.9859 52 V 3.6256 8.3079 122.5340 63.2237 31.9721 176.1631 53 S 4.4757 8.4285 121.1039 57.3538 64.1620 174.5266 54 G 3.6826 8.4409 109.8772 48.1964 0.0000 173.4992 55 P 4.4550 0.0000 0.0000 65.5149 31.6127 177.9727 56 S 4.6041 7.8588 113.1390 59.1913 62.6230 175.8655 *58 F 4.3858 8.2633 123.9336 58.2530 40.9471 176.6275 59 A 4.0329 8.3727 122.1854 55.2159 18.1226 179.3704 60 L 3.3929 8.3306 118.6904 58.0621 42.0909 178.9869 61 A 3.8408 7.7026 120.1426 55.2198 18.3710 179.0029 62 D 4.1626 7.9225 117.1318 57.2434 41.1664 178.7297 63 V 3.4581 7.6239 119.9618 64.7496 31.3271 178.4505 64 S 4.0184 7.8251 115.7985 61.4812 62.6576 176.9980 65 V 3.5981 7.5363 120.8537 65.7791 31.1933 177.3206 66 Y 3.3559 7.9801 119.2137 60.4588 38.5230 178.0347 67 A 3.8910 8.2699 121.8259 55.1255 18.2817 179.3763 68 L 3.8591 7.7322 118.5475 58.0731 42.1399 179.3734 69 V 3.5079 7.7374 118.4138 66.0339 31.3916 178.0222 70 L 3.8676 7.6685 118.5856 57.6804 41.1433 179.2720 71 A 4.1496 8.0628 120.1720 55.2053 18.2467 178.6509 72 H 4.6597 7.7418 112.0196 57.7664 29.5556 177.0136 73 L 4.3525 8.0374 119.1777 54.8813 42.2965 177.3930 74 G 3.7575 8.3215 105.5255 44.3111 0.0000 173.2026 75 R 3.6294 8.3637 118.5311 60.1070 29.9925 179.2562 76 E 4.4089 8.1250 109.5191 55.9283 29.5423 177.2498 77 A 4.7404 7.7890 125.0052 52.1635 20.5033 178.8769 78 L 4.7280 8.2048 123.6885 52.0194 41.1021 170.9128 79 A 4.5512 8.2087 124.6403 51.6283 19.5175 176.9817 80 V 4.4875 9.0338 123.7982 61.1421 33.8393 175.1544 81 T 4.0939 8.9219 125.4068 64.3246 68.1496 173.8909 82 T 4.4715 8.4308 116.6359 62.4550 70.8903 174.3229 83 N 5.1247 7.7528 117.6446 51.8848 42.3310 173.5903 84 A 4.9865 8.4642 125.0463 50.3702 22.5132 175.4878 85 S 4.8083 9.0947 115.9511 56.6231 66.8495 173.1427 86 L 4.9500 8.2732 120.3478 53.3727 45.6984 174.9382 87 D 4.7907 8.9533 123.6305 52.5289 43.2453 175.4735 88 F 4.9664 8.6181 121.7440 56.0575 41.1311 175.5145 *90 R 4.1729 8.3011 119.2813 55.5994 31.4326 175.4712 91 K 4.0129 8.5798 122.9770 55.6586 32.6708 175.1274 92 P 4.3210 0.0000 0.0000 62.6360 31.8649 175.5373 93 E 4.0609 8.7628 123.2802 55.6298 29.8837 176.7542 94 S 4.0528 8.5439 121.7119 59.9188 62.8830 173.8574 95 G 4.0145 9.4119 115.2621 45.1078 0.0000 172.7192 96 R 4.7964 7.3720 116.3546 53.7581 33.8992 175.1995 97 D 4.6804 8.7254 121.1787 54.5823 42.5730 174.6513 98 L 5.2178 8.4136 122.2529 53.5022 44.5488 174.9594 99 L 5.0527 9.2434 126.3626 52.9150 44.9359 175.4573 100 G 4.3262 8.7532 110.2474 44.7714 0.0000 172.1767 101 Q 4.7576 9.2884 126.2554 54.4944 29.6906 174.7514 102 A 5.0911 8.7886 126.6989 50.7304 21.2393 176.0388 103 R 4.9334 9.0807 116.2067 54.2160 33.2640 174.0543 104 L 4.3583 8.5146 124.5132 54.4862 41.9202 176.0660 105 L 4.3527 8.2292 126.4916 55.8603 43.2465 176.9304 106 K 4.3862 7.2784 117.8915 55.3767 35.6369 174.8049 107 L 4.7878 8.3610 127.2311 53.4636 42.4156 175.9504 108 G 4.0702 8.8439 114.9629 44.4161 0.0000 171.6627 109 R 4.1421 8.6592 116.8419 58.6383 29.6824 173.0856 110 T 4.9465 7.7747 105.5539 60.2792 71.4546 174.0424 111 L 5.3496 7.8555 121.2798 53.0176 46.4035 174.9114 112 A 5.1835 9.1922 124.2529 50.1926 22.5211 175.2779 113 V 4.6581 8.9371 120.3796 61.3903 35.2037 174.5119 114 G 4.5264 8.4509 112.3980 45.3169 0.0000 170.6594 115 D 5.2079 8.6391 119.3820 51.8131 43.7207 174.0482 116 I 4.8099 8.2496 116.0783 60.0813 41.9736 172.7746 117 L 4.9660 8.5637 128.4278 52.9568 44.2771 175.2542 118 L 5.1008 8.2503 123.3601 53.2156 44.1686 175.6181 119 F 5.0344 9.2172 121.0349 55.6033 43.4447 174.2659 120 S 4.6660 8.8174 118.7673 57.9419 63.4768 173.7362 121 E 3.7517 8.7093 126.8207 57.2826 29.7082 177.4202 122 G 3.7366 8.3699 115.8042 46.2174 0.0000 173.0834 *124 E 4.2745 7.7108 116.3713 55.9408 32.0189 177.1530 125 A 4.3065 8.0304 122.0334 50.6120 18.9023 175.2794 126 P 4.0132 0.0000 0.0000 62.8470 31.8707 177.1694 127 V 3.9247 8.2164 114.8437 64.0820 32.2483 175.8655 128 A 4.7975 7.3888 120.0721 51.0637 22.6610 175.1964 129 R 4.9789 8.6141 114.8432 55.0326 33.4276 174.0705 130 S 4.8949 8.8226 113.9500 57.6659 66.6744 172.5759 131 T 5.2088 8.2295 119.6484 60.7890 73.2170 172.7663 *133 T 4.4909 8.1877 117.0591 63.9921 70.2224 173.1214 134 Y 5.1624 8.7680 121.8261 56.2112 42.4258 174.4429 135 S 4.8180 9.6244 119.0398 57.8581 64.2532 172.7802 136 I 4.8331 8.7470 129.0064 59.2563 38.4070 173.9965 137 P 4.6751 0.0000 0.0000 60.2594 33.0558 174.3208 138 P 4.4044 0.0000 0.0000 63.1534 31.1871 176.3722 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 -5 N 8.42 4.68 0.00 2.71 2.93 0.00 0.00 6.85 6.89 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 -4 L 7.82 4.53 0.00 1.77 1.63 0.98 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 -3 Y 8.27 4.73 0.00 2.91 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 -2 F 6.56 4.53 0.00 2.93 2.75 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 -1 Q 8.22 3.75 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.69 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 0 G 8.51 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 -3 E 8.57 4.53 0.00 1.94 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 2.21 2.33 0.00 -2 L 6.42 4.25 0.00 1.41 1.33 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 -1 V 7.93 3.53 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 0.66 0.00 0.00 0.93 0.00 0.00 0 F 8.48 4.42 0.00 2.94 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 6 D 8.36 4.87 0.00 2.97 2.85 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 7 K 8.46 3.84 0.00 1.86 1.88 0.00 1.74 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.53 1.56 7.81 8 D 8.17 4.58 0.00 2.76 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 G 8.54 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 10 L 8.06 3.32 0.00 1.68 1.72 0.44 0.81 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 11 S 8.52 4.13 0.00 4.02 3.94 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 0.00 0.00 0.00 12 A 8.07 4.04 1.46 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 13 Y 7.97 4.03 0.00 3.15 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 14 L 8.08 4.03 0.00 1.80 1.86 0.98 1.10 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 15 E 7.85 4.15 0.00 1.90 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 2.39 2.50 0.00 16 E 7.66 3.91 0.00 1.94 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.20 0.00 17 V 7.02 3.50 1.26 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 -0.86 0.00 0.00 0.29 0.00 0.00 18 F 7.88 4.93 0.00 3.19 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 19 P 0.00 4.41 0.00 2.20 2.11 0.00 3.67 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.06 0.00 20 Q 8.21 4.16 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.11 0.00 0.00 0.00 0.00 0.00 2.28 1.92 0.00 21 I 8.01 3.98 2.14 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.16 1.00 0.00 0.00 22 Q 7.45 4.19 0.00 2.23 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.62 0.00 0.00 0.00 0.00 0.00 2.31 2.19 0.00 23 G 9.18 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 0.00 0.00 0.00 24 E 8.59 4.20 0.00 1.83 1.46 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 1.47 1.86 0.00 25 F 7.94 5.78 0.00 2.98 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 26 S 9.04 4.82 0.00 3.85 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 27 I 8.37 4.17 1.89 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.58 0.98 0.00 0.00 28 D 9.12 4.46 0.00 2.80 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 29 A 7.48 4.69 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 30 L 8.22 4.97 0.00 1.54 1.51 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 31 A 8.90 4.82 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 32 K 8.96 3.98 0.00 1.80 1.95 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.47 7.81 33 G 8.10 4.28 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 E 7.95 5.22 0.00 1.93 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 35 I 8.50 5.03 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.69 0.93 0.00 0.00 36 T 8.57 5.57 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 1.24 0.00 0.00 *38 R 8.20 4.45 0.00 2.11 2.00 0.00 3.18 0.00 0.00 3.49 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 39 L 8.82 4.88 0.00 2.01 1.74 1.07 0.39 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 40 N 9.26 4.78 0.00 2.79 2.74 0.00 0.00 6.52 7.60 0.00 0.00 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 V 9.04 3.63 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 0.68 0.00 0.00 0.92 0.00 0.00 42 Q 8.28 3.84 0.00 2.07 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.96 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 43 E 7.69 3.91 0.00 1.90 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 2.26 2.39 0.00 44 R 7.58 4.13 0.00 1.94 1.92 0.00 3.47 0.00 0.00 3.19 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.68 0.00 45 H 7.38 3.99 0.00 3.23 3.26 0.00 5.64 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 7.38 4.55 0.00 1.62 1.58 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 47 R 8.20 4.15 0.00 1.73 1.81 0.00 3.27 0.00 0.00 3.34 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.22 0.00 48 P 0.00 4.44 0.00 2.03 2.04 0.00 3.72 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 49 G 8.91 4.01 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 0.00 0.00 0.00 50 G 7.87 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 51 T 7.89 4.69 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 1.29 0.00 0.00 52 V 8.31 3.63 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 0.89 0.00 0.00 0.95 0.00 0.00 53 S 8.43 4.48 0.00 4.00 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 54 G 8.44 3.68 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 0.00 0.00 0.00 55 P 0.00 4.45 0.00 2.21 2.10 0.00 3.54 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.08 0.00 56 S 7.86 4.60 0.00 4.05 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 *58 F 8.26 4.39 0.00 3.25 3.38 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 59 A 8.37 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 60 L 8.33 3.39 0.00 1.96 1.71 0.98 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 61 A 7.70 3.84 1.16 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 0.00 0.00 62 D 7.92 4.16 0.00 2.09 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 0.00 0.00 0.00 0.00 63 V 7.62 3.46 1.54 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 0.02 0.00 0.00 0.71 0.00 0.00 64 S 7.83 4.02 0.00 3.99 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 V 7.54 3.60 2.27 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 1.18 0.00 0.00 0.95 0.00 0.00 66 Y 7.98 3.36 0.00 3.09 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 67 A 8.27 3.89 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 68 L 7.73 3.86 0.00 1.92 1.73 1.02 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 69 V 7.74 3.51 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 0.78 0.00 0.00 0.71 0.00 0.00 70 L 7.67 3.87 0.00 1.68 1.55 1.14 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 71 A 8.06 4.15 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 H 7.74 4.66 0.00 3.30 3.41 0.00 5.84 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.04 4.35 0.00 1.58 1.69 0.89 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 74 G 8.32 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 75 R 8.36 3.63 0.00 1.80 1.99 0.00 3.08 0.00 0.00 3.44 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.36 0.00 76 E 8.12 4.41 0.00 1.99 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 2.23 1.87 0.00 77 A 7.79 4.74 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 78 L 8.20 4.73 0.00 1.64 1.45 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 79 A 8.21 4.55 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 80 V 9.03 4.49 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 1.03 0.00 0.00 1.03 0.00 0.00 81 T 8.92 4.09 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 0.91 0.00 0.00 82 T 8.43 4.47 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 1.31 0.00 0.00 83 N 7.75 5.12 0.00 2.65 2.58 0.00 0.00 6.66 7.96 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 84 A 8.46 4.99 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 85 S 9.09 4.81 0.00 3.80 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 86 L 8.27 4.95 0.00 1.18 0.74 1.10 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 87 D 8.95 4.79 0.00 2.39 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 88 F 8.62 4.97 0.00 2.89 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 *90 R 8.30 4.17 0.00 1.73 1.92 0.00 3.23 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.65 0.00 91 K 8.58 4.01 0.00 1.98 1.74 0.00 1.91 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.42 1.03 7.81 92 P 0.00 4.32 0.00 2.10 2.02 0.00 3.74 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 93 E 8.76 4.06 0.00 1.92 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 2.34 2.30 0.00 94 S 8.54 4.05 0.00 3.87 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 95 G 9.41 4.01 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 0.00 0.00 0.00 96 R 7.37 4.80 0.00 1.68 1.82 0.00 3.24 0.00 0.00 3.45 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 97 D 8.73 4.68 0.00 2.78 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 98 L 8.41 5.22 0.00 1.81 1.59 0.97 1.06 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 99 L 9.24 5.05 0.00 1.75 1.62 0.93 0.66 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 0.00 100 G 8.75 4.33 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 0.00 101 Q 9.29 4.76 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.48 0.00 102 A 8.79 5.09 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 0.00 103 R 9.08 4.93 0.00 1.87 1.99 0.00 2.78 0.00 0.00 3.11 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.49 0.00 104 L 8.51 4.36 0.00 1.33 0.85 0.74 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 105 L 8.23 4.35 0.00 1.48 1.63 0.93 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 106 K 7.28 4.39 0.00 1.75 1.53 0.00 1.66 0.00 0.00 1.73 0.00 0.00 2.77 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.42 7.81 107 L 8.36 4.79 0.00 1.52 1.69 0.82 1.07 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 0.00 108 G 8.84 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 0.00 109 R 8.66 4.14 0.00 1.84 1.86 0.00 3.21 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 110 T 7.77 4.95 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 0.00 111 L 7.86 5.35 0.00 1.57 1.54 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 112 A 9.19 5.18 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 0.00 113 V 8.94 4.66 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 0.91 0.00 0.00 0.92 0.00 0.00 114 G 8.45 4.53 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 0.00 0.00 0.00 115 D 8.64 5.21 0.00 2.89 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 0.00 116 I 8.25 4.81 1.82 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 1.18 1.13 0.86 0.00 0.00 117 L 8.56 4.97 0.00 1.77 1.04 1.04 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 118 L 8.25 5.10 0.00 1.51 1.50 0.83 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 119 F 9.22 5.03 0.00 2.90 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 0.00 120 S 8.82 4.67 0.00 3.82 3.86 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 0.00 121 E 8.71 3.75 0.00 2.03 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.29 0.00 122 G 8.37 3.74 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 0.00 0.00 0.00 *124 E 7.71 4.27 0.00 2.29 2.11 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 2.21 1.89 0.00 125 A 8.03 4.31 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 0.00 126 P 0.00 4.01 0.00 1.81 1.10 0.00 3.80 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.91 0.00 127 V 8.22 3.92 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 0.66 0.00 0.00 0.97 0.00 0.00 128 A 7.39 4.80 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 0.00 129 R 8.61 4.98 0.00 1.90 1.84 0.00 2.75 0.00 0.00 3.03 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.49 0.00 130 S 8.82 4.89 0.00 3.70 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 T 8.23 5.21 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 1.21 0.00 0.00 *133 T 8.19 4.49 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 134 Y 8.77 5.16 0.00 2.96 2.90 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 0.00 135 S 9.62 4.82 0.00 3.90 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 0.00 136 I 8.75 4.83 1.90 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 1.30 1.11 0.98 0.00 0.00 137 P 0.00 4.68 0.00 2.20 2.09 0.00 3.89 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 2.00 2.03 0.00 138 P 0.00 4.40 0.00 2.07 2.07 0.00 3.73 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 2.06 2.14 0.00 * Residues marked with a * may have inaccurate shift predictions.