NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.7382 8.4201 118.2105 52.9659 39.4874 174.5885 3 A 4.1453 7.8047 121.1755 50.8930 18.6685 176.1098 4 S 4.6629 8.5959 114.9570 57.0868 64.4788 171.5784 5 L 4.6335 8.0832 122.0266 54.6777 45.0997 178.5002 6 T 4.1876 7.6825 114.2332 62.4403 70.3954 173.5602 7 P 4.5058 0.0000 0.0000 66.0936 31.5207 178.8723 8 D 4.4119 8.0875 117.1617 57.4599 40.8896 178.7354 9 Q 4.0331 8.0273 118.0969 59.0981 28.8301 178.9700 10 V 3.8349 8.3228 113.7923 64.0940 31.5878 178.5482 11 S 4.0818 8.4273 115.4089 61.7843 62.7197 176.7547 12 K 3.9368 8.0585 121.6470 59.4101 31.7719 179.0256 13 K 4.0768 7.6759 117.5324 59.2331 31.9687 179.1445 14 L 3.5423 7.9808 120.5952 57.8340 42.0308 178.4564 15 K 3.7657 7.9592 119.8248 59.8985 32.0410 178.0166 16 Q 3.9479 8.1705 119.3628 59.2130 28.8963 178.2145 17 F 3.8055 8.3089 121.6742 61.2292 39.4257 176.9801 18 F 4.5479 8.4386 117.7763 60.8309 38.5248 177.6813 19 S 4.2237 8.0721 111.1466 61.6367 62.3341 175.5581 20 D 4.3539 8.2819 120.6089 56.8513 40.5714 176.9902 21 H 4.8143 7.9230 113.0402 55.0942 31.2050 173.9986 22 L 4.6712 7.7265 119.5600 50.9812 41.8348 174.8336 23 P 4.2671 0.0000 0.0000 65.4800 30.1136 177.5347 24 I 3.7329 7.7505 117.2163 64.0568 37.9327 177.9258 25 S 4.1937 8.0965 115.1077 61.1428 62.4771 176.6160 26 Q 4.0407 7.2232 119.0193 58.4301 28.6538 179.2599 27 F 4.3038 8.1486 120.4591 58.1064 39.4011 175.2084 *29 G 3.8050 8.0428 101.5622 45.2202 0.0000 172.8309 30 L 4.7575 7.9356 123.3894 54.7844 42.5620 175.8646 31 E 4.9450 9.3107 124.9438 54.5406 34.6539 174.6079 32 I 4.3193 8.3502 122.2474 61.2383 37.2690 175.7364 33 E 4.3278 9.3141 129.9925 58.8628 30.1411 176.7296 34 S 4.8050 7.8411 111.4422 57.8228 66.4093 173.1385 35 Y 5.6224 8.6615 121.3538 56.6986 41.3875 174.6027 36 D 4.5619 8.5264 125.5137 52.7613 40.0712 175.9380 37 G 3.7735 6.2079 109.6126 44.8354 0.0000 174.3384 38 D 4.8942 8.5282 118.5433 55.0396 44.1145 176.8800 39 T 5.0647 7.9556 114.2865 61.5974 72.5115 172.7358 40 L 5.2206 9.0555 128.9344 53.6409 44.3793 174.9697 41 I 4.9886 8.7492 126.5910 59.6515 40.2003 174.5402 42 L 5.2656 8.8605 127.5173 53.4530 44.1641 175.7780 43 T 5.7619 9.1937 111.1900 59.1647 72.7015 172.5447 44 A 5.2937 8.4533 122.8167 49.5018 22.7517 174.3191 45 P 4.6019 0.0000 0.0000 62.5871 32.2950 176.4425 46 L 4.1574 8.4256 121.3360 57.9971 42.6036 178.7776 47 E 3.9756 8.4183 117.5222 58.9543 29.3421 176.6539 48 P 4.3358 0.0000 0.0000 64.6707 31.8440 176.3587 49 N 4.9254 8.2862 116.7711 53.0977 38.5532 174.5955 50 I 4.6933 7.5280 118.8360 60.0512 39.5261 174.1833 51 N 5.2916 8.4001 120.9487 51.0857 39.6259 174.4320 52 D 4.4035 8.7687 116.0144 56.0235 39.6637 176.8264 53 K 4.3659 8.6241 119.0053 55.5376 32.1365 176.5908 54 Q 3.7214 7.7694 116.4954 57.0632 26.9823 173.0342 55 T 4.8793 7.3757 108.2061 59.4264 72.4810 172.3860 56 A 4.7213 8.6708 124.1577 51.5123 19.1226 177.6404 57 F 4.1836 9.5140 126.0131 59.0409 40.0340 176.7331 58 G 3.5955 8.7858 112.2786 47.7884 0.0000 175.9681 59 G 3.1066 5.3800 107.1475 47.3083 0.0000 176.0015 60 S 4.3508 7.5444 117.0060 61.3386 62.9471 176.4657 61 L 3.9584 7.8364 121.5221 57.8583 41.2372 178.9024 62 Y 3.8584 8.1182 119.3888 60.7716 38.5516 177.8327 63 N 4.2721 8.5732 116.2704 56.2013 38.7080 176.9201 64 A 3.9801 7.8720 120.9405 55.0184 18.7829 179.3109 65 A 3.8261 7.6120 119.4671 54.8317 18.3595 181.2426 66 V 3.0168 7.3888 117.2059 61.2941 29.9512 178.1158 *68 A 4.2830 7.9645 123.3502 53.4215 20.3148 179.8112 69 C 4.2549 7.9056 112.0463 62.5258 28.6462 175.2069 70 W 3.5198 8.4067 129.7373 60.3082 30.4062 178.6600 71 G 3.9741 7.8202 104.5967 46.6842 0.0000 175.0113 *73 V 3.7401 7.9107 120.9403 62.6249 33.3150 176.8342 74 Y 3.6850 7.4617 121.6124 59.9875 38.4169 178.2276 75 L 3.7538 7.9584 119.9469 57.5892 41.6399 179.6995 76 K 4.0512 7.8560 118.2511 59.6427 32.1243 179.3289 77 T 3.7115 8.0648 110.3439 64.8069 68.5516 176.6543 78 Q 3.7189 7.7878 120.9187 58.6754 28.4669 178.4991 79 E 3.9360 7.9223 118.6014 58.9439 29.5818 178.1490 80 E 3.9207 7.7954 116.5396 55.4003 30.0461 175.4975 81 N 4.0284 7.4808 114.0446 54.8495 36.9518 174.1350 82 I 4.0417 7.4111 117.7087 59.9199 38.2433 175.6866 83 A 4.4008 8.3759 128.9892 51.4020 19.5764 175.6719 84 C 4.9148 8.1284 116.1167 57.9005 32.5385 172.6285 85 N 5.0341 9.1964 117.4982 52.0287 40.3993 174.1299 86 Q 5.1973 8.8333 123.8506 54.5331 31.9288 174.4752 87 V 5.0167 9.1192 118.6414 59.6326 36.2429 174.7368 88 V 4.2156 8.7135 123.1519 62.6383 31.8835 175.6053 89 T 4.6991 8.5366 116.8737 62.0921 70.8492 173.9070 90 E 4.7715 7.7784 118.5282 55.2878 33.0686 174.4122 91 G 4.6378 8.3517 107.1766 45.3158 0.0000 171.5085 92 N 5.1845 8.4787 121.4942 51.0981 43.6660 173.1286 *94 K 4.2336 8.3270 117.1981 56.8180 33.8687 174.9270 95 Y 4.6947 8.7920 122.2819 56.9120 38.5372 175.2184 96 I 4.3165 8.8641 126.3408 62.8335 38.4712 176.3683 97 A 4.6845 7.6671 121.5363 49.9015 21.9759 173.7614 98 P 4.5365 0.0000 0.0000 62.4807 32.4641 175.8358 99 V 4.2335 8.2306 119.1379 61.4920 32.8931 175.3875 100 Y 5.1550 8.6185 124.3103 56.3555 38.9623 175.1873 101 G 4.3270 7.5784 107.6809 45.1864 0.0000 172.0790 102 R 4.0425 8.8892 119.8728 57.4493 30.6968 177.2871 103 I 4.2526 8.6014 126.8798 60.7385 38.5932 175.0998 104 R 5.0620 8.5651 124.4749 54.5273 33.9461 173.6884 105 A 5.0632 9.2140 126.9618 50.1146 21.6541 175.0315 106 I 4.8277 8.7378 123.6985 59.5367 40.2198 174.2573 107 C 5.1271 9.0873 127.4258 57.8779 34.2733 172.3364 108 H 5.2777 8.8265 122.9924 54.4153 29.7480 175.1073 109 A 4.1786 8.9812 124.9311 51.5251 18.8347 176.0287 110 P 4.3469 0.0000 0.0000 62.1154 32.3469 176.6605 111 D 4.6218 8.4524 119.9468 54.1892 42.7582 177.6171 112 E 4.0569 8.6495 120.0092 59.6013 29.3476 179.6097 113 E 3.9703 8.1125 118.2398 59.4048 29.5694 178.9826 114 E 3.9500 8.1085 118.0042 59.4417 29.5867 179.2408 115 L 3.8578 8.0350 118.6614 57.7128 41.6624 179.4137 116 A 4.1778 8.7457 120.9660 55.4008 18.3570 179.3555 117 N 4.3339 8.6290 115.3812 56.4002 38.5905 177.4933 118 F 4.1882 8.4044 122.0258 61.5358 39.5425 177.3973 119 F 4.2289 8.3236 117.7537 60.1680 38.6254 177.3118 120 D 4.3332 8.6473 118.4734 57.6739 41.0865 177.6801 121 H 4.0974 8.7278 119.1492 59.2869 29.7352 176.8998 122 F 4.1668 8.1898 122.4063 61.1558 38.9485 176.8255 123 E 3.8726 8.0350 117.1832 59.5320 29.4137 179.3840 124 R 3.9877 7.7842 116.1996 58.8870 30.7033 178.6028 125 K 4.3143 8.3354 116.4935 55.2015 33.0505 178.2888 126 G 3.4214 7.9672 107.7159 45.1486 0.0000 173.0823 127 K 5.3168 7.2482 116.7446 54.8149 35.9828 175.6034 128 A 4.8999 8.7934 122.7610 51.1368 22.9414 175.4801 129 R 5.3645 8.7389 118.3337 54.7608 34.1499 174.8757 130 I 4.4330 8.6312 120.5465 59.8650 41.7912 173.5322 131 S 5.3560 8.4951 123.9988 57.2644 64.7425 173.2612 132 L 4.9878 8.9153 122.1542 53.2875 46.4518 175.0428 133 E 5.3880 8.7748 118.0988 54.9015 33.5298 175.0581 134 A 5.0960 9.1240 122.4449 50.4869 23.3238 174.8710 135 A 5.0810 9.0331 119.9881 50.1947 23.3348 175.2709 136 I 4.9293 7.9168 119.3797 58.5527 41.0494 174.3900 137 Y 4.7914 8.6319 123.1533 56.5013 40.8449 175.8081 138 N 4.4058 8.8250 119.9755 55.3558 40.2016 175.9695 139 D 4.5434 8.0851 115.6098 55.5723 41.4646 176.1038 140 A 4.7451 7.5919 120.4815 50.3035 22.0414 176.1216 141 C 4.3309 8.3186 122.3459 58.3935 30.0477 173.3547 142 V 3.6794 7.2878 124.7907 61.7633 33.4499 175.4655 *144 K 4.1693 8.1636 119.7092 54.2917 32.7330 171.8974 145 I 4.5402 8.8029 123.7583 61.6259 35.9880 175.9420 146 E 4.5079 8.4693 123.8041 54.2273 31.1208 173.1088 *147 P 4.3909 0.0000 0.0000 65.4607 30.2121 176.9524 148 E 4.0202 7.5045 113.7835 58.5093 30.1141 178.7318 149 T 3.9730 7.6838 115.5785 63.6889 69.4611 174.0141 150 K 4.2821 8.6259 127.8486 55.0017 32.9262 174.7860 151 P 4.1302 0.0000 0.0000 62.3459 32.3500 176.4406 152 S 4.3373 8.2916 115.9197 61.1840 64.1699 174.7174 153 V 4.8018 7.3613 118.1098 61.0692 34.9674 173.9661 154 K 4.8628 8.7049 126.3895 54.4872 34.9368 175.3299 155 F 5.2471 8.9817 125.8592 56.3631 43.0314 173.3660 156 N 5.2011 8.1756 121.6179 51.1485 40.7768 173.4931 157 G 4.2775 9.1582 108.4881 44.6019 0.0000 170.7273 158 Q 5.2616 8.6530 120.7047 54.3307 32.4772 173.8093 159 Y 5.1966 8.9712 120.9861 56.2446 42.7106 174.1075 160 A 5.3570 9.6055 124.0784 50.1244 23.1358 174.8624 161 I 5.0727 8.9504 114.1511 59.1587 40.5902 174.6247 162 L 5.4350 9.1435 124.5346 52.4686 45.8355 175.9099 163 K 4.3966 8.8419 124.4415 56.6975 32.8929 176.5002 164 N 4.6003 8.8372 122.7008 53.7390 38.5103 174.9160 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 N 8.42 4.74 0.00 2.83 2.93 0.00 0.00 6.03 6.38 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 3 A 7.80 4.15 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 S 8.60 4.66 0.00 3.80 3.79 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 5 L 8.08 4.63 0.00 1.55 1.62 0.89 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 6 T 7.68 4.19 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 7 P 0.00 4.51 0.00 2.10 1.91 0.00 3.58 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 1.99 2.01 0.00 8 D 8.09 4.41 0.00 2.71 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 9 Q 8.03 4.03 0.00 2.26 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.93 0.00 0.00 0.00 0.00 0.00 2.46 2.46 0.00 10 V 8.32 3.83 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 0.78 0.00 0.00 1.15 0.00 0.00 11 S 8.43 4.08 0.00 4.08 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 12 K 8.06 3.94 0.00 1.89 2.02 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.51 7.81 13 K 7.68 4.08 0.00 2.20 2.07 0.00 1.81 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.64 1.62 7.81 14 L 7.98 3.54 0.00 1.75 1.67 0.14 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 15 K 7.96 3.77 0.00 1.87 2.05 0.00 1.73 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.53 7.81 16 Q 8.17 3.95 0.00 2.38 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.58 0.00 17 F 8.31 3.81 0.00 3.05 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 18 F 8.44 4.55 0.00 3.22 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 19 S 8.07 4.22 0.00 3.90 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 20 D 8.28 4.35 0.00 2.23 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 0.00 0.00 0.00 21 H 7.92 4.81 0.00 2.50 2.94 0.00 5.59 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.73 4.67 0.00 1.75 1.43 0.71 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 23 P 0.00 4.27 0.00 2.13 2.11 0.00 3.57 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 2.09 2.13 0.00 24 I 7.75 3.73 1.85 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 1.75 1.39 0.87 0.00 0.00 25 S 8.10 4.19 0.00 3.60 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 26 Q 7.22 4.04 0.00 2.19 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 7.65 0.00 0.00 0.00 0.00 0.00 2.55 2.51 0.00 27 F 8.15 4.30 0.00 3.00 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 *29 G 8.04 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.94 4.76 0.00 1.55 1.50 0.90 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 31 E 9.31 4.94 0.00 1.91 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 0.00 2.25 2.45 0.00 32 I 8.35 4.32 1.93 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.59 0.98 0.00 0.00 33 E 9.31 4.33 0.00 2.00 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 2.34 2.28 0.00 34 S 7.84 4.81 0.00 3.92 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 35 Y 8.66 5.62 0.00 2.98 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 36 D 8.53 4.56 0.00 2.62 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 37 G 6.21 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 0.00 0.00 0.00 38 D 8.53 4.89 0.00 2.67 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 T 7.96 5.06 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 1.15 0.00 0.00 40 L 9.06 5.22 0.00 1.83 1.55 0.98 0.94 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 41 I 8.75 4.99 1.91 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 1.25 0.72 0.94 0.00 0.00 42 L 8.86 5.27 0.00 1.59 1.68 1.06 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 43 T 9.19 5.76 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 1.26 0.00 0.00 44 A 8.45 5.29 1.18 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 0.00 0.00 0.00 45 P 0.00 4.60 0.00 2.15 2.04 0.00 3.76 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 1.90 1.89 0.00 46 L 8.43 4.16 0.00 1.96 1.72 0.98 0.98 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 47 E 8.42 3.98 0.00 1.93 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 2.31 2.38 0.00 48 P 0.00 4.34 0.00 1.49 1.49 0.00 3.76 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 1.75 1.66 0.00 49 N 8.29 4.93 0.00 2.93 2.95 0.00 0.00 6.43 7.22 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 50 I 7.53 4.69 2.16 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.94 1.00 0.00 0.00 51 N 8.40 5.29 0.00 3.02 3.06 0.00 0.00 7.12 7.67 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 52 D 8.77 4.40 0.00 2.81 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 53 K 8.62 4.37 0.00 1.97 1.87 0.00 1.84 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.40 1.41 7.81 54 Q 7.77 3.72 0.00 2.15 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.65 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 55 T 7.38 4.88 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 56 A 8.67 4.72 1.34 0.00 0.00 0.00 0.00 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0.00 75 L 7.96 3.75 0.00 1.40 1.31 -0.09 1.00 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 76 K 7.86 4.05 0.00 2.04 2.23 0.00 1.81 0.00 0.00 2.13 0.00 0.00 3.17 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.56 1.50 7.81 77 T 8.06 3.71 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 78 Q 7.79 3.72 0.00 1.95 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.84 0.00 0.00 0.00 0.00 0.00 1.46 1.83 0.00 79 E 7.92 3.94 0.00 2.02 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 2.55 2.41 0.00 80 E 7.80 3.92 0.00 1.39 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 1.47 1.87 0.00 81 N 7.48 4.03 0.00 2.80 2.78 0.00 0.00 6.91 7.50 0.00 0.00 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 I 7.41 4.04 1.68 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.38 0.46 0.00 0.00 83 A 8.38 4.40 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 84 C 8.13 4.91 0.00 3.09 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 85 N 9.20 5.03 0.00 2.74 2.89 0.00 0.00 6.90 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 Q 8.83 5.20 0.00 1.97 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.82 0.00 0.00 0.00 0.00 0.00 2.14 2.20 0.00 87 V 9.12 5.02 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 1.04 0.00 0.00 88 V 8.71 4.22 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 0.54 0.00 0.00 1.10 0.00 0.00 89 T 8.54 4.70 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 1.24 0.00 0.00 90 E 7.78 4.77 0.00 1.97 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 2.15 2.19 0.00 91 G 8.35 4.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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2.31 0.00 134 A 9.12 5.10 1.19 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 0.00 135 A 9.03 5.08 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 0.00 136 I 7.92 4.93 1.75 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.98 0.89 0.00 0.00 137 Y 8.63 4.79 0.00 2.88 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 0.00 138 N 8.83 4.41 0.00 2.42 2.62 0.00 0.00 7.08 8.47 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 0.00 139 D 8.09 4.54 0.00 2.75 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 0.00 140 A 7.59 4.75 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 0.00 141 C 8.32 4.33 0.00 2.94 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 0.00 142 V 7.29 3.68 1.73 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 0.30 0.00 0.00 0.36 0.00 0.00 *144 K 8.16 4.17 0.00 1.84 1.62 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.04 7.81 145 I 8.80 4.54 2.04 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 2.16 1.04 0.00 0.00 146 E 8.47 4.51 0.00 1.98 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 0.00 2.18 1.86 0.00 *147 P 0.00 4.39 0.00 2.08 2.01 0.00 3.72 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.61 0.00 148 E 7.50 4.02 0.00 1.98 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.91 0.00 149 T 7.68 3.97 4.23 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 1.19 0.00 0.00 150 K 8.63 4.28 0.00 1.76 1.77 0.00 1.80 0.00 0.00 1.79 0.00 0.00 3.05 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.44 7.81 151 P 0.00 4.13 0.00 2.04 1.19 0.00 3.82 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.86 0.00 152 S 8.29 4.34 0.00 3.88 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 0.00 153 V 7.36 4.80 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 0.78 0.00 0.00 0.93 0.00 0.00 154 K 8.70 4.86 0.00 1.57 1.61 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.65 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.27 1.25 7.81 155 F 8.98 5.25 0.00 2.99 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 0.00 156 N 8.18 5.20 0.00 2.65 2.68 0.00 0.00 6.53 6.47 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 0.00 157 G 9.16 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 0.00 158 Q 8.65 5.26 0.00 2.01 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.70 0.00 0.00 0.00 0.00 0.00 2.21 2.37 0.00 159 Y 8.97 5.20 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 0.00 160 A 9.61 5.36 1.28 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 0.00 161 I 8.95 5.07 1.61 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.65 0.95 0.00 0.00 162 L 9.14 5.43 0.00 1.65 1.64 1.01 0.76 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 0.00 163 K 8.84 4.40 0.00 1.74 1.69 0.00 1.71 0.00 0.00 1.50 0.00 0.00 2.71 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.41 7.81 164 N 8.84 4.60 0.00 2.81 2.77 0.00 0.00 6.86 7.56 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 * Residues marked with a * may have inaccurate shift predictions.