NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 K 4.2559 8.3144 120.1293 55.8942 33.5315 175.2529 11 S 3.9758 8.4289 117.9409 56.1973 62.8246 172.7675 12 K 3.9884 8.7234 126.6088 58.1221 33.5272 176.3422 13 F 5.0752 7.5510 119.2086 56.2748 40.8080 175.7342 14 R 4.4715 9.2173 123.4031 58.0103 31.8721 176.7116 15 R 5.2035 8.0065 115.7700 54.7726 35.0826 174.2206 16 I 4.5418 8.1095 122.8732 59.4578 40.8234 174.0737 17 C 4.5197 8.3574 128.2017 58.4951 32.6250 172.1194 18 V 4.5909 8.3523 127.0107 61.1750 32.8688 174.6425 19 F 5.3164 8.5217 127.2483 56.4878 41.2195 174.7133 20 C 5.0016 8.5174 115.8573 57.2408 31.1266 173.4224 21 G 3.7203 8.1361 106.9950 46.8973 0.0000 175.1247 22 S 4.2831 9.0319 121.2808 60.1573 63.6062 174.0137 23 S 4.9052 7.3084 115.6655 56.8633 63.5184 174.5852 24 Q 4.0400 8.5561 123.1681 56.3328 29.0152 177.4085 25 G 4.0734 7.5763 102.2794 45.4562 0.0000 173.4304 26 K 4.3557 8.4377 115.9202 56.0519 32.9317 176.9350 27 K 4.4438 7.5443 119.5821 53.9874 34.4575 177.0899 28 S 4.5648 8.8221 119.5146 60.4028 62.2851 176.1480 29 S 4.0432 7.8044 116.9568 61.9186 62.6330 176.0515 30 Y 4.3814 7.4055 119.6911 60.6109 37.4139 178.2229 31 Q 4.0706 7.9221 118.8696 58.9947 28.8445 178.1342 32 D 4.3748 8.6134 120.1942 56.9549 40.7996 178.6689 33 A 3.9701 7.9547 120.8890 55.0470 18.4468 179.3772 34 A 3.9185 7.8324 118.8193 55.3644 18.4630 180.0305 35 V 3.5185 7.5755 116.3471 66.2831 31.5985 177.9637 36 D 4.3515 8.3562 118.8846 57.2690 40.6655 178.4664 37 L 4.0347 8.5865 121.3091 58.0523 42.0715 179.2166 38 G 3.6023 8.1218 105.5652 48.0913 0.0000 175.4943 39 N 4.4302 8.2954 118.9894 55.5487 38.4273 177.2826 40 E 3.9246 8.2574 121.2723 59.0969 29.7627 178.8042 41 L 3.9667 7.9369 119.0874 57.7448 41.6742 179.5094 42 V 3.5866 7.8118 118.4081 66.0755 31.2084 178.2618 43 S 4.1559 8.0358 112.7706 61.4617 63.0531 175.9006 44 R 4.1807 7.9356 118.3135 55.3152 30.1151 175.9253 45 N 4.2462 7.8033 114.8199 54.6853 36.4686 173.9139 46 I 4.5925 8.0899 117.8462 59.7285 39.7095 176.2432 47 D 4.7586 8.7417 126.1352 53.6093 43.2195 174.7101 48 L 4.8466 8.6483 121.6340 53.4670 44.4263 175.0491 49 V 4.9780 8.4978 126.7284 61.8147 33.9345 174.0683 50 Y 5.1608 8.9749 124.4831 56.2108 41.6289 175.2015 51 G 3.6405 8.8849 106.7456 45.8851 0.0000 174.7889 52 G 3.2403 5.5315 104.4935 45.4994 0.0000 173.5731 53 G 4.0211 8.8171 105.4045 45.3350 0.0000 173.5798 54 S 4.7179 8.4398 109.7398 57.5567 63.8573 173.6871 55 I 4.2006 7.6997 114.4549 60.7340 38.7927 177.3928 56 G 4.2725 8.3419 110.3704 44.6732 0.0000 174.1262 57 L 3.8818 7.6713 118.2359 54.4471 41.2154 179.7345 *59 G 3.9673 8.0871 108.2378 45.4099 0.0000 174.7152 60 L 3.9655 7.0254 119.6732 57.9165 41.4739 179.9012 61 V 3.6329 7.9609 118.0866 65.1177 31.0717 178.7225 62 S 3.6968 7.7149 114.3935 60.9827 62.7734 176.1303 63 Q 3.8885 8.7228 123.8197 58.5711 28.8650 177.8316 64 A 3.9225 8.9539 122.9739 55.2353 18.4174 179.8456 65 V 3.4953 8.1093 117.1550 66.1817 31.5829 177.7849 66 H 4.1938 8.2950 118.0058 59.5409 29.5745 176.9619 67 D 4.6233 8.6654 119.8102 57.2225 40.7284 178.4203 68 G 3.8268 7.7977 103.5593 45.2688 0.0000 174.4324 69 G 3.8771 8.3375 109.7128 45.1180 0.0000 173.6396 70 R 4.5262 7.3511 118.1455 54.7702 32.2061 175.5847 71 H 4.5599 9.2300 121.0674 56.0678 31.4531 174.1400 72 V 4.8592 8.0444 123.7707 61.1321 34.9085 173.8183 73 I 5.0737 9.1598 128.5957 59.5057 40.3526 174.4746 74 G 3.8890 9.2831 115.0370 44.2357 0.0000 171.9251 75 I 5.0385 8.3405 126.8785 59.5860 38.9164 175.1905 76 I 4.6794 9.1528 121.7038 58.2349 40.7699 173.4487 77 P 4.4090 0.0000 0.0000 63.5830 32.3421 173.4665 78 K 3.7129 8.5024 120.7915 57.1693 31.2617 178.6174 *87 G 3.9051 7.4494 108.1211 46.4279 0.0000 170.9388 88 E 4.5880 8.6172 118.4827 55.9314 30.8031 176.5698 89 T 4.5932 8.3123 119.5030 62.4719 69.6802 175.4129 90 V 3.9168 8.3446 120.4756 61.6614 33.2010 178.2241 91 G 3.7789 8.3322 108.7655 45.4992 0.0000 172.3368 92 E 4.2058 8.8430 122.7511 56.0339 30.6790 177.1004 93 V 4.8288 8.4119 126.7843 61.3845 33.8629 174.9918 94 R 4.6425 9.3633 125.4167 54.4580 33.6275 173.8768 95 A 5.0432 8.7254 126.1919 50.5121 20.5449 176.1810 96 V 4.2873 8.9450 115.3638 59.0131 35.4124 175.9602 97 A 3.8934 8.9212 122.3810 56.8459 17.5350 178.4839 98 D 4.5957 8.1486 110.6129 54.3615 42.4833 176.9937 *100 H 4.8124 9.4140 114.4362 55.6091 31.5833 175.7090 101 Q 4.1627 8.8451 118.5762 58.7253 28.1240 178.9347 102 R 3.9675 8.0884 119.4387 59.5861 30.2860 178.5885 103 K 4.2302 8.0786 116.0461 59.0773 32.1386 178.9097 104 A 4.4534 8.3060 121.0912 55.2351 18.6727 180.7015 105 E 3.9758 8.8797 114.8314 57.2425 29.6372 179.0133 *107 A 4.9786 7.9703 123.1332 52.0972 20.4654 178.2312 108 K 4.3393 8.0251 114.8982 57.3084 32.3854 176.4776 109 H 4.9914 8.0896 112.2914 56.0121 30.2985 172.7634 110 S 4.7359 7.9350 114.6899 57.0217 65.6349 173.3032 111 D 4.8758 9.0459 119.9829 52.7441 41.2997 176.2159 112 A 4.5937 5.9668 123.9370 51.9360 21.7403 176.1644 113 F 4.9110 8.3657 117.6403 55.6886 42.8928 174.2602 114 I 5.0440 8.5575 123.8665 59.3469 40.7119 174.2537 115 A 5.3095 9.2013 128.3246 50.3669 21.5783 176.0670 116 L 4.8358 8.6525 122.0583 52.2267 44.3710 174.7305 117 P 3.6007 0.0000 0.0000 63.2198 31.9773 176.5640 118 G 4.2616 8.0610 110.4914 45.2240 0.0000 171.7880 119 G 4.2211 8.1479 108.2996 44.6803 0.0000 173.9053 120 Y 4.5189 8.6131 115.9713 61.6343 37.6318 178.5020 121 G 3.6863 8.2752 105.7849 48.4614 0.0000 175.5201 122 T 3.9643 7.8670 117.9879 66.1589 68.5895 175.9796 123 L 3.9239 7.9325 120.2566 58.0299 41.6237 178.8542 124 E 3.7692 8.2483 118.2822 59.7172 29.7177 179.2083 125 E 3.4618 7.5274 117.8753 59.2622 29.3001 179.2859 126 L 3.9616 7.9970 120.3563 57.9101 42.0427 178.8943 127 L 3.9805 8.0528 119.4602 57.1665 41.6724 178.8092 128 E 3.5311 8.1388 119.7859 59.0704 29.3733 179.2677 129 V 3.1954 6.9912 112.1672 64.2445 31.4774 178.6428 130 I 3.6896 7.2393 119.5569 64.7049 36.8686 178.6146 131 T 3.8966 8.2150 116.9586 66.4518 68.1075 176.7633 132 W 4.3896 8.7026 121.0104 59.8511 29.0415 178.5029 133 A 4.6491 8.4575 122.3844 54.5045 17.5021 179.4243 134 Q 3.9567 8.0150 117.7257 58.8679 29.2926 177.3990 135 L 4.3059 8.0277 118.0309 55.3080 42.0337 177.5168 136 G 4.0658 7.9563 106.9887 45.2901 0.0000 174.8191 137 I 3.7228 6.9838 120.2847 64.6154 37.4273 175.3601 138 H 4.9875 7.6745 112.6889 54.7301 31.0585 172.1402 139 D 4.7921 8.4042 117.4016 53.8491 41.7546 175.5364 140 K 4.5234 8.7445 116.2044 55.1577 33.2275 175.7927 141 P 4.6063 0.0000 0.0000 62.7880 33.0608 175.3126 142 V 5.0805 8.4599 121.2372 61.2656 34.8856 174.4685 143 G 4.5764 9.3413 113.9635 44.4218 0.0000 171.0200 144 L 5.0693 9.2377 122.0328 52.7165 44.4637 175.7950 145 L 4.5534 8.6371 127.5202 54.0384 40.8518 175.0612 146 N 4.9828 8.9990 125.5887 52.0798 38.1726 172.3190 147 V 4.1522 8.0308 122.0470 62.7890 32.8853 175.7161 148 D 4.2447 9.8785 124.7542 55.2274 38.5376 174.3551 149 G 3.9694 8.2735 105.7999 46.1127 0.0000 175.0052 150 Y 3.9526 8.1275 121.7781 60.8956 38.7243 177.2287 151 Y 4.5797 8.8355 115.7796 58.3039 38.3202 176.9819 152 N 4.3361 8.3408 120.0246 56.9112 38.2809 177.2905 153 S 4.1123 7.9564 115.3010 61.7295 63.1759 176.1768 154 L 4.0999 8.1110 122.3990 58.6147 41.1929 178.8902 155 L 4.1661 8.2388 118.2648 57.2579 41.5323 179.2281 156 S 4.1005 7.9509 115.0138 60.6436 63.0627 176.1545 157 F 4.2231 9.3869 124.4956 61.4231 39.0813 177.1615 158 I 3.3878 7.7556 119.1867 64.4191 36.8213 178.1556 159 D 4.3004 7.5250 119.3518 57.2329 40.7533 178.6460 160 K 3.8941 8.5289 120.1975 59.4904 32.2204 178.6213 161 A 3.9785 8.0474 121.3287 54.6479 18.0644 179.4817 162 V 4.3516 7.7657 117.4709 64.4692 31.5877 177.7110 163 E 4.0821 8.4384 119.8462 59.3182 29.5214 178.2784 164 E 3.9795 7.8283 116.3289 57.4462 29.4528 177.8722 165 G 3.9529 7.1741 107.5363 45.4058 0.0000 174.3414 166 F 4.7038 7.9525 118.1432 57.1820 40.7188 176.0314 167 I 4.6201 7.6225 121.5079 58.5768 40.1629 175.2269 168 S 4.5557 8.4480 120.0058 57.4961 65.0279 173.4563 169 P 4.1986 0.0000 0.0000 66.1732 31.2188 178.9721 170 T 4.0124 7.8307 113.8023 66.6616 68.4754 176.5800 171 A 4.0324 8.1698 122.6905 54.9763 18.3150 179.4613 172 R 3.8071 8.2766 117.6738 59.7701 29.8751 178.4268 173 E 4.1198 7.8576 116.7213 58.6661 29.4232 178.6519 174 I 4.0688 7.6152 119.9524 63.4597 37.2980 175.7513 175 I 4.1113 7.4552 120.6321 60.4887 36.9969 175.9879 176 V 4.1665 8.5563 128.2825 62.0972 32.9124 174.8195 177 S 5.2974 8.3720 120.0637 57.1261 65.9405 172.3471 178 A 4.7367 8.5165 124.2355 50.7934 22.4531 175.6117 179 P 4.7624 0.0000 0.0000 63.6015 32.4507 176.8966 180 T 4.7563 7.4814 108.8640 58.9495 73.2219 174.3389 181 A 4.0299 8.5167 124.0719 55.1425 18.6140 179.9470 182 K 3.9686 8.0226 117.5799 59.9635 32.4537 178.7311 183 E 3.9964 8.0055 118.5813 59.0967 28.8773 178.8960 184 L 3.9505 8.4201 120.8700 58.5339 42.2167 179.4700 185 V 3.7299 7.9614 117.7658 65.6149 31.1876 177.7290 186 K 3.9671 7.7120 118.5898 59.3623 32.1964 178.5482 187 K 4.2012 8.0316 118.3457 59.1966 31.8748 179.2544 188 L 4.1221 7.4855 117.2518 57.9909 41.6483 179.2564 189 E 3.9943 8.0886 117.1926 57.5123 29.4221 176.8938 190 E 4.2254 7.9785 122.7145 56.5641 29.9851 174.1732 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 10 K 8.31 4.26 0.00 1.71 1.79 0.00 1.59 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.48 7.81 11 S 8.43 3.98 0.00 3.96 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 12 K 8.72 3.99 0.00 1.60 1.64 0.00 1.34 0.00 0.00 1.42 0.00 0.00 2.74 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.78 0.21 7.81 13 F 7.55 5.08 0.00 3.07 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 14 R 9.22 4.47 0.00 1.92 1.98 0.00 3.13 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 15 R 8.01 5.20 0.00 1.66 1.71 0.00 3.30 0.00 0.00 3.36 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 16 I 8.11 4.54 1.70 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.51 0.69 0.00 0.00 17 C 8.36 4.52 0.00 2.49 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 0.00 0.00 0.00 0.00 18 V 8.35 4.59 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 0.81 0.00 0.00 0.87 0.00 0.00 19 F 8.52 5.32 0.00 3.09 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 20 C 8.52 5.00 0.00 2.93 2.93 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 21 G 8.14 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 S 9.03 4.28 0.00 3.92 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 23 S 7.31 4.91 0.00 4.00 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 24 Q 8.56 4.04 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.48 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 25 G 7.58 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 26 K 8.44 4.36 0.00 1.78 1.86 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.48 7.81 27 K 7.54 4.44 0.00 0.96 1.23 0.00 1.29 0.00 0.00 1.46 0.00 0.00 2.77 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.26 1.26 7.81 28 S 8.82 4.56 0.00 3.84 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 29 S 7.80 4.04 0.00 4.01 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 30 Y 7.41 4.38 0.00 2.97 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 31 Q 7.92 4.07 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.91 0.00 0.00 0.00 0.00 0.00 2.46 2.58 0.00 32 D 8.61 4.37 0.00 2.66 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 33 A 7.95 3.97 1.45 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 0.00 0.00 34 A 7.83 3.92 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 35 V 7.58 3.52 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 1.01 0.00 0.00 0.97 0.00 0.00 36 D 8.36 4.35 0.00 2.86 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 37 L 8.59 4.03 0.00 1.77 1.81 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 38 G 8.12 3.60 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 N 8.30 4.43 0.00 2.92 2.87 0.00 0.00 6.72 7.14 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 40 E 8.26 3.92 0.00 2.27 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 2.46 2.40 0.00 41 L 7.94 3.97 0.00 1.90 1.88 0.86 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 42 V 7.81 3.59 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 1.04 0.00 0.00 0.97 0.00 0.00 43 S 8.04 4.16 0.00 4.06 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 44 R 7.94 4.18 0.00 1.88 2.03 0.00 3.41 0.00 0.00 3.27 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.79 0.00 45 N 7.80 4.25 0.00 2.87 2.92 0.00 0.00 6.76 8.55 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 46 I 8.09 4.59 1.89 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.81 0.98 0.00 0.00 47 D 8.74 4.76 0.00 2.76 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 48 L 8.65 4.85 0.00 1.66 1.41 0.84 0.51 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 49 V 8.50 4.98 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 1.04 0.00 0.00 0.92 0.00 0.00 50 Y 8.97 5.16 0.00 3.07 2.92 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 51 G 8.88 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 G 5.53 3.24 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 0.00 0.00 0.00 0.00 53 G 8.82 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 0.00 0.00 0.00 54 S 8.44 4.72 0.00 3.99 4.29 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 55 I 7.70 4.20 1.98 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.68 0.93 0.00 0.00 56 G 8.34 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 0.00 0.00 0.00 0.00 57 L 7.67 3.88 0.00 1.78 1.69 0.89 1.57 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 *59 G 8.09 3.97 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 0.00 0.00 0.00 60 L 7.03 3.97 0.00 1.89 1.67 0.98 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 61 V 7.96 3.63 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 1.01 0.00 0.00 0.84 0.00 0.00 62 S 7.71 3.70 0.00 3.38 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 63 Q 8.72 3.89 0.00 2.24 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.34 2.59 0.00 64 A 8.95 3.92 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 65 V 8.11 3.50 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 0.94 0.00 0.00 0.96 0.00 0.00 66 H 8.29 4.19 0.00 3.25 3.38 0.00 5.65 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 D 8.67 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0.00 0.00 0.00 0.00 0.00 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 L 9.24 5.07 0.00 1.60 1.49 0.65 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 145 L 8.64 4.55 0.00 1.69 1.67 1.11 0.94 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 0.00 146 N 9.00 4.98 0.00 3.10 2.82 0.00 0.00 6.73 7.43 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 0.00 147 V 8.03 4.15 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 1.14 0.00 0.00 148 D 9.88 4.24 0.00 3.12 2.80 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 0.00 149 G 8.27 3.97 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 0.00 0.00 0.00 150 Y 8.13 3.95 0.00 2.73 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 0.00 151 Y 8.84 4.58 0.00 3.29 2.93 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 0.00 152 N 8.34 4.34 0.00 2.84 2.92 0.00 0.00 7.03 6.70 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 0.00 153 S 7.96 4.11 0.00 3.83 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 0.00 154 L 8.11 4.10 0.00 1.86 2.03 1.05 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 155 L 8.24 4.17 0.00 2.02 1.75 0.99 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 156 S 7.95 4.10 0.00 4.08 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 0.00 157 F 9.39 4.22 0.00 2.97 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 0.00 158 I 7.76 3.39 1.85 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.75 0.86 0.00 0.00 159 D 7.53 4.30 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 0.00 160 K 8.53 3.89 0.00 1.83 1.89 0.00 1.53 0.00 0.00 1.69 0.00 0.00 3.11 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.54 1.52 7.81 161 A 8.05 3.98 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.77 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 1.14 0.00 0.00 0.95 0.00 0.00 163 E 8.44 4.08 0.00 2.05 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 2.28 2.48 0.00 164 E 7.83 3.98 0.00 2.16 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 2.54 2.57 0.00 165 G 7.17 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 0.00 166 F 7.95 4.70 0.00 3.03 3.06 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 0.00 167 I 7.62 4.62 1.85 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.23 0.90 0.00 0.00 168 S 8.45 4.56 0.00 4.04 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 P 0.00 4.20 0.00 2.03 2.16 0.00 3.66 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.17 0.00 170 T 7.83 4.01 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 1.22 0.00 0.00 171 A 8.17 4.03 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 0.00 172 R 8.28 3.81 0.00 1.90 2.15 0.00 3.14 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 173 E 7.86 4.12 0.00 2.13 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 2.58 2.50 0.00 174 I 7.62 4.07 1.97 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 1.54 0.54 0.93 0.00 0.00 175 I 7.46 4.11 1.86 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 1.09 0.47 0.88 0.00 0.00 176 V 8.56 4.17 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 0.94 0.00 0.00 0.97 0.00 0.00 177 S 8.37 5.30 0.00 3.86 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 0.00 178 A 8.52 4.74 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 0.00 179 P 0.00 4.76 0.00 2.24 2.23 0.00 3.35 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.94 0.00 180 T 7.48 4.76 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 1.31 0.00 0.00 181 A 8.52 4.03 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 0.00 182 K 8.02 3.97 0.00 1.84 1.83 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.55 7.81 183 E 8.01 4.00 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 184 L 8.42 3.95 0.00 1.87 1.85 1.01 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 185 V 7.96 3.73 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 1.02 0.00 0.00 0.98 0.00 0.00 186 K 7.71 3.97 0.00 1.99 2.08 0.00 1.86 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.51 7.81 187 K 8.03 4.20 0.00 2.05 1.87 0.00 1.84 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.50 7.81 188 L 7.49 4.12 0.00 1.81 1.87 0.85 0.95 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 0.00 189 E 8.09 3.99 0.00 2.01 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 2.64 2.62 0.00 190 E 7.98 4.23 0.00 2.12 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 2.23 2.30 0.00 * Residues marked with a * may have inaccurate shift predictions.