NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.5023 8.0748 114.6430 62.2040 68.4117 173.1264 3 N 4.6259 8.9909 127.6805 54.4429 39.2345 173.0072 4 I 5.2249 7.5561 118.0873 59.2198 42.5800 173.0000 5 I 5.1368 8.8031 121.0030 59.0636 41.2589 173.8018 6 K 5.1207 8.8118 125.1774 54.7385 35.6911 174.5697 7 I 5.1403 9.0744 127.3522 59.6479 40.3257 174.2284 8 R 5.3463 9.5658 127.9830 54.5138 32.5661 174.3342 9 A 5.1759 9.7530 128.5525 50.2299 22.2751 174.9673 10 S 4.9438 8.5545 115.5363 56.5363 66.5038 172.7350 11 V 4.5724 9.1392 127.0348 60.9443 33.9536 174.2017 12 F 5.2438 8.2572 121.8427 55.4320 42.1354 173.3610 13 I 4.2201 8.8194 121.6097 58.2832 38.5534 175.9271 14 P 5.1940 0.0000 0.0000 63.0707 30.7624 178.3117 *16 S 4.4535 8.2325 118.2871 58.8074 65.6118 173.9077 17 W 5.6262 7.9848 117.2471 54.7318 32.8292 175.4925 18 T 4.3653 9.2178 114.8942 61.5563 69.3385 173.7723 19 E 4.2401 8.7975 121.4993 55.6622 30.2634 176.8664 20 A 4.2849 8.5952 124.2723 53.1745 19.2626 176.8618 21 K 4.5792 8.6054 120.1417 54.7976 36.4550 173.3714 *23 D 4.5354 8.1441 118.2904 55.1864 42.3802 175.1743 *25 E 4.2302 8.9290 116.5698 56.6863 31.0560 177.9210 26 T 4.0476 7.8743 106.3545 62.1859 69.4629 175.7541 27 G 3.9107 8.0007 109.3147 45.3717 0.0000 173.1655 28 Q 4.6906 7.6256 117.5965 54.6283 30.8831 174.9608 29 V 4.6103 8.2339 121.1229 61.2995 34.2871 174.4917 30 I 5.1216 8.5720 127.7016 59.5823 40.6276 174.5189 31 Q 4.9666 8.8558 122.9553 54.9350 32.6744 173.4668 32 F 5.5729 9.2413 118.2248 55.6077 42.4178 174.7158 33 E 3.1936 8.9786 123.1025 56.1412 29.9073 177.0874 34 G 4.1402 8.2354 115.8095 45.6765 0.0000 172.8425 35 D 4.7780 9.0391 119.9367 52.4795 42.4711 176.6568 36 S 3.6904 8.1011 114.4273 57.2983 60.5754 170.4947 37 R 4.5744 7.2118 114.4736 55.5715 32.3715 173.7807 38 E 4.9026 8.0104 117.9662 54.1023 31.9002 175.7773 39 F 4.1911 8.5633 118.1614 58.7033 39.2942 175.0264 40 T 4.2226 8.2591 116.8236 60.7904 70.3632 171.4643 41 P 3.4406 0.0000 0.0000 63.8849 31.6520 175.9760 42 H 4.6003 7.3248 115.5185 56.0677 29.0425 175.3687 43 A 4.3922 7.5437 120.5583 51.6147 19.4177 178.1203 44 V 4.3499 7.4209 115.6853 64.0497 31.9275 174.9921 45 N 4.2503 8.9332 121.7261 54.3101 36.2297 175.1423 46 T 4.0187 6.8908 107.4791 63.2957 69.5643 175.0720 *48 R 4.2585 7.5837 121.9576 54.7074 32.2153 175.6751 49 S 4.8594 7.5500 111.1443 57.2264 67.3841 175.4674 50 R 4.0861 9.3704 122.3646 58.7817 31.2711 177.0441 51 V 4.8468 7.5365 117.0794 61.4102 35.5859 173.5159 52 E 5.3151 9.4059 127.3038 55.0790 33.6047 173.5161 53 Q 5.1156 9.5091 126.8167 54.8063 33.4399 172.9960 54 E 5.3457 9.7214 125.2305 54.8077 33.0593 174.7264 55 V 4.7849 8.7591 125.2175 61.2371 34.0669 174.6451 56 V 4.9341 9.2236 127.5539 61.1373 34.4856 174.1754 57 V 4.6009 8.6614 128.3570 60.0834 33.7249 174.2826 58 D 5.0112 9.0169 125.9346 52.6639 41.9255 176.7120 59 F 4.6361 9.2140 126.8669 60.3357 39.6118 177.0382 60 Y 4.4106 8.5680 120.8013 60.6484 38.5359 177.2062 61 K 3.9296 8.5145 116.0234 56.3257 33.1460 176.6862 62 Q 3.0218 7.7247 117.0339 56.2575 26.3151 172.6691 63 E 4.7511 7.4287 116.2899 54.7705 35.0516 175.6708 64 V 4.6780 8.0699 121.5091 61.1130 34.0239 174.6375 65 F 5.1364 9.3072 126.3554 55.6719 42.5990 174.3907 66 S 5.2492 8.7345 115.4038 56.9348 65.9087 172.3727 67 Y 5.0124 9.4101 124.3185 55.9367 41.4505 174.0913 68 A 4.7929 7.5652 125.3844 50.6330 22.5915 174.5158 69 N 4.6552 8.6780 117.4384 52.9731 43.0737 173.2151 70 T 5.0107 8.3411 112.5729 59.6250 71.7298 174.0581 71 G 4.0591 8.0533 110.6848 45.4398 0.0000 172.4629 72 I 4.4777 8.0617 120.5275 60.7085 38.3836 176.2198 73 T 4.3772 8.9522 124.5921 63.3640 70.0506 173.8427 74 T 5.1538 8.6493 122.4581 61.8027 72.0713 172.2967 75 E 4.6442 8.9888 128.2297 54.5453 31.7518 174.3795 76 K 4.9832 9.1905 128.2348 54.5018 35.2040 174.6188 77 V 4.6930 8.7711 127.4001 61.1851 34.1816 174.2177 78 I 4.5623 8.7060 129.8839 60.7459 38.8302 175.6898 79 S 4.9642 8.5109 121.9157 56.0065 65.3744 173.5927 80 P 4.4582 0.0000 0.0000 65.0259 31.4859 177.1933 81 D 4.7611 8.1025 116.6278 52.7515 39.4742 177.9343 82 G 4.0333 8.5318 108.2248 45.7814 0.0000 174.8260 83 S 4.2366 7.4986 114.4854 58.1575 63.5890 173.3531 84 V 4.9528 8.1359 122.1706 60.0208 33.6646 174.4533 85 N 5.1042 8.9797 120.6229 51.4193 42.0446 173.4688 86 K 5.1947 8.6660 121.4665 54.9970 34.7173 175.6245 87 R 4.8702 8.7242 121.1015 54.9137 34.7427 174.1204 88 T 5.1602 8.3496 113.7844 61.1258 70.6396 172.7636 89 G 4.2753 8.8986 112.9580 45.2863 0.0000 171.7682 90 K 4.9374 8.4282 120.9787 53.8777 34.5001 175.7874 91 A 4.0281 8.8889 130.3902 52.3693 18.8532 176.8867 92 S 4.2178 8.5078 116.4852 58.7832 63.1996 174.0655 93 T 4.3891 8.2867 115.1498 61.4807 69.2313 176.1545 94 E 3.9211 7.7514 122.5011 59.5837 29.7401 177.4996 95 N 4.7470 8.0515 114.3436 53.0563 38.8542 173.9073 96 I 4.6553 7.7065 120.4085 59.8989 38.2138 175.4851 97 V 4.6277 8.9209 119.9884 59.5592 35.9179 174.7454 98 C 5.1339 8.5793 122.1758 58.0917 33.8968 172.7821 99 T 4.4863 9.1501 119.1744 60.6952 71.3992 172.1995 100 D 4.3997 8.4653 121.9565 55.4649 38.0858 173.5206 101 I 4.4893 7.4206 118.0316 60.9556 38.5217 177.1929 102 V 4.4919 8.9064 127.7759 60.7510 34.4024 174.0125 103 W 5.2722 9.0195 127.4080 55.0448 31.0487 174.7953 104 N 5.2373 9.1449 121.8735 50.5592 39.9450 174.6178 105 S 4.1489 9.0460 111.8883 61.3759 62.3582 175.3861 106 G 4.0568 10.8398 107.1916 44.1077 0.0000 173.9634 107 G 3.9480 6.3121 106.3803 45.2410 0.0000 172.1475 108 V 4.6359 8.0331 119.7158 60.1380 35.0776 174.6754 109 Q 5.0401 8.7526 121.3216 54.5476 32.9483 174.3037 110 F 5.6146 7.6260 115.1440 57.6167 42.1234 171.4624 111 K 5.4756 9.1007 119.2512 53.8528 36.0082 173.9950 *113 S 4.7370 8.5003 113.7192 58.5851 64.6039 172.8104 114 A 4.9298 8.0129 126.2156 49.9617 21.5692 175.0845 115 S 5.4034 8.9204 116.4040 56.0423 65.6203 173.1345 116 A 4.7122 8.4754 127.8686 50.4465 22.4563 175.7453 117 S 4.7553 8.6778 118.2937 57.5792 65.2019 172.8075 118 N 4.6804 8.3788 119.5165 51.6252 39.0958 172.8021 119 P 4.5196 0.0000 0.0000 64.0570 31.7505 176.3822 120 L 4.7240 8.0662 118.5177 55.1497 42.3830 176.1809 121 N 5.0345 8.9256 115.1894 52.9072 38.8224 173.7305 122 V 3.9585 7.4842 117.7682 62.4611 33.0298 176.1261 123 Y 4.6903 8.2301 119.4148 57.3245 36.3716 177.7049 124 A 4.2633 7.8789 124.2384 50.4746 18.1964 176.3970 125 P 4.4703 0.0000 0.0000 62.6019 32.2118 174.9309 126 P 4.6425 0.0000 0.0000 62.7938 32.4008 176.2640 127 V 4.0836 8.3793 122.4837 63.1882 33.1025 174.7161 128 D 5.4984 9.0907 126.0448 52.9419 45.3050 174.0707 129 Y 5.5082 8.6580 119.8533 55.6647 42.7383 174.4136 130 V 4.9504 8.7414 112.0471 59.8642 36.2410 174.3770 131 L 4.8948 8.8344 124.9369 52.9829 44.5376 175.0017 132 N 5.0940 8.7194 122.1815 51.7696 40.1515 174.3750 133 V 4.5543 8.0173 123.9421 59.6286 34.8399 174.3245 134 C 4.7262 8.6444 123.4506 57.6667 34.4712 172.6239 135 V 4.7848 8.6684 127.9180 61.0192 33.0911 175.0969 136 K 4.7355 8.9562 130.0867 55.7774 33.3619 177.8319 137 K 2.8046 9.0661 123.5826 57.4845 31.8057 177.5130 138 D 4.6764 8.0821 117.0998 52.8474 39.9088 176.7230 139 G 4.0416 8.3397 107.9147 45.4721 0.0000 173.8832 140 S 4.9310 7.9659 116.3102 57.7375 64.8232 173.3242 141 I 5.0574 8.2806 115.3247 59.2229 41.4480 173.8165 142 D 4.9389 9.2254 123.8688 52.7964 43.7084 174.3699 143 V 4.7470 8.9752 126.6220 61.2771 34.7349 174.8248 144 Q 4.2998 8.7012 124.9787 54.4055 32.4382 174.2079 145 G 3.9685 7.3425 111.4599 43.9992 0.0000 170.9240 146 E 5.3596 8.4428 118.8966 54.9237 33.9662 174.6361 147 H 5.2732 8.3667 115.4588 54.5812 32.6011 172.7361 148 D 5.0612 8.7639 119.4909 54.1509 41.5777 178.1402 149 G 4.0314 10.8467 110.7843 47.4731 0.0000 173.5438 150 F 5.0269 7.9108 120.3391 55.8967 44.0825 171.0647 151 P 2.9767 0.0000 0.0000 62.6133 29.5937 178.7651 152 C 4.9974 6.4128 112.9843 57.8098 30.8900 171.7794 153 F 5.1558 9.1461 120.1218 55.5780 42.5247 173.9343 154 E 4.9906 8.8595 120.3525 54.5445 33.2607 174.5591 155 F 5.3025 8.4858 119.9226 56.1557 43.0875 173.4694 156 Y 5.5268 9.3245 120.5279 56.0683 42.2812 174.5387 157 K 5.8745 9.1603 119.8747 54.7759 36.4257 175.3302 158 Q 4.5301 8.4444 122.0189 54.6365 32.1244 173.5467 159 V 4.2166 8.3934 127.2477 60.6067 33.1111 176.0673 160 D 4.0670 9.2133 126.6301 55.7514 38.6056 174.2247 161 F 3.9477 7.3283 110.0719 58.4165 37.2301 176.9037 162 G 3.9666 7.5749 110.5216 43.9973 0.0000 172.4441 163 P 4.4508 0.0000 0.0000 62.4375 31.9176 176.1893 164 F 4.7055 8.5184 118.8894 57.6546 40.0276 174.9234 165 E 4.8601 9.4955 121.3148 54.1163 33.2199 175.1905 166 K 4.2036 9.0726 126.1763 57.4458 32.3508 176.0669 167 I 4.2275 8.7037 129.4427 63.1382 37.9022 175.5038 168 Y 4.6155 7.3336 120.3067 56.6959 41.8618 172.5263 169 T 4.9219 7.2727 115.1613 59.8872 72.2624 172.3418 170 H 4.5909 9.4137 123.6925 54.3872 33.0132 171.6742 171 D 5.2194 8.2763 125.7993 52.2285 42.4711 176.3916 172 F 4.2850 8.7647 122.9797 59.4176 38.2359 177.7994 173 R 3.8274 6.5216 117.0294 58.3820 29.6972 177.7848 174 E 4.0210 8.0876 118.2860 59.0540 29.4384 177.7912 175 T 4.4179 7.9010 106.2519 60.6936 69.6448 174.9747 176 G 4.0651 8.0858 107.6995 47.7758 0.0000 171.9368 177 D 5.2368 8.5031 115.8422 52.8657 45.3352 175.7687 178 T 4.7389 8.1139 115.1291 60.8542 72.5698 175.2237 179 A 2.5800 7.8049 123.7824 54.2358 18.0278 179.7496 180 A 3.8673 7.7872 118.9425 55.0271 18.2204 179.2626 181 A 4.1354 8.0507 118.6071 54.5386 18.4254 179.2003 182 L 4.2883 7.5455 117.6760 57.6960 42.0194 178.0198 183 G 3.8737 7.8581 106.1070 45.3400 0.0000 174.8352 184 G 3.7830 8.3616 106.3827 46.5436 0.0000 172.0176 185 N 4.3787 8.3406 117.8656 54.5780 39.6188 175.2613 *187 D 4.6820 8.3047 121.9921 54.2190 44.2242 175.7538 188 Y 4.7481 8.0868 114.7792 56.4369 41.2654 175.0258 189 S 5.2167 8.4048 114.0579 57.8483 66.1300 173.0379 190 F 5.0126 8.5152 114.6304 56.1920 41.1186 172.9869 191 T 4.9036 8.3287 109.2762 60.2114 72.0072 173.2383 192 K 4.8191 9.1099 122.1369 55.2444 37.2128 174.8986 193 R 5.1215 8.6222 120.5962 54.3406 32.0843 175.2994 194 L 4.3013 8.5465 123.1674 55.4787 42.6123 175.3248 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 T 8.07 4.50 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 1.18 0.00 0.00 3 N 8.99 4.63 0.00 2.93 2.81 0.00 0.00 6.00 6.34 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 4 I 7.56 5.22 1.86 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 1.19 1.62 0.54 0.00 0.00 5 I 8.80 5.14 1.94 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.59 1.10 0.00 0.00 6 K 8.81 5.12 0.00 1.85 1.75 0.00 1.74 0.00 0.00 1.84 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.47 7.81 7 I 9.07 5.14 2.12 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.20 1.16 0.00 0.00 8 R 9.57 5.35 0.00 2.09 2.09 0.00 3.40 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.70 0.00 9 A 9.75 5.18 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 10 S 8.55 4.94 0.00 3.88 3.75 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 11 V 9.14 4.57 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 0.32 0.00 0.00 1.01 0.00 0.00 12 F 8.26 5.24 0.00 3.09 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 I 8.82 4.22 1.79 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 0.91 0.55 0.89 0.00 0.00 14 P 0.00 5.19 0.00 2.08 2.24 0.00 3.83 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.64 0.00 *16 S 8.23 4.45 0.00 3.99 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 17 W 7.98 5.63 0.00 3.19 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 18 T 9.22 4.37 4.43 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 0.00 0.00 0.00 1.40 0.00 0.00 19 E 8.80 4.24 0.00 2.07 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 2.44 2.45 0.00 20 A 8.60 4.28 1.24 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 21 K 8.61 4.58 0.00 1.71 1.77 0.00 1.73 0.00 0.00 1.59 0.00 0.00 2.83 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.58 7.81 *23 D 8.14 4.54 0.00 2.77 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *25 E 8.93 4.23 0.00 2.04 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 0.00 2.20 2.32 0.00 26 T 7.87 4.05 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 27 G 8.00 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 28 Q 7.63 4.69 0.00 1.93 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.65 0.00 0.00 0.00 0.00 0.00 2.28 2.23 0.00 29 V 8.23 4.61 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 1.00 0.00 0.00 0.91 0.00 0.00 30 I 8.57 5.12 1.84 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 1.27 0.90 0.66 0.00 0.00 31 Q 8.86 4.97 0.00 2.33 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.71 0.00 0.00 0.00 0.00 0.00 2.18 2.16 0.00 32 F 9.24 5.57 0.00 3.15 3.08 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 0.00 0.00 0.00 0.00 33 E 8.98 3.19 0.00 1.31 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.47 0.00 34 G 8.24 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 0.00 0.00 0.00 35 D 9.04 4.78 0.00 2.74 2.72 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 36 S 8.10 3.69 0.00 3.91 3.81 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 37 R 7.21 4.57 0.00 1.75 1.86 0.00 2.37 0.00 0.00 3.04 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.24 0.00 38 E 8.01 4.90 0.00 1.95 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 2.22 2.27 0.00 39 F 8.56 4.19 0.00 3.06 3.10 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 40 T 8.26 4.22 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 41 P 0.00 3.44 0.00 0.49 0.49 0.00 3.49 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.37 0.00 42 H 7.32 4.60 0.00 3.04 3.25 0.00 5.64 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 A 7.54 4.39 1.10 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 0.00 0.00 44 V 7.42 4.35 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 0.91 0.00 0.00 0.98 0.00 0.00 45 N 8.93 4.25 0.00 2.87 2.86 0.00 0.00 6.94 7.11 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 46 T 6.89 4.02 4.19 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 1.20 0.00 0.00 *48 R 7.58 4.26 0.00 1.73 1.90 0.00 3.27 0.00 0.00 3.16 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.51 0.00 49 S 7.55 4.86 0.00 3.83 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 50 R 9.37 4.09 0.00 1.70 1.91 0.00 3.20 0.00 0.00 3.04 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.61 0.00 51 V 7.54 4.85 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.93 0.00 0.00 52 E 9.41 5.32 0.00 2.11 1.78 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 2.41 2.58 0.00 53 Q 9.51 5.12 0.00 2.30 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.52 0.00 0.00 0.00 0.00 0.00 2.42 2.52 0.00 54 E 9.72 5.35 0.00 2.15 1.97 0.00 0.00 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 0.00 0.00 0.00 0.00 80 P 0.00 4.46 0.00 2.02 2.12 0.00 3.62 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 2.02 2.08 0.00 81 D 8.10 4.76 0.00 2.85 2.82 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 0.00 0.00 0.00 0.00 82 G 8.53 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 S 7.50 4.24 0.00 4.06 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 84 V 8.14 4.95 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 0.70 0.00 0.00 0.83 0.00 0.00 85 N 8.98 5.10 0.00 2.59 2.68 0.00 0.00 6.66 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 86 K 8.67 5.19 0.00 1.63 1.76 0.00 1.57 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.57 7.81 87 R 8.72 4.87 0.00 1.75 1.80 0.00 3.11 0.00 0.00 3.10 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 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0.00 0.00 0.00 0.00 0.00 114 A 8.01 4.93 0.35 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 0.00 115 S 8.92 5.40 0.00 3.92 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 A 8.48 4.71 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 0.00 117 S 8.68 4.76 0.00 3.76 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 N 8.38 4.68 0.00 2.51 2.80 0.00 0.00 6.94 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 0.00 119 P 0.00 4.52 0.00 2.24 2.16 0.00 3.80 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 120 L 8.07 4.72 0.00 2.07 1.89 1.14 1.01 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 0.00 121 N 8.93 5.03 0.00 2.73 2.65 0.00 0.00 6.98 8.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 V 7.48 3.96 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 0.82 0.00 0.00 0.91 0.00 0.00 123 Y 8.23 4.69 0.00 3.03 2.87 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 0.00 124 A 7.88 4.26 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 0.00 125 P 0.00 4.47 0.00 2.20 2.08 0.00 3.76 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 126 P 0.00 4.64 0.00 2.16 2.03 0.00 3.69 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 127 V 8.38 4.08 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 1.09 0.00 0.00 0.97 0.00 0.00 128 D 9.09 5.50 0.00 2.79 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.66 5.51 0.00 3.34 3.28 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 0.00 130 V 8.74 4.95 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 0.92 0.00 0.00 0.91 0.00 0.00 131 L 8.83 4.89 0.00 1.62 1.43 0.66 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 132 N 8.72 5.09 0.00 2.46 2.59 0.00 0.00 6.12 7.28 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 0.00 133 V 8.02 4.55 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.00 0.00 0.13 0.00 0.00 134 C 8.64 4.73 0.00 2.85 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 0.00 135 V 8.67 4.78 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 1.12 0.00 0.00 1.02 0.00 0.00 136 K 8.96 4.74 0.00 1.89 1.85 0.00 1.67 0.00 0.00 1.85 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.59 1.41 7.81 137 K 9.07 2.80 0.00 1.56 1.46 0.00 1.48 0.00 0.00 1.75 0.00 0.00 3.29 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.57 1.31 7.81 138 D 8.08 4.68 0.00 2.71 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 G 8.34 4.04 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 0.00 0.00 0.00 140 S 7.97 4.93 0.00 3.76 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 0.00 141 I 8.28 5.06 1.88 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.76 0.98 0.00 0.00 142 D 9.23 4.94 0.00 2.65 2.46 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 0.00 143 V 8.98 4.75 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 0.72 0.00 0.00 0.89 0.00 0.00 144 Q 8.70 4.30 0.00 1.74 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.43 0.00 0.00 0.00 0.00 0.00 2.06 2.10 0.00 145 G 7.34 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 0.00 146 E 8.44 5.36 0.00 1.87 1.77 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 2.23 2.11 0.00 147 H 8.37 5.27 0.00 2.30 3.21 0.00 5.46 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 D 8.76 5.06 0.00 2.94 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 G 10.85 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 F 7.91 5.03 0.00 3.11 2.82 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 0.00 0.00 0.00 0.00 151 P 0.00 2.98 0.00 1.66 0.49 0.00 2.89 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 1.47 1.51 0.00 152 C 6.41 5.00 0.00 1.30 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 0.00 0.00 0.00 153 F 9.15 5.16 0.00 2.89 2.82 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 0.00 0.00 0.00 0.00 154 E 8.86 4.99 0.00 1.85 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.36 0.00 155 F 8.49 5.30 0.00 2.94 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 Y 9.32 5.53 0.00 3.02 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 K 9.16 5.87 0.00 2.02 2.03 0.00 1.60 0.00 0.00 1.75 0.00 0.00 2.87 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.43 1.27 7.81 158 Q 8.44 4.53 0.00 1.53 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.99 0.00 0.00 0.00 0.00 0.00 2.01 2.03 0.00 159 V 8.39 4.22 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 0.76 0.00 0.00 0.95 0.00 0.00 160 D 9.21 4.07 0.00 2.76 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 F 7.33 3.95 0.00 3.21 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 G 7.57 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 0.00 163 P 0.00 4.45 0.00 2.09 2.05 0.00 3.68 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 164 F 8.52 4.71 0.00 2.88 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 0.00 165 E 9.50 4.86 0.00 1.97 1.91 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 2.29 2.30 0.00 166 K 9.07 4.20 0.00 1.88 1.75 0.00 1.52 0.00 0.00 1.61 0.00 0.00 2.72 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.23 1.38 7.81 167 I 8.70 4.23 2.17 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.81 1.08 0.00 0.00 168 Y 7.33 4.62 0.00 2.73 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 0.00 0.00 0.00 169 T 7.27 4.92 3.35 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 0.76 0.00 0.00 170 H 9.41 4.59 0.00 3.26 3.28 0.00 5.73 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 D 8.28 5.22 0.00 2.83 2.42 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.76 4.28 0.00 3.55 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 R 6.52 3.83 0.00 1.68 1.57 0.00 2.69 0.00 0.00 2.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.47 0.00 174 E 8.09 4.02 0.00 2.05 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 2.27 2.24 0.00 175 T 7.90 4.42 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 1.17 0.00 0.00 176 G 8.09 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 0.00 177 D 8.50 5.24 0.00 3.09 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 0.00 178 T 8.11 4.74 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 1.14 0.00 0.00 179 A 7.80 2.58 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 A 7.79 3.87 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 0.00 181 A 8.05 4.14 1.58 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 0.00 0.00 0.00 0.00 0.00 0.00 182 L 7.55 4.29 0.00 1.87 1.76 1.18 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 183 G 7.86 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 0.00 0.00 0.00 184 G 8.36 3.78 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 0.00 0.00 0.00 185 N 8.34 4.38 0.00 2.70 2.65 0.00 0.00 6.73 8.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *187 D 8.30 4.68 0.00 2.72 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 0.00 188 Y 8.09 4.75 0.00 2.52 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 0.00 189 S 8.40 5.22 0.00 3.78 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 0.00 190 F 8.52 5.01 0.00 2.89 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 0.00 191 T 8.33 4.90 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 1.06 0.00 0.00 192 K 9.11 4.82 0.00 1.81 1.78 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.49 1.84 7.81 193 R 8.62 5.12 0.00 1.77 1.86 0.00 3.00 0.00 0.00 3.14 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.58 0.00 194 L 8.55 4.30 0.00 1.83 1.51 0.97 0.87 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 * Residues marked with a * may have inaccurate shift predictions.