NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 L 4.2368 8.1693 120.6381 54.6817 43.3396 176.1562 5 T 3.5002 7.9894 108.3035 61.2751 69.2795 169.2611 6 E 4.0418 8.6435 122.0591 59.0144 30.3656 180.2517 7 E 3.9773 8.1609 119.4273 59.2268 29.6196 178.7288 8 Q 3.9277 7.8524 117.5020 59.0270 28.7812 178.3749 9 I 3.9841 7.5658 120.4913 64.6506 37.1318 178.2304 10 A 4.0164 8.0526 121.0093 55.5221 18.1372 179.6524 11 E 3.8834 7.9547 116.8770 59.7999 29.7229 179.3092 12 F 4.5245 8.2207 117.9673 60.7170 38.8770 177.9527 13 K 4.3828 8.5868 119.2043 59.4434 32.1918 178.1662 14 E 3.9498 8.5396 119.9280 59.5386 29.3757 178.9025 15 A 4.1216 8.5380 120.6312 55.2909 18.6062 179.3115 16 F 3.1527 8.4376 119.3981 61.2321 39.2190 177.4273 17 S 4.5695 8.5103 112.5026 60.7203 62.9060 176.0497 18 L 4.0287 8.1740 122.9928 57.7940 41.4242 179.0740 19 F 3.9485 7.4731 115.9442 59.8730 40.5022 176.8177 20 D 4.6267 8.1030 119.6495 52.6325 37.3466 176.6477 21 K 3.8739 8.2855 121.8653 59.0526 32.3269 177.7817 22 D 4.4249 7.6098 118.4445 51.5902 39.9152 174.3190 23 G 3.6864 7.8173 111.7796 44.3063 0.0000 173.0556 24 D 4.6655 8.5789 118.6266 52.1781 39.6245 176.2448 25 G 4.3082 8.5835 105.7422 46.8984 0.0000 173.4123 26 T 5.1015 8.5057 107.7927 59.6385 72.4253 173.1370 27 I 4.4684 8.7357 123.8825 59.8649 39.8063 175.6752 28 T 4.7244 8.3476 117.5425 60.2945 71.2256 175.7898 29 T 3.8388 8.5769 112.1840 64.9430 68.2234 176.2225 30 K 3.9149 7.9424 121.7338 59.4852 32.5167 178.5842 31 E 4.0186 8.1579 118.6709 59.2128 29.3990 179.2875 32 L 4.5277 8.4664 119.7403 57.6905 41.6240 179.6456 33 G 3.6917 8.1220 105.7124 48.2414 0.0000 175.8101 34 T 3.8519 7.6885 118.3685 66.1583 68.1916 176.8788 35 V 3.4918 7.1213 117.7667 65.7660 31.9592 177.2734 36 M 4.1821 8.0490 117.9313 59.0238 32.0349 178.4734 37 R 4.7026 8.1223 119.3289 58.8808 29.9775 179.1138 38 S 4.2406 7.8552 113.8320 60.4265 62.7220 175.2971 39 L 4.6308 7.4888 121.0355 54.1973 41.9630 176.9370 40 G 3.8448 7.8849 105.6043 46.4012 0.0000 174.2205 41 Q 4.5455 7.7103 118.4211 54.2680 31.3488 174.6732 42 N 5.0486 8.0997 114.9151 52.0250 38.9178 172.5593 43 P 4.6368 0.0000 0.0000 62.1487 32.8498 177.3837 44 T 4.2628 8.1779 111.3398 61.1423 71.0826 175.4924 45 E 3.9205 8.7062 120.5883 59.7052 29.5684 179.4528 46 A 3.9695 8.0281 120.1439 55.2074 18.1539 179.1667 47 E 3.9366 8.0665 117.3449 59.2021 29.7408 178.8512 48 L 4.0716 8.2433 119.5163 57.8699 41.7062 179.3678 49 Q 3.9316 8.3916 119.6649 59.1099 29.0459 177.4167 50 D 4.3453 7.9186 118.6523 57.8668 40.9665 178.2653 51 M 4.0512 7.8263 117.6023 58.6374 32.3803 178.5975 52 I 3.8920 7.6436 119.3888 64.3426 37.1312 178.2750 53 N 4.4082 8.1672 117.5077 56.0194 38.1586 176.9426 54 E 3.9930 8.0974 120.1139 58.4534 29.5930 177.8379 55 V 4.3342 7.3039 108.6642 61.0174 33.3763 176.3038 56 D 4.7198 7.7376 122.3271 52.4883 39.4997 176.7733 57 A 4.0073 7.9450 124.6984 54.7680 19.0041 178.3926 58 D 4.7686 7.9956 111.7178 52.2041 39.5547 176.4146 59 G 4.0586 7.6743 106.5839 47.1956 0.0000 173.9582 60 N 4.6562 8.1734 112.2990 51.6959 37.5795 175.6744 61 G 3.9170 8.5743 105.8604 46.4144 0.0000 173.3602 62 T 4.6689 7.8298 107.9059 59.6626 72.0789 173.1751 63 I 4.6064 8.3910 122.5929 59.6979 38.4740 176.0444 64 D 5.1498 9.0111 127.1124 52.0836 42.6478 176.9469 65 F 3.8533 8.5786 120.1412 60.9193 39.1991 175.2136 66 P 4.3224 0.0000 0.0000 65.9035 31.0652 178.0762 67 E 3.8994 8.4957 118.3914 59.0985 29.3354 179.1948 68 F 4.0069 8.3264 120.5112 61.3358 39.5383 176.9938 69 L 3.2505 7.3267 118.4337 58.1420 41.4493 179.9264 70 T 3.7075 7.8231 115.4042 66.7980 68.4059 176.3879 71 M 3.8908 7.9946 120.2451 58.8175 32.0563 178.2935 72 M 3.8293 8.0287 118.8632 58.0444 32.1567 178.3394 73 A 3.9493 7.7506 120.9289 55.3922 18.5776 179.6629 74 R 3.8109 7.7769 116.8713 59.5686 30.0298 178.8211 75 K 4.0782 8.1341 118.1194 59.2432 31.9637 179.3727 76 M 4.0607 8.3554 119.7850 58.1701 31.8653 178.6620 77 K 3.9632 8.0900 119.8954 59.4177 32.3441 178.6228 78 D 4.3598 8.1690 119.2367 57.6318 40.7414 178.8409 79 T 3.8660 8.1516 116.3467 66.7454 68.4949 176.2242 80 D 4.3538 8.3260 120.8982 57.4676 40.9206 178.6782 81 S 4.0894 8.4088 113.7993 61.5534 62.2975 175.7667 82 E 3.9741 8.3100 121.7385 59.5505 29.3329 178.7018 83 E 4.0057 8.4137 118.5360 59.2573 29.4902 179.2149 84 E 3.9958 8.3956 118.6697 59.5047 29.5240 179.2563 85 I 3.9503 7.7538 119.7256 64.5933 37.2327 178.3125 86 R 4.0624 8.4449 119.5786 59.6065 29.8183 178.0860 87 E 3.9406 8.5391 118.8697 59.3163 29.7767 178.6104 88 A 3.8642 8.2885 120.8269 54.9612 18.3701 179.3013 89 F 3.4983 8.5351 119.4549 61.3792 39.2141 177.3946 90 R 3.8692 7.9102 117.0874 59.4091 29.9541 178.2750 91 V 3.5813 7.6767 117.4308 65.8969 31.4705 177.6780 92 F 4.6713 7.3965 116.3640 59.2576 40.4596 176.5398 93 D 4.4656 7.7579 119.8342 52.6948 38.0071 176.6742 94 K 3.9985 8.0340 122.3477 58.5908 32.7803 177.8334 95 D 4.5478 8.1610 115.5468 52.9433 39.6817 177.2992 96 G 3.9128 8.0398 107.8724 46.0368 0.0000 173.9149 97 N 4.6335 8.4891 115.1015 52.5214 38.0434 176.0298 98 G 4.0003 9.6783 108.4196 45.5083 0.0000 172.2789 99 Y 5.0472 7.4552 115.5256 56.1162 41.9156 174.7058 100 I 4.4226 9.0617 125.7067 60.4738 38.9699 175.8171 101 S 4.9500 8.7327 121.8618 56.6389 65.5640 175.2985 102 A 3.9409 8.5835 121.0500 55.3269 18.0640 179.7102 103 A 3.9547 7.9107 118.7721 55.0554 18.6406 179.5394 104 E 3.9151 8.2526 117.3062 59.5610 29.5625 179.3761 105 L 3.7096 7.7365 120.0349 57.9497 42.0634 178.9450 106 R 3.8733 8.3077 119.1458 59.6989 30.0636 177.9737 107 H 4.1981 8.2319 118.0331 59.0740 29.7882 177.5006 108 V 3.6494 7.7949 119.6110 66.2276 31.5457 177.9104 109 M 4.1447 8.1018 118.4402 58.8647 31.5640 178.9830 110 T 3.9331 7.9429 114.9674 66.3834 68.6614 175.9943 111 N 4.4004 7.8763 118.0556 56.8742 39.1470 176.7216 112 L 4.2068 7.8322 118.4114 55.1229 41.9712 177.1517 113 G 3.9013 8.4026 106.8421 46.2382 0.0000 175.5842 114 E 4.0394 8.8128 118.6967 57.6997 30.2437 179.0035 *121 V 4.0808 8.7521 125.0760 63.6921 33.1635 177.4493 122 D 4.2455 8.1041 114.6235 55.6484 41.3077 176.8711 123 E 4.7868 8.1926 113.0876 55.6411 32.0101 177.2593 124 M 4.1410 8.3862 120.6827 58.7897 32.4856 177.8721 125 I 3.8288 7.7507 119.8195 64.4502 37.4884 177.9256 126 R 3.9062 7.9065 118.8239 59.7350 29.6683 178.2458 127 E 4.0227 7.7163 115.5662 58.9548 29.5104 178.5738 128 A 4.3342 7.8538 119.3903 52.9653 20.2821 178.1226 129 D 4.9271 7.7498 118.5637 53.1674 38.7580 176.5403 130 I 3.8135 7.8615 124.1651 63.5488 37.8129 176.9008 131 D 4.4964 8.9280 117.9294 53.1366 39.5708 177.1903 132 G 3.9114 7.9818 107.6756 46.3152 0.0000 174.1397 133 D 4.4534 8.4648 117.6307 53.5469 39.5694 177.4814 134 G 3.9635 9.6351 109.4625 45.3084 0.0000 172.5430 135 Q 4.5559 8.0327 115.9028 55.0330 32.6143 174.1282 136 V 4.6961 8.6749 119.2623 61.2383 33.3395 175.2286 137 N 5.1491 9.4299 126.4092 51.6933 38.8695 175.6047 138 Y 3.4812 8.6292 119.2834 60.8777 38.4959 178.1082 139 E 3.6711 8.0956 118.6551 59.4547 29.6242 179.0161 140 E 4.0635 8.9182 119.0076 59.2152 29.3887 179.3154 141 F 4.2008 8.4487 120.9866 61.1660 39.6532 177.1618 142 V 3.3435 7.9028 118.3322 66.0593 31.1736 177.6494 143 Q 3.8603 8.2578 119.4038 59.5539 28.6873 178.0841 144 M 4.0060 7.9088 117.8801 58.7587 32.3225 177.6808 145 M 4.0788 7.8818 117.6660 57.3352 32.1919 177.7356 146 T 4.2874 7.3860 114.2702 64.7008 70.2595 177.3950 147 A 4.3109 8.4214 119.1187 51.6098 19.1162 178.4078 *156 A 4.3107 8.5695 119.9037 54.5228 20.4623 179.0163 157 R 3.9121 7.9191 115.1980 59.2277 30.4049 178.3363 158 K 3.8849 8.0535 118.1850 60.4716 32.2394 178.0560 159 E 3.9385 8.0467 119.9967 58.6380 29.5456 178.5630 160 V 3.5835 8.4372 118.8508 66.0954 31.5269 178.0638 161 I 3.7241 7.7955 119.4581 64.5204 36.8815 178.6884 162 R 3.9509 7.8206 118.5023 59.3341 29.7358 178.8842 163 N 4.3591 8.5216 116.6218 56.0788 38.4483 177.7362 164 K 4.0542 8.3165 120.3000 59.5090 32.2139 179.4516 165 I 3.8855 7.9863 120.0721 64.5810 37.0270 178.4006 166 R 3.9687 8.2972 118.8169 59.6604 29.8476 178.9070 167 A 4.0535 7.7968 120.2156 54.8301 18.3653 179.6208 168 I 3.7248 7.8235 118.7147 64.6433 37.3622 178.7115 169 G 3.7110 8.2288 106.3392 47.6435 0.0000 175.4978 170 K 3.9596 8.2883 122.0966 59.7026 32.3678 178.7116 171 M 4.1958 8.4938 119.0686 58.3581 31.6275 178.5046 172 A 4.0400 7.9599 120.0387 55.2653 18.6336 179.4472 173 R 3.9760 7.6455 115.1144 59.7485 30.3536 178.7184 174 V 3.6063 7.9421 116.5904 64.7186 31.6890 176.6440 175 F 4.9009 7.8448 117.2865 56.3027 40.2334 175.5482 176 S 4.1667 7.9585 118.0502 58.8422 62.2120 173.2397 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 4 L 8.17 4.24 0.00 1.74 1.84 1.10 0.66 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 5 T 7.99 3.50 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 1.23 0.00 0.00 6 E 8.64 4.04 0.00 2.05 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 2.41 2.38 0.00 7 E 8.16 3.98 0.00 2.03 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 2.33 2.54 0.00 8 Q 7.85 3.93 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.56 0.00 0.00 0.00 0.00 0.00 2.39 2.85 0.00 9 I 7.57 3.98 1.96 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.93 1.01 0.00 0.00 10 A 8.05 4.02 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 E 7.95 3.88 0.00 1.85 1.86 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 2.28 2.63 0.00 12 F 8.22 4.52 0.00 3.55 3.30 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 13 K 8.59 4.38 0.00 2.01 2.08 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.52 1.49 7.81 14 E 8.54 3.95 0.00 2.43 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 15 A 8.54 4.12 1.79 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 0.00 0.00 16 F 8.44 3.15 0.00 2.68 3.21 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 17 S 8.51 4.57 0.00 4.13 4.14 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 18 L 8.17 4.03 0.00 1.78 1.45 0.79 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 19 F 7.47 3.95 0.00 2.75 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 20 D 8.10 4.63 0.00 1.93 2.45 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 0.00 21 K 8.29 3.87 0.00 1.94 1.84 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.47 7.81 22 D 7.61 4.42 0.00 2.77 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.82 3.69 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 0.00 0.00 0.00 24 D 8.58 4.67 0.00 2.81 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 25 G 8.58 4.31 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 0.00 26 T 8.51 5.10 4.32 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 1.37 0.00 0.00 27 I 8.74 4.47 1.88 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.24 0.85 0.00 0.00 28 T 8.35 4.72 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 1.22 0.00 0.00 29 T 8.58 3.84 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 1.22 0.00 0.00 30 K 7.94 3.91 0.00 1.85 1.84 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.53 7.81 31 E 8.16 4.02 0.00 2.22 2.19 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 2.31 2.34 0.00 32 L 8.47 4.53 0.00 1.73 1.80 0.92 0.96 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 33 G 8.12 3.69 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 0.00 0.00 0.00 34 T 7.69 3.85 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 1.17 0.00 0.00 35 V 7.12 3.49 1.80 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 0.10 0.00 0.00 0.64 0.00 0.00 36 M 8.05 4.18 0.00 2.17 2.34 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.64 0.00 37 R 8.12 4.70 0.00 1.88 1.96 0.00 3.19 0.00 0.00 3.26 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.65 0.00 38 S 7.86 4.24 0.00 3.96 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 39 L 7.49 4.63 0.00 1.64 1.67 0.95 0.91 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 40 G 7.88 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 41 Q 7.71 4.55 0.00 2.30 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 7.02 0.00 0.00 0.00 0.00 0.00 2.38 2.33 0.00 42 N 8.10 5.05 0.00 2.59 2.68 0.00 0.00 6.99 7.69 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 43 P 0.00 4.64 0.00 2.23 2.09 0.00 3.43 0.00 0.00 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.94 0.00 44 T 8.18 4.26 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 1.21 0.00 0.00 45 E 8.71 3.92 0.00 2.00 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 2.41 2.34 0.00 46 A 8.03 3.97 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 47 E 8.07 3.94 0.00 2.08 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 2.31 2.35 0.00 48 L 8.24 4.07 0.00 1.83 1.72 0.99 0.81 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 49 Q 8.39 3.93 0.00 2.29 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 50 D 7.92 4.35 0.00 2.86 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 51 M 7.83 4.05 0.00 2.02 2.30 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.58 0.00 52 I 7.64 3.89 2.00 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 1.52 0.99 0.95 0.00 0.00 53 N 8.17 4.41 0.00 2.81 2.85 0.00 0.00 6.60 7.23 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 54 E 8.10 3.99 0.00 2.15 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 2.30 2.39 0.00 55 V 7.30 4.33 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 0.67 0.00 0.00 0.96 0.00 0.00 56 D 7.74 4.72 0.00 2.90 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 A 7.95 4.01 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 58 D 8.00 4.77 0.00 2.82 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 59 G 7.67 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 N 8.17 4.66 0.00 2.89 2.92 0.00 0.00 6.79 6.88 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 61 G 8.57 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 62 T 7.83 4.67 4.44 0.00 0.00 0.00 0.00 0.00 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 63 I 8.39 4.61 2.01 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 1.37 0.81 1.04 0.00 0.00 64 D 9.01 5.15 0.00 3.03 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 65 F 8.58 3.85 0.00 2.62 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 66 P 0.00 4.32 0.00 2.32 2.35 0.00 3.94 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.11 0.00 67 E 8.50 3.90 0.00 2.40 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.56 0.00 68 F 8.33 4.01 0.00 3.15 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 7.33 3.25 0.00 1.75 1.44 0.24 0.68 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 70 T 7.82 3.71 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 1.14 0.00 0.00 71 M 7.99 3.89 0.00 1.92 1.93 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.36 0.00 72 M 8.03 3.83 0.00 2.06 1.87 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.76 0.00 73 A 7.75 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 74 R 7.78 3.81 0.00 1.94 2.02 0.00 3.04 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 75 K 8.13 4.08 0.00 1.77 1.81 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.56 7.81 76 M 8.36 4.06 0.00 2.06 2.23 0.00 0.00 0.00 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.56 0.00 77 K 8.09 3.96 0.00 1.84 1.97 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.47 7.81 78 D 8.17 4.36 0.00 2.90 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 79 T 8.15 3.87 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 1.22 0.00 0.00 80 D 8.33 4.35 0.00 2.85 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 81 S 8.41 4.09 0.00 3.85 4.02 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 82 E 8.31 3.97 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 2.41 2.44 0.00 83 E 8.41 4.01 0.00 2.31 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 84 E 8.40 4.00 0.00 2.19 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 2.44 2.39 0.00 85 I 7.75 3.95 2.23 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 1.42 0.70 1.09 0.00 0.00 86 R 8.44 4.06 0.00 2.14 2.24 0.00 2.83 0.00 0.00 2.86 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 87 E 8.54 3.94 0.00 2.42 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 2.34 2.39 0.00 88 A 8.29 3.86 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 F 8.54 3.50 0.00 3.09 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 R 7.91 3.87 0.00 2.07 2.15 0.00 3.31 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 91 V 7.68 3.58 1.84 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 0.51 0.00 0.00 0.81 0.00 0.00 92 F 7.40 4.67 0.00 2.92 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 93 D 7.76 4.47 0.00 2.08 2.33 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 94 K 8.03 4.00 0.00 1.79 1.87 0.00 1.83 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.60 1.42 7.81 95 D 8.16 4.55 0.00 2.77 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 96 G 8.04 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 0.00 0.00 0.00 97 N 8.49 4.63 0.00 2.98 3.00 0.00 0.00 7.06 6.27 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 98 G 9.68 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 107 H 8.23 4.20 0.00 3.47 3.46 0.00 5.83 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 V 7.79 3.65 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 1.17 0.00 0.00 1.13 0.00 0.00 109 M 8.10 4.14 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.85 0.00 110 T 7.94 3.93 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 1.22 0.00 0.00 111 N 7.88 4.40 0.00 2.65 3.02 0.00 0.00 7.30 7.07 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 0.00 112 L 7.83 4.21 0.00 1.71 1.72 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 113 G 8.40 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 0.00 114 E 8.81 4.04 0.00 2.01 1.79 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 2.36 2.33 0.00 *121 V 8.75 4.08 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.90 0.00 0.00 122 D 8.10 4.25 0.00 2.73 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 0.00 123 E 8.19 4.79 0.00 2.14 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 2.10 2.18 0.00 124 M 8.39 4.14 0.00 2.08 2.11 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 2.56 2.60 0.00 125 I 7.75 3.83 1.87 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.05 0.96 0.00 0.00 126 R 7.91 3.91 0.00 1.87 1.93 0.00 3.18 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 127 E 7.72 4.02 0.00 2.03 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 2.32 2.50 0.00 128 A 7.85 4.33 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 0.00 129 D 7.75 4.93 0.00 2.95 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 0.00 130 I 7.86 3.81 1.89 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 1.48 0.92 0.92 0.00 0.00 131 D 8.93 4.50 0.00 2.76 2.81 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 0.00 132 G 7.98 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 0.00 0.00 0.00 133 D 8.46 4.45 0.00 2.77 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 0.00 134 G 9.64 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 0.00 135 Q 8.03 4.56 0.00 2.25 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.71 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 136 V 8.67 4.70 2.21 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 1.14 0.00 0.00 1.01 0.00 0.00 137 N 9.43 5.15 0.00 2.77 3.18 0.00 0.00 6.44 7.17 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 0.00 138 Y 8.63 3.48 0.00 2.34 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 0.00 139 E 8.10 3.67 0.00 2.16 1.92 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 2.34 2.39 0.00 140 E 8.92 4.06 0.00 2.25 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 2.37 2.50 0.00 141 F 8.45 4.20 0.00 3.46 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 0.00 142 V 7.90 3.34 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.12 0.00 0.00 143 Q 8.26 3.86 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.57 0.00 0.00 0.00 0.00 0.00 2.31 2.48 0.00 144 M 7.91 4.01 0.00 2.01 2.03 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.65 0.00 145 M 7.88 4.08 0.00 1.86 1.90 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.99 0.00 146 T 7.39 4.29 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 1.17 0.00 0.00 147 A 8.42 4.31 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 *156 A 8.57 4.31 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 R 7.92 3.91 0.00 1.86 1.93 0.00 3.39 0.00 0.00 3.39 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.63 0.00 158 K 8.05 3.88 0.00 2.05 2.09 0.00 1.44 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.50 1.60 7.81 159 E 8.05 3.94 0.00 2.09 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 2.37 2.42 0.00 160 V 8.44 3.58 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 1.08 0.00 0.00 0.96 0.00 0.00 161 I 7.80 3.72 2.09 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 1.54 0.66 0.92 0.00 0.00 162 R 7.82 3.95 0.00 1.98 1.95 0.00 3.11 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 163 N 8.52 4.36 0.00 2.87 2.88 0.00 0.00 7.04 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 K 8.32 4.05 0.00 1.99 2.06 0.00 1.73 0.00 0.00 1.67 0.00 0.00 3.06 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.70 1.66 7.81 165 I 7.99 3.89 2.10 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.06 1.26 0.00 0.00 166 R 8.30 3.97 0.00 2.13 2.04 0.00 3.27 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 167 A 7.80 4.05 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 0.00 168 I 7.82 3.72 2.10 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.77 0.68 0.00 0.00 169 G 8.23 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 0.00 170 K 8.29 3.96 0.00 2.10 1.93 0.00 1.68 0.00 0.00 1.67 0.00 0.00 3.15 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.73 7.81 171 M 8.49 4.20 0.00 2.14 2.23 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.85 0.00 172 A 7.96 4.04 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 0.00 173 R 7.65 3.98 0.00 1.99 2.20 0.00 3.41 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 174 V 7.94 3.61 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 0.49 0.00 0.00 0.93 0.00 0.00 175 F 7.84 4.90 0.00 3.08 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 0.00 176 S 7.96 4.17 0.00 4.05 3.67 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 * Residues marked with a * may have inaccurate shift predictions.