NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 M 4.4188 8.1585 118.7939 54.1519 32.8587 176.5067 5 A 4.1588 7.8958 117.8448 52.8316 18.2190 177.2908 6 Q 4.3098 8.2007 119.8361 58.9299 29.1422 181.4308 7 N 4.9640 8.1690 119.8114 56.9908 38.0192 181.9681 8 N 4.9945 7.8056 120.2880 56.8345 37.5435 182.7971 9 K 4.5595 7.6703 125.6383 59.8079 32.0591 184.6054 10 E 4.5009 7.7621 116.5677 61.2226 29.7040 183.6697 11 L 4.5056 7.7860 121.5436 58.5920 41.0933 182.2364 12 E 4.5660 7.7441 114.6851 60.0402 30.4593 183.6231 13 K 4.2602 7.6307 117.2624 59.5682 31.8155 178.8920 14 L 4.1005 7.5897 118.7928 57.3312 41.5315 178.4799 15 A 4.3477 7.5670 120.8309 54.2895 18.7233 178.8723 *16 Y 4.3206 7.6468 119.2781 60.9878 37.7031 182.9725 17 E 4.4555 8.0975 118.7695 58.2191 29.5167 178.7023 18 Y 4.0532 7.8690 121.9609 61.3451 38.5713 177.8689 19 Q 4.2089 8.2074 120.1157 58.9987 28.5585 179.5272 20 V 3.7700 7.3012 116.3141 65.8075 30.4849 177.3327 21 L 4.1923 8.1626 121.8841 57.4345 41.8534 178.4251 22 Q 3.8547 7.7073 118.3792 57.9540 28.6227 181.6995 23 A 4.6192 7.3917 122.5447 55.4073 19.3444 179.3502 24 Q 4.1394 7.8585 112.5758 56.1523 28.2208 178.9025 25 A 4.6570 7.4727 121.8115 53.5965 19.9292 178.9379 26 Q 3.9999 7.9743 119.1181 59.3011 28.2815 183.3686 27 I 4.0901 7.6326 113.0377 64.1957 37.7357 178.2313 28 L 4.0242 7.8718 120.0784 57.3712 41.3057 178.9737 29 A 4.0372 7.4323 119.6762 54.5481 18.3483 179.3185 30 Q 4.0255 7.5920 117.2335 59.5913 29.1858 178.0518 31 N 4.4147 8.2056 117.0436 55.5916 38.4129 176.9091 32 L 4.1479 7.7129 121.9500 57.3892 41.1216 178.3021 33 E 4.2414 7.7459 119.5705 57.9524 29.3061 179.0334 34 L 4.1319 7.6665 119.0656 57.4015 41.8943 178.9437 35 L 4.0146 7.7013 118.7984 57.8499 41.2312 179.2645 36 N 4.3768 7.9043 116.1770 54.8880 37.1162 176.9143 37 L 4.0081 7.1515 118.9173 57.4626 42.0813 178.6399 38 A 3.7807 7.8761 120.8193 54.9904 18.2010 179.6123 39 K 3.4796 7.8399 118.1481 59.3675 31.8941 178.9583 40 A 4.1314 7.4620 120.0723 54.6725 18.1808 179.3557 41 E 3.8319 8.0499 118.2238 59.4190 29.7563 179.0243 42 V 3.5787 7.7831 118.3889 66.2943 31.4713 178.0367 43 Q 4.0009 8.2365 117.6054 58.9602 28.4151 178.5036 44 T 3.9649 7.5381 113.8552 64.6254 66.9878 176.8207 45 V 3.7161 8.0248 120.3752 65.5390 31.4118 178.0520 46 R 4.0315 8.3542 121.3880 59.7149 30.0074 178.7342 47 E 3.9716 8.2719 118.5341 61.5641 29.7417 181.1514 48 T 4.1092 8.3556 114.7424 64.7415 67.3248 176.4169 49 L 4.0142 7.5814 120.4390 57.8948 41.5088 179.2752 50 E 4.0345 8.2007 117.3736 59.4139 29.6072 178.8760 51 N 4.5213 8.1071 116.2367 55.9693 38.1830 177.2556 52 L 3.9799 7.9833 121.8657 57.8468 41.9189 178.8580 53 K 3.7181 7.9806 118.7315 58.5930 32.1480 178.1091 54 K 4.4493 7.7818 117.5049 56.5768 32.5804 176.5154 55 I 3.7594 6.9915 120.0274 60.6690 37.8378 176.1305 56 E 3.9865 8.7777 129.7557 58.7697 29.8826 177.1474 57 E 4.0440 7.3802 118.2960 56.0409 30.5056 175.1159 58 E 3.4452 8.8483 116.3163 59.4430 28.7605 177.9760 59 K 4.5444 5.6600 126.3907 53.0532 33.6330 174.7602 60 P 4.3712 0.0000 0.0000 62.6685 32.4957 175.5483 61 E 4.8503 8.7534 123.9900 56.1701 30.5728 175.8781 62 I 4.7589 8.8750 116.3171 59.3915 42.0535 173.6655 63 L 5.2512 8.4753 122.6925 53.1074 43.3712 176.4736 64 V 4.2284 8.6685 125.1457 59.6322 32.9850 174.0537 65 P 4.3127 0.0000 0.0000 62.2706 31.5344 176.2412 66 I 4.4363 9.3551 115.5932 59.7154 39.4059 176.3018 67 G 3.8644 7.1153 110.1700 45.5217 0.0000 175.4175 68 A 4.2224 8.1362 126.3421 52.6054 16.2594 176.8554 69 G 4.0030 8.3237 106.4028 46.4856 0.0000 171.0795 70 S 4.8983 7.0632 114.2727 56.6857 65.1265 173.4028 71 F 5.3158 8.6665 120.7059 55.9755 43.2075 173.6510 72 L 4.9388 8.9393 120.1479 52.8737 45.6706 175.2664 73 K 4.6159 8.6365 122.3791 55.5603 33.4040 175.7874 74 G 4.3712 8.8032 113.9420 45.5539 0.0000 171.0446 75 V 5.1079 8.0996 118.0328 60.0582 34.4469 174.5960 76 I 4.0544 8.6986 118.8917 60.5253 37.4482 176.2269 77 V 3.8421 8.5943 121.4507 62.9554 32.1254 176.1066 78 D 4.8150 7.5711 119.7919 51.7719 40.4065 175.7917 79 K 4.1244 8.1755 122.8544 57.7954 32.8925 177.0974 80 N 4.6734 7.9730 113.8907 54.5285 39.1275 173.9473 81 N 5.7230 7.7704 114.0505 51.6482 43.0894 173.6776 82 A 4.6620 9.0681 121.1352 50.6965 23.1577 175.6825 83 I 4.4797 8.4765 123.2771 60.8375 37.8204 175.3868 84 V 4.4346 8.5674 128.3013 60.6746 33.9814 175.0118 85 S 4.5095 8.9055 124.9349 59.1555 62.5701 174.8475 86 V 3.8597 8.3996 125.1766 61.0549 31.8357 173.5362 87 G 4.0657 7.6312 103.9994 47.0138 0.0000 173.1495 88 S 3.4626 9.3957 110.7528 59.2289 60.5586 172.5963 89 G 3.7998 9.1153 104.2216 44.7047 0.0000 173.2675 90 Y 4.9823 7.8062 115.5523 56.0249 42.2926 174.3624 91 A 5.0940 8.6242 122.7137 50.6355 22.5493 175.6923 92 V 4.3856 8.5470 115.0876 59.3403 34.5836 174.8620 93 E 4.6310 8.6703 125.6594 56.2099 30.4093 175.7416 94 R 4.9187 9.0569 125.1488 53.9286 35.1698 175.1424 95 S 4.6580 8.6970 114.6324 58.0171 64.1253 175.1259 96 I 3.6978 8.5972 123.2632 65.0313 36.7820 178.5111 97 D 4.3378 8.0089 118.6467 57.5606 40.8578 178.4085 98 E 4.0350 8.2225 118.8461 59.3194 29.3625 179.4758 99 A 4.0586 8.5126 121.0762 55.3699 18.4976 179.6454 100 I 3.6744 8.1398 118.7732 64.6234 37.1221 178.6071 101 S 4.0912 8.5636 114.3128 61.4696 62.2495 176.0710 102 F 4.2481 8.4384 123.3270 61.2079 39.0403 177.1537 103 L 3.8883 8.3053 118.9183 57.7660 41.0301 179.3033 104 E 3.9821 8.4732 118.5022 58.9604 29.0032 179.4347 105 K 3.9873 7.6688 118.5387 59.1274 32.2485 179.3723 106 R 3.8145 7.6176 118.1158 58.3654 29.5330 178.4204 107 L 4.2370 8.0557 120.1358 57.1868 41.9205 178.3746 108 K 4.2274 7.5796 117.4021 58.2124 32.2743 178.7388 109 E 3.8996 7.6514 119.0687 59.5187 29.3168 178.8738 110 Y 4.1165 7.7922 116.4016 60.9778 37.8410 177.7663 111 D 4.4180 7.9367 118.3326 57.0167 41.2217 177.7981 112 E 4.1319 7.9853 118.4931 58.2670 29.9815 178.3953 113 A 4.0513 7.8318 120.7798 54.9575 18.2942 179.7854 114 I 3.6757 7.8994 118.5488 64.3896 37.2065 178.6129 115 K 3.8968 7.5775 118.8019 59.3514 31.9566 178.9441 116 K 3.8305 7.9257 119.6634 60.2558 31.9897 178.9574 117 T 3.9812 7.9034 115.2663 66.1100 67.8445 176.1960 118 Q 4.2170 8.3976 121.3448 57.7223 29.2905 177.3573 119 G 3.4623 8.0280 105.9269 46.4703 0.0000 175.6814 120 A 4.1233 7.9391 122.9655 54.5894 18.3523 179.1483 121 L 4.0087 7.6207 117.5147 57.2007 42.2717 178.7912 122 A 4.1223 7.3399 120.8605 55.3885 18.6679 179.2535 123 E 3.9704 8.0396 116.9495 58.9580 29.4719 178.8255 124 L 4.1003 7.7375 119.2546 57.3088 41.8579 178.2816 125 E 4.1916 7.9463 116.9558 57.4404 29.6029 178.3601 126 K 4.1939 7.6499 119.9599 58.7415 32.3702 178.1248 127 R 4.1547 8.1065 117.7199 57.9816 29.9742 178.4722 128 I 3.9466 7.5490 113.4868 63.2576 37.6249 178.3265 129 G 3.6004 7.8227 106.1276 47.1945 0.0000 174.8564 130 E 4.0552 8.2242 118.9890 57.2091 29.9607 178.3515 131 V 3.8585 7.2369 118.2606 64.9448 31.8115 176.9767 132 A 4.2335 8.3939 118.9691 53.3698 18.4661 178.6968 133 R 4.1962 7.4736 117.0724 58.1195 30.3074 178.3334 134 K 4.1059 7.9535 118.1052 58.7080 32.0517 178.8253 135 A 4.3387 8.0424 122.9980 54.9059 19.1825 179.9861 136 Q 4.1236 7.9366 120.0152 60.2481 28.0289 181.7112 137 E 4.5898 7.9223 118.8597 61.1935 29.8595 184.4832 138 V 4.0828 7.3495 118.6236 66.3419 31.9300 182.9608 139 Q 4.4939 8.2695 121.3878 60.4901 27.7391 183.5986 140 Q 4.3597 7.7154 122.1177 61.0445 28.2839 182.8435 141 K 4.5392 8.0252 126.4750 58.5630 31.5881 180.8232 142 Q 4.4839 7.5817 120.5222 60.3195 28.4460 183.1797 143 S 4.7840 7.7641 116.6614 61.3600 61.5847 179.0565 144 M 4.7137 7.8523 123.0564 58.8007 32.9497 178.7533 145 T 4.1071 7.4562 113.1625 65.3218 68.5817 178.7061 146 S 4.5727 7.3229 113.1860 60.1813 63.1687 174.5601 147 F 4.3699 7.2640 123.9121 59.0139 39.7915 174.9633 148 K 3.8014 6.3422 123.3776 52.9507 35.2276 176.3267 149 V 3.5439 7.8784 124.1249 61.9214 32.0121 175.7168 150 K 4.1640 8.4074 125.9106 56.8152 33.8781 176.9099 151 K 4.1056 8.5603 118.7449 57.1880 32.2343 174.9644 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 M 8.16 4.42 0.00 1.96 2.14 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.12 0.00 5 A 7.90 4.16 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 Q 8.20 4.31 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.83 6.77 0.00 0.00 0.00 0.00 0.00 2.32 1.98 0.00 7 N 8.17 4.96 0.00 2.72 2.84 0.00 0.00 7.00 6.91 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 8 N 7.81 4.99 0.00 2.54 2.84 0.00 0.00 6.94 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 7.67 4.56 0.00 1.92 1.84 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.34 1.31 7.81 10 E 7.76 4.50 0.00 1.94 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 2.21 2.18 0.00 11 L 7.79 4.51 0.00 1.70 1.69 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 12 E 7.74 4.57 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 2.18 2.16 0.00 13 K 7.63 4.26 0.00 2.09 1.84 0.00 1.49 0.00 0.00 1.66 0.00 0.00 3.17 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.53 7.81 14 L 7.59 4.10 0.00 1.88 1.71 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 15 A 7.57 4.35 1.27 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 *16 Y 7.65 4.32 0.00 2.28 2.30 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 17 E 8.10 4.46 0.00 2.08 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 2.47 0.00 18 Y 7.87 4.05 0.00 3.27 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 Q 8.21 4.21 0.00 2.10 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.61 0.00 0.00 0.00 0.00 0.00 2.36 1.98 0.00 20 V 7.30 3.77 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 1.00 0.00 0.00 21 L 8.16 4.19 0.00 1.88 1.55 0.90 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 22 Q 7.71 3.85 0.00 2.21 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.63 0.00 0.00 0.00 0.00 0.00 2.27 2.23 0.00 23 A 7.39 4.62 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 24 Q 7.86 4.14 0.00 2.13 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.69 0.00 0.00 0.00 0.00 0.00 2.31 2.18 0.00 25 A 7.47 4.66 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 26 Q 7.97 4.00 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.76 0.00 0.00 0.00 0.00 0.00 2.27 2.23 0.00 27 I 7.63 4.09 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.48 0.90 0.00 0.00 28 L 7.87 4.02 0.00 1.70 1.75 0.90 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 29 A 7.43 4.04 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 30 Q 7.59 4.03 0.00 2.17 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.76 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 31 N 8.21 4.41 0.00 2.80 2.86 0.00 0.00 6.73 6.85 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 32 L 7.71 4.15 0.00 1.91 1.65 0.97 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 33 E 7.75 4.24 0.00 2.16 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 2.34 0.00 34 L 7.67 4.13 0.00 1.84 1.71 0.93 0.67 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 35 L 7.70 4.01 0.00 1.74 1.77 1.03 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 36 N 7.90 4.38 0.00 2.92 3.06 0.00 0.00 7.09 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.15 4.01 0.00 1.84 1.68 0.93 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 38 A 7.88 3.78 0.91 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 39 K 7.84 3.48 0.00 1.63 1.73 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.44 7.81 40 A 7.46 4.13 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 E 8.05 3.83 0.00 2.00 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 2.28 2.29 0.00 42 V 7.78 3.58 2.18 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 1.00 0.00 0.00 1.02 0.00 0.00 43 Q 8.24 4.00 0.00 2.34 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.57 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 44 T 7.54 3.96 4.37 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 1.27 0.00 0.00 45 V 8.02 3.72 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 1.00 0.00 0.00 46 R 8.35 4.03 0.00 2.00 2.07 0.00 3.38 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 47 E 8.27 3.97 0.00 2.00 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 2.25 2.20 0.00 48 T 8.36 4.11 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 1.30 0.00 0.00 49 L 7.58 4.01 0.00 1.94 1.72 0.96 0.89 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 50 E 8.20 4.03 0.00 1.94 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 51 N 8.11 4.52 0.00 2.88 2.86 0.00 0.00 6.57 6.99 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 52 L 7.98 3.98 0.00 1.87 1.91 0.93 0.41 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 53 K 7.98 3.72 0.00 1.95 2.02 0.00 1.85 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.49 7.81 54 K 7.78 4.45 0.00 1.93 1.84 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.59 7.81 55 I 6.99 3.76 1.87 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 1.23 1.35 0.98 0.00 0.00 56 E 8.78 3.99 0.00 1.97 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 2.29 2.33 0.00 57 E 7.38 4.04 0.00 1.94 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 2.35 2.27 0.00 58 E 8.85 3.45 0.00 2.07 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 2.29 2.37 0.00 59 K 5.66 4.54 0.00 1.66 1.81 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.39 7.81 60 P 0.00 4.37 0.00 2.07 1.98 0.00 3.77 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.25 0.00 61 E 8.75 4.85 0.00 1.85 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 62 I 8.88 4.76 1.90 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 1.24 0.89 0.92 0.00 0.00 63 L 8.48 5.25 0.00 1.45 1.70 0.90 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 64 V 8.67 4.23 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 0.84 0.00 0.00 0.95 0.00 0.00 65 P 0.00 4.31 0.00 1.99 1.87 0.00 3.66 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.32 0.00 66 I 9.36 4.44 1.81 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.53 0.93 0.00 0.00 67 G 7.12 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 A 8.14 4.22 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.32 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 0.00 0.00 0.00 0.00 70 S 7.06 4.90 0.00 3.67 3.70 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 71 F 8.67 5.32 0.00 2.86 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 72 L 8.94 4.94 0.00 1.59 1.55 0.93 0.80 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 73 K 8.64 4.62 0.00 1.78 1.72 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.44 7.81 74 G 8.80 4.37 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 0.00 75 V 8.10 5.11 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 0.75 0.00 0.00 1.01 0.00 0.00 76 I 8.70 4.05 1.88 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 1.42 0.62 0.92 0.00 0.00 77 V 8.59 3.84 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.94 0.00 0.00 78 D 7.57 4.82 0.00 2.71 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.18 4.12 0.00 1.76 1.82 0.00 1.82 0.00 0.00 1.95 0.00 0.00 3.19 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.47 7.81 80 N 7.97 4.67 0.00 3.01 2.84 0.00 0.00 6.60 6.80 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 81 N 7.77 5.72 0.00 2.60 2.79 0.00 0.00 6.68 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 82 A 9.07 4.66 1.20 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 0.00 0.00 83 I 8.48 4.48 1.88 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 1.23 0.46 0.92 0.00 0.00 84 V 8.57 4.43 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 1.30 0.00 0.00 1.04 0.00 0.00 85 S 8.91 4.51 0.00 3.93 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 V 8.40 3.86 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.93 0.00 0.00 87 G 7.63 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 88 S 9.40 3.46 0.00 4.08 4.10 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 0.00 0.00 0.00 89 G 9.12 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 90 Y 7.81 4.98 0.00 3.00 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 91 A 8.62 5.09 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 V 8.55 4.39 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 0.63 0.00 0.00 0.73 0.00 0.00 93 E 8.67 4.63 0.00 1.97 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 0.00 2.28 2.34 0.00 94 R 9.06 4.92 0.00 1.69 1.75 0.00 3.30 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 95 S 8.70 4.66 0.00 4.01 3.99 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 0.00 0.00 0.00 96 I 8.60 3.70 1.88 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 1.66 0.96 0.93 0.00 0.00 97 D 8.01 4.34 0.00 2.70 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 98 E 8.22 4.03 0.00 2.17 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 99 A 8.51 4.06 1.41 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 0.00 0.00 0.00 100 I 8.14 3.67 2.03 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 1.43 0.75 0.95 0.00 0.00 101 S 8.56 4.09 0.00 3.99 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 0.00 102 F 8.44 4.25 0.00 3.11 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 L 8.31 3.89 0.00 1.95 1.71 0.97 0.84 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 0.00 104 E 8.47 3.98 0.00 2.14 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 2.33 2.43 0.00 105 K 7.67 3.99 0.00 1.76 1.74 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.67 7.81 106 R 7.62 3.81 0.00 1.57 1.87 0.00 3.05 0.00 0.00 3.04 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.82 0.00 107 L 8.06 4.24 0.00 2.03 1.84 0.97 0.50 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 0.00 108 K 7.58 4.23 0.00 1.95 1.81 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.58 7.81 109 E 7.65 3.90 0.00 1.88 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 2.22 2.51 0.00 110 Y 7.79 4.12 0.00 3.11 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 0.00 111 D 7.94 4.42 0.00 3.01 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 0.00 112 E 7.99 4.13 0.00 1.99 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 2.27 2.48 0.00 113 A 7.83 4.05 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 0.00 114 I 7.90 3.68 2.05 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 1.56 0.88 0.96 0.00 0.00 115 K 7.58 3.90 0.00 2.08 1.86 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.47 1.69 7.81 116 K 7.93 3.83 0.00 1.83 1.97 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.50 7.81 117 T 7.90 3.98 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 1.23 0.00 0.00 118 Q 8.40 4.22 0.00 2.37 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.67 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 119 G 8.03 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 A 7.94 4.12 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 0.00 121 L 7.62 4.01 0.00 1.68 1.75 0.90 1.21 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 0.00 122 A 7.34 4.12 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 0.00 123 E 8.04 3.97 0.00 2.08 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 2.30 2.35 0.00 124 L 7.74 4.10 0.00 1.70 1.65 0.89 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 125 E 7.95 4.19 0.00 2.12 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 2.31 2.41 0.00 126 K 7.65 4.19 0.00 1.81 1.93 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.52 7.81 127 R 8.11 4.15 0.00 1.90 1.95 0.00 3.35 0.00 0.00 3.25 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 128 I 7.55 3.95 1.82 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.68 0.74 0.00 0.00 129 G 7.82 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 0.00 130 E 8.22 4.06 0.00 2.08 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 2.30 2.41 0.00 131 V 7.24 3.86 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 1.19 0.00 0.00 1.03 0.00 0.00 132 A 8.39 4.23 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 0.00 133 R 7.47 4.20 0.00 1.79 2.09 0.00 3.10 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 134 K 7.95 4.11 0.00 1.85 1.85 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.64 7.81 135 A 8.04 4.34 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 0.00 136 Q 7.94 4.12 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.66 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 137 E 7.92 4.59 0.00 2.09 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 2.20 2.18 0.00 138 V 7.35 4.08 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.93 0.00 0.00 139 Q 8.27 4.49 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.80 0.00 0.00 0.00 0.00 0.00 2.28 2.24 0.00 140 Q 7.72 4.36 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.86 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 141 K 8.03 4.54 0.00 1.72 1.83 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.32 7.81 142 Q 7.58 4.48 0.00 2.19 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.77 6.86 0.00 0.00 0.00 0.00 0.00 2.26 2.23 0.00 143 S 7.76 4.78 0.00 3.73 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 M 7.85 4.71 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.75 0.00 145 T 7.46 4.11 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 0.00 146 S 7.32 4.57 0.00 4.07 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 0.00 147 F 7.26 4.37 0.00 3.09 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 0.00 148 K 6.34 3.80 0.00 1.76 1.50 0.00 1.87 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.52 0.00 0.00 0.00 0.00 1.22 0.95 7.81 149 V 7.88 3.54 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 0.99 0.00 0.00 0.94 0.00 0.00 150 K 8.41 4.16 0.00 1.87 1.73 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.44 7.81 151 K 8.56 4.11 0.00 1.86 1.77 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.34 1.39 7.81 * Residues marked with a * may have inaccurate shift predictions.