NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.8173 7.8674 118.1762 56.1154 31.0831 174.7209 3 G 3.2619 6.7642 104.7753 42.7943 0.0000 166.4796 4 V 4.2009 7.6536 119.2498 62.0692 33.3529 174.3990 5 K 4.6014 9.0829 128.7105 54.4008 35.5431 174.4215 6 K 4.5279 8.6874 128.2400 55.4317 33.3030 175.7811 7 I 4.1297 8.2490 129.7317 60.3120 36.9090 175.9485 8 K 3.9417 8.9980 127.4284 59.4019 32.5032 177.1475 9 N 4.8091 7.6444 121.6710 49.4019 39.3202 172.0075 10 P 4.2776 0.0000 0.0000 65.3488 31.7277 178.4758 11 S 4.3352 7.9558 110.1940 60.0665 62.8968 175.0218 12 T 4.1365 8.2409 111.8029 63.7370 69.1223 176.3788 13 V 4.4049 7.5787 114.8116 60.7998 32.3219 177.5660 14 K 3.9398 8.1070 121.7530 59.9729 32.0179 178.0087 15 D 4.4663 8.1426 118.3960 57.4904 40.7909 178.2645 16 E 4.0581 8.2702 119.2389 59.2914 29.4664 178.6611 17 L 4.1727 8.1352 118.2218 57.7112 41.8233 178.7294 18 L 4.5307 8.2964 119.5535 58.4777 42.4787 178.3689 19 E 4.4375 8.5795 119.0795 59.2058 29.5436 178.9441 20 L 4.1785 8.1516 117.4030 55.9007 41.8255 178.0428 *22 F 3.8138 8.0406 121.6490 57.5026 41.2262 177.1716 23 R 3.6274 7.8430 119.1906 59.0092 29.6120 179.1581 24 I 4.1612 7.6399 121.0624 63.9180 37.0906 177.5478 25 Y 4.8074 7.7402 121.2419 60.2361 38.4062 178.2896 26 R 3.7993 7.9651 121.1518 58.7348 30.1430 178.6129 27 S 4.1501 8.3186 114.6124 60.5491 62.8562 175.4738 28 T 4.0998 7.8709 112.3499 60.0490 69.3405 174.0331 29 N 3.9751 8.7494 117.3241 55.1209 37.7708 175.0222 30 G 2.9084 8.0689 104.3089 44.8203 0.0000 174.8924 31 K 3.3065 7.3826 120.9106 58.5269 32.3802 176.6015 32 Y 5.0679 7.7467 115.9202 55.1052 41.3045 173.5683 33 P 4.9240 0.0000 0.0000 62.1718 32.3253 176.0490 34 A 4.0890 8.7147 122.6080 52.5892 19.5610 178.0015 35 L 3.8846 7.7863 119.6855 52.7302 41.9589 176.9099 36 E 3.7143 7.5297 120.4883 59.4570 30.2241 179.4259 37 W 4.2507 8.3943 115.9332 59.1942 28.0950 176.4699 38 V 3.5059 6.1494 119.1992 62.1782 30.9741 175.5606 39 K 3.9713 8.6954 129.2964 58.5035 32.3026 176.4229 40 R 4.4164 7.4381 119.3464 53.6298 30.1516 174.2447 41 K 4.1593 8.2143 123.3148 55.0279 32.8859 175.7424 42 P 4.5304 0.0000 0.0000 62.1239 32.2948 175.6843 43 N 4.4460 8.7827 118.5307 53.1612 39.0386 174.0224 44 P 4.3990 0.0000 0.0000 65.0100 31.2224 176.8913 45 N 5.0606 8.2572 114.4278 52.7081 37.6296 175.2448 46 D 4.8208 8.5500 121.2930 52.7675 40.0337 176.0469 47 F 2.9743 8.4088 126.8867 60.5499 39.5657 175.8861 48 N 4.2349 8.2737 115.5348 56.4194 38.2378 177.5098 49 G 3.8364 8.3889 107.8031 46.9928 0.0000 175.3271 50 F 4.0197 8.2218 122.9184 61.1013 39.3640 177.1410 51 R 3.6530 7.8361 118.5891 59.3850 29.5912 177.8149 52 E 3.8507 7.8151 118.0179 59.1039 29.5934 178.5227 53 V 4.0838 7.2554 117.3449 63.6850 32.4434 177.0451 54 Y 4.4745 8.1436 120.0480 59.6362 38.8097 176.6861 55 E 3.8483 8.1840 120.5800 59.1220 29.6556 177.2537 56 P 4.1987 0.0000 0.0000 65.2570 31.3445 178.4138 57 F 4.1138 7.9623 119.0340 61.1766 39.3865 176.4841 58 L 3.4734 7.4192 120.0323 58.0019 41.6111 178.7724 59 K 3.7398 7.9788 119.3032 59.5460 32.0722 178.4458 60 F 4.0740 7.9345 120.6133 61.3276 39.2080 177.3078 61 R 2.9216 7.6669 117.9993 58.7938 29.4148 179.0669 62 L 3.5820 7.3194 118.0103 57.2774 41.6032 178.9841 63 S 4.3673 7.1941 113.5644 59.2965 63.4803 174.9798 64 Q 4.2494 7.6842 117.6642 55.0026 30.8540 175.7525 65 E 4.0948 7.1751 116.8716 57.4781 30.6868 176.1973 66 F 4.6564 7.4288 117.0794 57.7380 39.4351 174.9705 67 D 4.6381 9.0008 125.1240 55.6099 42.2193 177.0267 68 E 4.6535 7.9713 116.7728 54.4273 34.3460 174.1774 69 L 4.9069 8.2410 125.0052 53.4008 45.3039 174.4763 70 Y 5.3549 9.2286 123.9214 56.4710 41.7716 174.6890 71 T 5.1978 8.9505 111.5321 60.2633 73.4684 171.6163 72 Y 4.9479 8.7602 122.7173 55.9407 41.3341 174.3882 73 Q 5.0355 8.5445 124.5802 54.0691 34.0351 174.9752 74 K 4.2493 8.4158 120.7817 55.3616 33.8234 177.1438 75 D 4.3149 7.9833 127.4403 55.9269 39.1440 176.2634 76 N 4.5737 8.8419 125.6855 54.6075 39.0505 174.5449 77 R 4.2874 7.7940 120.5858 55.5186 30.6466 175.1213 78 I 4.3503 8.9805 127.9174 60.9048 37.6861 175.5271 79 I 4.5518 8.5459 117.5812 60.2392 39.2085 175.0532 80 G 4.6345 7.8087 108.4894 45.9571 0.0000 172.5403 81 T 5.4348 8.9038 112.1398 60.4310 72.9610 172.4903 82 I 5.0467 8.8575 119.8643 61.1626 42.2006 172.9145 83 A 5.1867 9.1876 130.3656 50.0341 22.7159 174.6028 84 L 5.3804 9.0821 119.4691 52.9500 45.4078 176.0707 85 V 4.9290 9.1023 122.8260 61.5247 34.0424 175.5147 86 Y 4.9164 9.5269 123.4930 56.7340 40.6723 174.6394 87 K 4.3293 7.7603 120.5832 56.4049 34.6219 176.8030 88 R 3.6308 8.5507 123.3016 57.2815 27.3640 177.4158 89 I 3.7913 7.3516 110.5736 63.2880 38.3122 177.7017 90 K 4.2809 7.8992 118.5937 57.4026 32.1425 176.3762 91 E 4.7954 7.9515 118.7869 56.4981 29.0492 176.0881 92 K 4.4288 7.9670 115.0680 55.6323 33.7171 177.9444 93 G 3.8769 8.3594 106.1743 45.8646 0.0000 173.8280 94 I 2.6352 6.9404 120.8034 60.5346 36.9313 175.9736 95 W 4.6689 7.1246 121.9738 56.2597 29.4765 176.0036 96 W 5.0262 6.6792 115.7435 56.3896 28.1140 176.2360 97 V 4.5550 7.2648 110.7157 59.8049 35.3885 173.3629 98 P 4.5332 0.0000 0.0000 62.4153 32.0477 177.3424 99 E 4.0028 8.6273 119.3905 59.5236 29.5572 178.4688 100 E 4.0513 8.1336 116.6546 57.8055 29.7133 176.6738 101 L 4.2047 7.1954 121.0647 52.5861 41.6981 174.6584 *103 N 4.5604 7.9598 121.8965 51.9101 38.4909 175.6222 104 E 4.1606 8.6059 116.3682 58.4764 29.7021 178.1656 105 K 4.2981 7.9708 117.2694 56.6538 32.8111 175.8068 106 V 4.5512 7.5204 119.8601 61.6533 32.6768 175.3327 107 G 4.3879 9.3970 114.6119 44.4600 0.0000 171.3779 108 L 5.4991 9.5182 124.6956 53.0135 44.5841 175.3928 109 I 4.9575 8.5841 123.8783 59.8969 39.4311 174.8452 110 E 4.6716 8.8843 125.2502 55.3557 34.8049 174.5714 111 F 4.0552 8.9801 118.7004 59.5200 37.8448 174.5117 112 F 5.4977 8.3777 121.4952 57.0957 39.6456 174.6824 113 V 4.1819 8.6638 125.2356 60.3194 35.2942 173.7110 114 V 4.6932 7.7059 120.0418 60.6978 34.6755 174.3700 115 D 4.5150 9.1446 127.8166 54.1974 41.4159 175.6284 116 P 4.3381 0.0000 0.0000 65.7256 31.1684 177.1156 117 E 4.0296 8.9396 117.5029 57.7204 29.6503 176.8653 118 F 4.8239 8.0753 118.4947 56.8420 40.0332 175.6934 119 Q 4.1168 8.0702 118.9772 56.6934 29.4295 176.6571 120 G 4.2303 8.6184 107.7889 47.0833 0.0000 174.2657 121 K 4.3771 7.7074 113.7061 55.5062 33.0680 177.7014 122 G 3.9629 8.1231 108.3607 45.6654 0.0000 175.8207 123 I 3.2561 7.6490 120.8615 64.1729 37.0799 177.9984 124 G 3.9206 8.0536 105.8944 48.1773 0.0000 175.4517 125 S 4.1714 8.0987 117.3516 61.5256 62.8413 176.6402 126 T 3.8879 7.8438 118.2284 66.7473 68.2445 176.5473 127 L 3.9889 7.9059 120.5379 57.7186 41.7349 179.3643 128 L 3.5317 7.8253 120.1597 58.0458 42.0200 178.5645 129 E 3.8913 8.5045 119.6716 59.0782 29.4371 178.4912 130 F 3.9042 8.4395 120.5588 61.1765 39.4435 176.6776 131 A 3.8837 8.3986 120.7498 55.3302 18.1601 179.6449 132 V 3.4031 8.1196 116.7812 65.9410 31.5328 178.1346 133 K 3.7487 7.8151 119.1488 59.4042 32.1281 178.5602 134 R 3.5792 7.6088 119.1538 59.3287 29.9016 178.3126 135 L 3.7553 7.8395 118.5929 57.9902 41.6758 179.6672 136 R 4.0023 7.9228 117.8076 59.3749 29.7036 179.2949 137 S 4.0754 7.7732 113.9467 61.5409 62.9807 176.3251 138 L 4.1580 7.3623 117.1074 54.5875 41.2488 177.0471 139 G 3.8347 7.9707 106.8784 46.8640 0.0000 173.8895 140 K 4.8198 7.8897 117.5503 54.1942 35.4157 176.1632 141 D 4.7768 9.4304 124.8655 52.4482 42.0432 174.2499 142 P 4.8756 0.0000 0.0000 63.1689 32.0862 175.4193 143 Y 4.8858 9.3807 120.5523 56.3708 42.3297 174.7265 144 V 4.9103 8.5203 113.5624 59.6880 36.0695 175.0537 145 V 4.3543 8.4753 122.1125 61.1887 33.5568 174.9500 146 T 4.1873 8.1545 115.8721 59.6008 71.6361 173.7406 147 F 4.9387 8.0799 120.5552 54.7191 39.9883 174.0506 148 P 4.3641 0.0000 0.0000 65.8733 30.9858 178.6277 149 N 4.5813 8.3245 114.6168 55.5670 38.5492 175.3985 150 L 4.4034 8.1067 116.8899 54.6852 42.0051 177.1563 151 E 4.0653 8.4156 121.3368 56.2488 30.9313 176.8454 152 A 3.8882 8.6771 128.8417 55.7004 18.5509 179.4027 153 Y 3.5532 9.0306 115.0098 61.2082 37.8165 178.5303 154 S 4.3625 8.7040 114.9950 62.1114 63.1294 175.8038 155 Y 4.2398 8.1723 120.6954 61.0283 38.5536 177.4973 156 Y 4.1512 7.8557 118.5938 60.7630 39.2175 179.4478 157 Y 4.6520 8.4838 117.7549 58.1261 37.7937 178.2003 *159 K 4.1249 8.0861 120.4127 55.9536 34.0770 176.8334 160 K 4.7918 8.4229 117.6041 56.2953 32.4701 177.3193 161 G 4.2068 8.8446 106.5484 45.3194 0.0000 173.3117 162 F 5.1339 8.1116 117.7311 56.4013 40.4770 175.1881 163 R 4.8106 9.0185 122.4835 54.1645 33.7091 174.0140 164 E 4.7494 8.9660 125.8922 56.2844 30.2176 176.3208 165 I 4.4016 8.4546 117.7267 60.6710 38.8003 175.2258 *167 R 4.0750 7.7259 120.4842 56.6543 31.0562 173.6561 168 Y 4.4595 8.3536 121.1325 55.4111 41.8595 176.4532 169 K 3.9993 8.7172 121.9903 59.1766 32.2611 177.2865 170 E 4.6044 7.8376 114.9983 56.1711 30.5801 174.9511 171 F 4.9586 7.1070 112.1473 55.9143 40.9155 173.2959 172 V 4.7826 8.3392 120.0233 59.9911 34.0363 174.8541 173 I 4.4483 8.5401 124.6056 60.4142 38.7983 174.5603 174 L 5.3821 8.5520 125.4354 52.8074 44.8659 175.5935 175 K 4.8001 9.2905 124.0441 54.4409 35.1639 174.7209 176 F 3.9367 8.8285 129.5361 57.7652 40.2914 174.4377 177 N 4.3852 7.7661 125.2704 51.4974 38.6481 174.2028 178 H 3.8316 8.1124 124.2116 59.0434 30.2063 176.4774 179 K 3.8993 7.9683 118.1294 58.8600 31.8188 178.1110 180 K 4.1822 7.7403 118.6387 58.0872 32.7429 176.4132 181 F 4.3503 8.2420 124.9118 58.4582 39.4711 174.4411 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 E 7.87 4.82 0.00 2.05 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 0.00 2.17 2.27 0.00 3 G 6.76 3.26 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 0.00 0.00 0.00 0.00 4 V 7.65 4.20 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.16 0.00 0.00 0.82 0.00 0.00 5 K 9.08 4.60 0.00 1.71 1.53 0.00 1.64 0.00 0.00 1.77 0.00 0.00 2.75 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.30 1.32 7.81 6 K 8.69 4.53 0.00 2.10 1.77 0.00 2.04 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.26 1.00 7.81 7 I 8.25 4.13 1.83 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 1.41 0.97 0.91 0.00 0.00 8 K 9.00 3.94 0.00 1.84 1.95 0.00 1.51 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.43 7.81 9 N 7.64 4.81 0.00 2.71 2.68 0.00 0.00 7.08 7.71 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 10 P 0.00 4.28 0.00 2.37 2.17 0.00 3.61 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 11 S 7.96 4.34 0.00 3.93 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 12 T 8.24 4.14 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 1.28 0.00 0.00 13 V 7.58 4.40 2.16 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 0.80 0.00 0.00 1.05 0.00 0.00 14 K 8.11 3.94 0.00 1.93 1.86 0.00 1.81 0.00 0.00 1.86 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.56 1.49 7.81 15 D 8.14 4.47 0.00 2.80 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 16 E 8.27 4.06 0.00 2.10 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 2.46 2.48 0.00 17 L 8.14 4.17 0.00 2.17 2.09 1.13 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 18 L 8.30 4.53 0.00 1.95 2.17 1.26 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.58 4.44 0.00 2.33 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 0.00 2.42 2.40 0.00 20 L 8.15 4.18 0.00 1.89 1.97 0.95 0.81 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 *22 F 8.04 3.81 0.00 3.10 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 23 R 7.84 3.63 0.00 2.13 1.90 0.00 3.18 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.97 0.00 24 I 7.64 4.16 1.87 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 1.33 0.18 1.00 0.00 0.00 25 Y 7.74 4.81 0.00 2.55 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 26 R 7.97 3.80 0.00 1.20 1.58 0.00 3.11 0.00 0.00 3.14 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.31 0.00 27 S 8.32 4.15 0.00 3.98 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 28 T 7.87 4.10 4.09 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 1.29 0.00 0.00 29 N 8.75 3.98 0.00 2.70 2.78 0.00 0.00 7.20 9.21 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 30 G 8.07 2.91 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 0.00 0.00 0.00 31 K 7.38 3.31 0.00 1.05 1.06 0.00 1.40 0.00 0.00 0.61 0.00 0.00 2.33 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.30 0.32 7.81 32 Y 7.75 5.07 0.00 2.97 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 33 P 0.00 4.92 0.00 2.42 2.21 0.00 4.06 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.57 0.00 34 A 8.71 4.09 1.12 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 0.00 0.00 35 L 7.79 3.88 0.00 1.37 0.85 0.79 0.81 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 36 E 7.53 3.71 0.00 2.02 2.16 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 2.33 2.37 0.00 37 W 8.39 4.25 0.00 3.20 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 6.15 3.51 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 -0.04 0.00 0.00 39 K 8.70 3.97 0.00 1.73 1.78 0.00 1.76 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.34 7.81 40 R 7.44 4.42 0.00 1.72 1.78 0.00 3.33 0.00 0.00 3.20 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.66 0.00 41 K 8.21 4.16 0.00 1.85 1.89 0.00 1.86 0.00 0.00 1.80 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.38 7.81 42 P 0.00 4.53 0.00 2.34 2.11 0.00 3.86 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 2.13 1.94 0.00 43 N 8.78 4.45 0.00 2.90 2.85 0.00 0.00 6.68 7.71 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 44 P 0.00 4.40 0.00 2.08 1.93 0.00 3.72 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.89 0.00 45 N 8.26 5.06 0.00 2.93 2.96 0.00 0.00 5.92 8.06 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 46 D 8.55 4.82 0.00 2.84 2.94 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 47 F 8.41 2.97 0.00 2.03 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 48 N 8.27 4.23 0.00 2.96 2.86 0.00 0.00 6.97 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 49 G 8.39 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 50 F 8.22 4.02 0.00 3.09 2.97 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 51 R 7.84 3.65 0.00 1.17 1.64 0.00 3.18 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 52 E 7.82 3.85 0.00 2.14 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 2.32 2.37 0.00 53 V 7.26 4.08 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 0.78 0.00 0.00 1.10 0.00 0.00 54 Y 8.14 4.47 0.00 2.40 2.23 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 55 E 8.18 3.85 0.00 2.06 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 2.30 2.40 0.00 56 P 0.00 4.20 0.00 2.17 2.04 0.00 3.69 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.12 0.00 57 F 7.96 4.11 0.00 2.72 2.97 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 58 L 7.42 3.47 0.00 1.19 1.56 1.08 0.74 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 59 K 7.98 3.74 0.00 1.95 1.91 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.41 7.81 60 F 7.93 4.07 0.00 3.05 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 61 R 7.67 2.92 0.00 0.97 0.66 0.00 3.02 0.00 0.00 2.59 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.50 0.00 62 L 7.32 3.58 0.00 1.37 1.59 0.88 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 63 S 7.19 4.37 0.00 3.61 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 64 Q 7.68 4.25 0.00 0.93 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.75 0.00 0.00 0.00 0.00 0.00 2.06 2.38 0.00 65 E 7.18 4.09 0.00 1.34 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 2.28 2.26 0.00 66 F 7.43 4.66 0.00 2.87 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 67 D 9.00 4.64 0.00 2.16 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 0.00 0.00 0.00 68 E 7.97 4.65 0.00 2.03 1.66 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 2.36 2.50 0.00 69 L 8.24 4.91 0.00 1.72 1.41 1.07 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 70 Y 9.23 5.35 0.00 2.95 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 71 T 8.95 5.20 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 1.30 0.00 0.00 72 Y 8.76 4.95 0.00 3.10 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 73 Q 8.54 5.04 0.00 1.87 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.51 0.00 0.00 0.00 0.00 0.00 2.24 2.23 0.00 74 K 8.42 4.25 0.00 1.73 1.71 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.34 1.23 7.81 75 D 7.98 4.31 0.00 2.82 1.96 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 76 N 8.84 4.57 0.00 2.71 2.86 0.00 0.00 6.71 7.66 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 77 R 7.79 4.29 0.00 1.90 1.93 0.00 3.15 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 78 I 8.98 4.35 1.99 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.81 0.98 0.00 0.00 79 I 8.55 4.55 1.51 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.26 0.61 0.00 0.00 80 G 7.81 4.63 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 0.00 81 T 8.90 5.43 4.41 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 1.27 0.00 0.00 82 I 8.86 5.05 2.04 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 2.18 1.08 0.00 0.00 83 A 9.19 5.19 0.19 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 0.00 0.00 0.00 0.00 0.00 0.00 84 L 9.08 5.38 0.00 1.79 1.87 1.18 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 85 V 9.10 4.93 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 1.07 0.00 0.00 1.25 0.00 0.00 86 Y 9.53 4.92 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 87 K 7.76 4.33 0.00 1.78 1.64 0.00 1.71 0.00 0.00 1.41 0.00 0.00 2.67 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 0.88 7.81 88 R 8.55 3.63 0.00 1.86 1.91 0.00 3.28 0.00 0.00 3.38 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.52 0.00 89 I 7.35 3.79 1.82 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 1.40 0.48 0.92 0.00 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8.05 3.92 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 0.00 0.00 0.00 125 S 8.10 4.17 0.00 4.01 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 0.00 126 T 7.84 3.89 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 1.32 0.00 0.00 127 L 7.91 3.99 0.00 2.00 1.77 1.13 0.68 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 0.00 128 L 7.83 3.53 0.00 1.23 1.50 0.54 0.68 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 0.00 129 E 8.50 3.89 0.00 2.21 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 130 F 8.44 3.90 0.00 3.18 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 0.00 131 A 8.40 3.88 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 V 8.12 3.40 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.89 0.00 0.00 133 K 7.82 3.75 0.00 1.85 1.62 0.00 1.57 0.00 0.00 1.48 0.00 0.00 2.83 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.25 1.32 7.81 134 R 7.61 3.58 0.00 1.21 1.77 0.00 3.05 0.00 0.00 3.00 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.61 0.00 135 L 7.84 3.76 0.00 1.97 1.62 0.90 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 136 R 7.92 4.00 0.00 1.91 1.91 0.00 3.05 0.00 0.00 3.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.72 0.00 137 S 7.77 4.08 0.00 3.88 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 0.00 138 L 7.36 4.16 0.00 1.48 1.41 0.81 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 139 G 7.97 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 0.00 140 K 7.89 4.82 0.00 1.67 1.81 0.00 1.98 0.00 0.00 1.80 0.00 0.00 2.88 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.41 1.39 7.81 141 D 9.43 4.78 0.00 2.84 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.88 0.00 2.00 2.01 0.00 3.60 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 1.85 1.91 0.00 143 Y 9.38 4.89 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 0.00 144 V 8.52 4.91 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 0.77 0.00 0.00 0.96 0.00 0.00 145 V 8.48 4.35 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 0.90 0.00 0.00 1.27 0.00 0.00 146 T 8.15 4.19 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 0.00 147 F 8.08 4.94 0.00 3.21 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 0.00 148 P 0.00 4.36 0.00 2.32 2.43 0.00 3.89 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.12 0.00 149 N 8.32 4.58 0.00 2.85 3.05 0.00 0.00 6.92 7.85 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 0.00 150 L 8.11 4.40 0.00 2.00 1.64 0.98 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 151 E 8.42 4.07 0.00 2.24 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 2.42 2.60 0.00 152 A 8.68 3.89 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 Y 9.03 3.55 0.00 3.38 3.14 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 0.00 0.00 0.00 0.00 154 S 8.70 4.36 0.00 4.14 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 Y 8.17 4.24 0.00 3.06 3.03 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 0.00 156 Y 7.86 4.15 0.00 3.03 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 0.00 157 Y 8.48 4.65 0.00 3.18 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 *159 K 8.09 4.12 0.00 1.70 1.70 0.00 1.51 0.00 0.00 1.38 0.00 0.00 2.77 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.90 0.82 7.81 160 K 8.42 4.79 0.00 2.17 2.13 0.00 1.53 0.00 0.00 1.45 0.00 0.00 2.64 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.45 1.54 7.81 161 G 8.84 4.21 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 0.00 162 F 8.11 5.13 0.00 3.19 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 0.00 163 R 9.02 4.81 0.00 1.80 1.74 0.00 3.28 0.00 0.00 3.14 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.69 0.00 164 E 8.97 4.75 0.00 2.10 1.90 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 2.37 2.32 0.00 165 I 8.45 4.40 1.92 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.94 0.96 0.00 0.00 *167 R 7.73 4.07 0.00 1.96 1.83 0.00 3.15 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.66 0.00 168 Y 8.35 4.46 0.00 1.58 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 0.00 0.00 0.00 0.00 169 K 8.72 4.00 0.00 1.71 1.86 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.48 7.81 170 E 7.84 4.60 0.00 2.22 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 0.00 2.30 2.34 0.00 171 F 7.11 4.96 0.00 3.24 3.13 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 0.00 172 V 8.34 4.78 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 0.92 0.00 0.00 1.04 0.00 0.00 173 I 8.54 4.45 2.04 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.04 0.99 0.00 0.00 174 L 8.55 5.38 0.00 1.45 1.73 1.05 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 175 K 9.29 4.80 0.00 1.82 1.67 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.83 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.39 7.81 176 F 8.83 3.94 0.00 1.72 2.63 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 0.00 177 N 7.77 4.39 0.00 2.54 2.41 0.00 0.00 6.45 7.33 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 0.00 178 H 8.11 3.83 0.00 3.20 3.27 0.00 5.82 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 K 7.97 3.90 0.00 1.86 1.82 0.00 1.76 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.45 7.81 180 K 7.74 4.18 0.00 1.70 1.93 0.00 1.75 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.38 7.81 181 F 8.24 4.35 0.00 2.86 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 * Residues marked with a * may have inaccurate shift predictions.