NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.3822 0.0000 0.0000 62.9594 32.3224 175.4021 2 M 4.4746 7.8396 118.0558 55.1552 33.1649 174.6582 3 I 4.7830 9.0488 122.6049 59.3947 41.5523 173.8898 4 L 4.8433 8.9355 128.3912 53.1738 44.6982 175.0730 5 G 4.3933 8.4353 113.0709 44.1332 0.0000 172.3535 *7 W 5.2254 8.3568 122.2871 56.6510 30.2608 177.0985 8 N 4.2776 8.8873 119.8744 55.8736 38.3737 175.2889 9 V 3.9644 8.0174 112.3073 60.9110 33.0613 175.9495 10 R 4.0532 8.3780 120.0684 59.8903 31.5229 177.4957 11 G 3.9214 7.2411 103.5901 44.3948 0.0000 178.5049 12 L 4.0600 8.6291 128.5692 57.5465 41.4483 178.1427 13 T 4.0487 7.9152 112.8298 64.4348 67.3293 175.6294 14 H 4.2154 7.9913 120.3362 59.2741 29.9360 175.3778 15 P 4.4237 0.0000 0.0000 65.3827 31.1363 178.7863 16 I 3.6795 7.5754 118.4362 64.5398 37.2756 178.2653 17 R 4.0597 8.2817 119.0075 59.5230 29.6710 179.2197 18 L 4.1761 7.7879 117.6730 57.6011 41.6967 178.9165 19 L 3.8372 7.6315 119.1887 57.7010 42.2734 178.4507 20 L 4.1427 8.4106 119.3605 57.7294 41.4240 179.7697 21 E 4.3281 8.1754 117.3727 56.7738 29.3247 178.3407 *23 T 4.1439 7.7106 106.8996 60.3398 70.3238 172.9479 24 D 4.4129 8.8900 121.0661 55.6400 38.9680 174.3307 25 S 4.2862 8.5017 114.1265 58.5853 63.7196 173.9288 26 S 4.6343 8.3225 118.3213 56.8993 64.3205 172.8274 *28 E 4.2440 8.5324 124.8146 56.4548 31.2015 174.2227 29 E 5.0635 8.6424 119.5090 54.8407 33.1034 176.5946 30 K 4.4722 8.8402 121.4705 54.8117 33.7697 176.2440 31 R 4.6695 8.1442 123.7687 54.5229 32.3468 175.1237 *33 A 4.1068 8.2203 121.2354 52.6120 19.4345 175.2489 34 M 3.9353 8.2620 123.0454 53.3355 32.5175 175.6461 35 G 4.0741 10.3184 113.9520 46.2318 0.0000 170.3305 36 D 5.0310 8.3735 119.2605 51.3720 44.2588 175.1618 37 A 3.9082 8.6413 123.7892 51.8869 18.1263 174.9693 38 P 4.1644 0.0000 0.0000 61.6006 32.1812 181.0386 39 D 3.8413 8.0540 121.5077 54.2924 41.4431 173.1691 *41 D 4.4088 8.3305 123.0524 55.3870 42.0970 176.2342 42 R 5.2022 8.3895 121.7573 55.2431 29.8604 177.7480 43 S 3.6139 7.9144 108.0695 61.7110 63.1468 176.6022 44 Q 3.5259 8.0704 117.5001 57.1120 29.6786 179.1992 45 W 4.5457 8.4525 130.1826 60.1324 30.6820 178.3217 46 L 3.7275 8.2958 117.6558 57.6927 41.1313 179.0980 47 N 4.4915 10.0907 115.5198 55.2338 38.5086 176.1360 48 E 4.4981 8.2111 117.5953 56.4784 30.9224 178.3791 49 K 2.5540 8.3479 120.7720 58.5433 32.1420 176.4837 50 F 4.3930 7.6767 114.2677 57.4114 39.2576 176.0428 51 K 4.4190 9.2564 119.5294 56.3180 32.3885 177.0112 52 L 4.1896 7.8109 118.2960 54.7655 42.1236 177.4874 53 G 3.8861 8.1801 106.1332 45.8675 0.0000 173.4883 54 L 4.3307 7.6047 118.4017 53.8625 42.5066 176.8874 55 D 4.3279 8.7431 122.7433 57.0652 40.9874 177.7324 56 F 4.6642 7.5954 122.1868 54.2209 39.0361 171.4191 57 P 4.1376 0.0000 0.0000 62.6092 31.0236 175.1117 58 N 4.5487 8.4617 119.4849 53.0750 41.5075 173.0577 59 L 4.1183 7.8604 122.3160 52.1099 43.5989 174.9736 60 P 5.1552 0.0000 0.0000 60.9520 33.8021 173.8785 *62 L 4.2391 8.2398 118.9368 55.6741 43.6125 176.7175 63 I 4.8136 9.0832 128.1869 59.7959 39.7382 174.4992 64 D 4.4329 9.2194 127.4138 51.9212 41.6745 177.5301 65 G 3.8891 8.7457 117.7534 45.9991 0.0000 174.2154 66 S 4.1562 9.0777 119.7109 60.4146 63.4901 174.4669 67 R 3.9818 7.9870 121.5118 55.7312 29.5044 175.5470 68 K 4.8480 8.5211 122.8076 55.2436 34.6128 175.4691 69 I 4.5814 8.3838 126.7775 59.6363 38.9550 175.8015 70 T 4.4210 8.5354 116.9244 60.7804 71.9469 170.2018 71 Q 3.6356 8.6216 128.2960 55.5180 27.2756 174.5057 72 S 4.0959 8.7044 119.1845 62.0182 62.5231 176.3703 73 N 4.3260 8.0858 118.8979 55.6579 38.1626 177.1940 74 A 3.9432 7.8286 121.1860 55.1140 18.6610 179.0754 75 I 3.7653 7.5469 117.1130 64.9006 37.5202 178.1302 76 M 4.1982 8.1853 119.6032 58.3670 31.7061 179.4429 77 R 4.0736 7.9206 116.9131 56.6154 30.2670 178.7015 *79 L 4.1504 7.9832 120.6988 54.8757 43.9403 179.2462 80 A 3.9015 7.9808 121.2418 55.4210 18.8487 179.6169 81 R 3.9676 8.3053 115.1104 59.3895 30.3155 179.0446 82 K 3.6597 8.0705 116.7664 59.2436 31.9812 176.7291 83 H 4.6737 7.6518 112.8272 55.0095 29.6518 173.8728 84 H 4.0832 7.5630 114.2713 57.7038 26.1477 174.9829 85 L 4.7151 8.7546 112.9659 54.7400 42.6355 177.2174 86 C 4.6622 7.8775 115.9354 57.6341 30.1709 173.8760 87 G 3.8382 8.4297 109.9298 46.1154 0.0000 173.3621 88 E 4.3968 10.6735 121.3295 57.0363 31.2363 177.4086 89 T 4.5124 7.6501 108.6486 59.9784 72.1630 175.1453 90 E 3.9260 8.5499 121.6198 59.5143 29.7626 178.4108 91 E 3.9796 8.1807 118.7765 59.4752 29.7550 178.5438 92 E 4.0945 8.1897 118.5844 59.2708 29.2718 179.6481 93 R 3.9735 7.9147 118.0956 59.1806 30.1828 178.8555 94 I 4.0339 7.7819 119.5830 64.6536 37.2040 178.4482 95 R 4.2625 8.0048 118.0168 59.4400 29.9589 178.9615 96 A 4.0965 8.1253 120.1992 55.4552 18.3444 179.3265 97 D 4.3388 9.1100 118.4964 57.5661 40.7729 179.2198 98 I 3.6464 8.2535 120.5192 64.3830 37.1965 178.4600 99 V 3.2662 7.6796 118.8921 65.9214 31.3918 177.4882 100 E 3.8425 8.0750 118.8169 59.5441 29.4714 178.6813 101 N 4.3021 7.8130 116.4651 56.1885 38.5909 177.1708 102 Q 3.8208 8.2175 121.3103 59.1073 29.0342 178.5071 103 V 3.4640 8.1129 119.4584 66.1668 31.4685 177.5674 104 M 3.9632 7.7773 117.2681 58.7252 32.0027 177.5324 105 D 4.3785 7.9087 118.9590 57.8804 41.1865 178.9701 106 N 4.5848 8.1737 117.8302 55.6649 38.4176 177.5890 107 R 3.9410 8.2359 120.5738 59.5889 30.1445 178.4838 108 M 4.0440 8.3384 118.7395 58.4715 31.8665 178.3599 109 Q 4.0971 8.2768 118.5261 59.4295 29.0044 179.5807 110 L 3.5325 7.8871 120.2757 57.8715 42.1867 179.0283 111 I 3.8673 7.9362 120.1171 64.4632 36.8354 178.2014 112 M 4.1368 8.5788 119.2578 58.1510 31.9735 178.2762 113 L 4.1035 7.5450 120.5158 58.5481 42.1018 178.9659 114 C 3.6104 7.9508 116.2447 61.8358 27.6189 174.6529 115 Y 4.1914 7.2919 115.4993 56.3733 38.5503 174.6848 116 N 4.7450 7.8605 121.0017 51.8361 39.9176 174.1624 117 P 4.3040 0.0000 0.0000 65.3350 31.7807 176.1110 118 D 4.8840 10.1637 117.3916 53.9591 41.8996 178.2032 119 F 4.1405 8.2676 120.5848 61.3907 39.1382 175.7209 120 E 3.6787 8.3076 115.9014 59.4294 29.2699 179.3093 121 K 4.0706 7.7464 116.8987 59.2192 32.5712 178.7363 122 Q 4.0778 8.3815 119.8470 60.5737 29.0217 178.1070 123 K 3.8382 8.3244 117.4431 57.6672 32.3998 175.5623 124 P 4.1776 0.0000 0.0000 66.4035 31.0855 178.1494 125 E 3.9410 8.0978 116.6119 58.9686 29.7321 178.7524 126 F 4.1880 8.4574 120.7446 61.1194 39.4879 177.0125 127 L 4.1560 8.7151 119.1551 57.9286 41.2223 179.5156 128 K 3.9383 7.6902 117.3521 59.4467 32.2215 178.6922 129 T 4.0806 7.5724 108.8077 63.2738 69.0277 176.8397 130 I 3.5391 7.2910 123.0070 64.0906 37.1502 175.9098 131 P 4.3219 0.0000 0.0000 65.8322 31.2022 178.1688 132 E 3.9013 8.1547 116.4152 59.4817 29.1957 179.2172 133 K 3.7217 7.5647 116.6671 59.9523 32.2509 178.6414 134 M 3.9444 8.0191 117.4450 58.2795 32.1161 178.3328 135 K 3.5423 8.1383 119.6713 59.2817 32.3172 180.1013 136 L 4.2657 7.5157 117.5355 54.8867 41.4208 179.2519 *138 S 4.3136 8.0354 114.2839 58.5333 64.0410 175.6621 139 E 3.9667 8.3202 118.3031 59.3357 29.2224 178.6975 140 F 4.3305 8.5686 120.1188 61.1732 39.6813 176.7304 141 L 3.5681 8.0143 119.6089 56.1528 42.1671 177.9119 142 G 3.6594 8.6625 106.4325 46.8834 0.0000 174.7135 143 K 4.3169 8.5221 123.4453 56.0413 33.0098 176.6271 144 R 4.0284 7.4085 119.5603 55.5201 30.5351 175.1365 145 P 3.9622 0.0000 0.0000 64.5600 31.7942 176.6325 146 W 5.4226 7.6335 116.7133 54.1883 32.7249 176.1200 147 F 3.8606 9.7352 119.8406 60.3811 38.4834 176.7558 148 A 4.6495 8.7164 121.1571 51.6030 20.8105 178.7689 149 G 4.3312 6.7385 104.5919 46.6291 0.0000 175.8728 150 D 4.6744 8.6959 124.6628 55.2734 41.1896 176.1700 151 K 4.7361 7.8020 117.2176 54.1569 35.2070 176.0612 152 V 3.4440 7.7577 120.8827 63.4940 33.6290 172.8226 153 T 4.7230 10.0927 114.8710 62.2988 67.8550 177.3061 *155 V 4.1884 8.8819 118.4497 61.1115 33.7621 177.0096 156 D 4.7758 8.2721 119.1555 57.2124 40.6458 178.2263 157 F 3.8869 8.5581 117.4909 59.9411 39.3605 177.4855 158 L 4.1808 7.8912 118.0656 57.6509 41.5897 180.3479 159 A 3.7020 7.9077 118.0278 52.5812 18.0141 178.6613 *161 D 4.4898 8.0290 121.2671 55.9602 42.9986 177.8312 162 I 3.7951 7.7391 118.2529 64.3959 37.0699 178.1892 163 L 4.1908 8.3486 119.2485 57.6519 41.5933 178.6811 164 D 4.6839 8.1816 117.8940 57.1812 41.1748 178.9148 165 Q 4.3916 8.1768 116.9987 57.0286 28.7768 177.4090 *167 H 4.8960 8.2483 122.3523 57.1272 31.7823 175.0616 168 I 3.9731 7.5942 119.6124 63.8353 37.4377 177.1801 169 F 3.7953 8.2636 121.7397 60.4317 39.4424 175.0974 170 E 4.6793 7.8168 119.4361 53.3184 29.1072 174.0293 171 P 4.8356 0.0000 0.0000 64.2627 32.3398 177.3500 172 K 4.8750 9.1930 116.4544 55.5590 33.1561 177.7913 173 C 4.0207 9.1573 114.6866 60.7122 29.5079 174.8242 174 L 4.7950 7.9371 118.4088 55.2116 42.6115 177.8054 175 D 4.3946 8.2691 119.2656 57.3989 40.8167 178.1469 176 A 4.1228 7.5277 118.1225 52.1523 19.1500 177.5920 177 F 4.8680 8.2318 116.0400 54.2191 40.1531 173.5454 178 P 4.3757 0.0000 0.0000 65.0514 31.4025 177.5768 179 N 4.7643 8.1557 117.0730 55.3765 37.0679 177.2330 180 L 4.1215 7.9531 120.7712 57.7252 41.9851 179.3506 181 K 4.0873 7.9872 117.9866 59.5873 31.8588 179.2133 182 D 4.3828 8.4524 119.4475 57.0338 40.6516 178.3985 183 F 3.9843 8.2899 121.2567 61.2164 39.3575 177.0777 184 L 4.0275 8.1529 118.2063 57.7616 41.5106 179.3344 185 A 3.9660 7.7872 119.9336 55.2631 18.2569 179.5106 186 R 3.8256 8.6752 118.2527 59.5629 29.8621 178.4668 187 F 4.2326 8.5205 120.1529 61.4484 39.5225 176.8173 188 E 4.1450 8.5788 116.9781 58.6012 29.1822 179.4846 189 G 3.7597 8.2802 105.7310 47.6998 0.0000 174.1136 190 L 3.5251 7.4427 122.5244 53.0591 39.9272 177.8295 191 K 4.0322 8.5595 123.7925 59.9000 32.2698 178.7259 192 K 4.0820 7.7865 116.8355 58.4288 32.3602 178.5816 193 I 3.9025 8.5882 121.0581 63.6828 37.7832 177.2283 194 S 4.1248 8.1291 114.2395 61.4984 62.8960 176.0701 195 A 3.8377 8.1366 122.1935 53.9787 18.5122 178.5548 *197 M 4.4814 7.9360 116.3712 55.6701 33.9364 177.3256 198 K 4.0983 8.6035 117.7804 58.9364 32.3831 177.7384 199 S 4.2453 7.4692 112.0817 58.6168 63.0872 174.8117 200 S 4.3428 8.5117 116.2315 60.0464 63.0465 175.5182 201 R 4.0848 7.1589 117.0172 54.1239 27.7807 173.8824 *203 L 3.9979 7.7772 124.2314 55.6473 42.3945 176.6906 204 S 4.2097 8.7493 122.3924 61.2497 63.2067 175.1201 205 T 4.4588 7.5856 114.9058 60.9602 70.4468 171.6626 206 P 4.7715 0.0000 0.0000 60.3992 34.4237 175.8429 207 I 3.5521 7.0833 118.3427 63.0854 37.1051 176.4457 208 F 5.2189 5.7979 113.3551 54.8633 41.2973 175.2980 209 S 5.6159 8.5395 117.8208 57.9120 63.9600 174.2895 210 K 3.9579 9.4552 111.4955 59.0713 32.3263 179.5354 211 L 3.4970 9.1930 114.0815 57.7710 42.7783 176.1296 212 A 2.5800 6.9073 117.2808 50.0738 18.7133 177.3700 213 Q 3.6743 9.6785 123.2306 57.2482 28.9339 176.3040 214 W 4.3109 6.6654 126.3000 56.7605 32.8106 173.5185 215 S 3.3448 7.9527 121.1078 58.5431 58.4733 168.0047 216 N 5.5561 7.4943 114.2421 51.7366 38.3394 176.0460 217 K 4.0581 7.6475 126.1756 56.8208 32.3509 175.8641 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 1 P 0.00 4.38 0.00 2.36 2.11 0.00 3.72 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 1.88 1.99 0.00 2 M 7.84 4.47 0.00 1.91 2.12 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.76 0.00 3 I 9.05 4.78 1.85 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 1.10 0.92 0.89 0.00 0.00 4 L 8.94 4.84 0.00 1.69 1.45 0.86 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 5 G 8.44 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *7 W 8.36 5.23 0.00 3.36 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 8 N 8.89 4.28 0.00 2.74 2.93 0.00 0.00 7.07 7.68 0.00 0.00 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 V 8.02 3.96 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 0.69 0.00 0.00 1.05 0.00 0.00 10 R 8.38 4.05 0.00 1.68 1.98 0.00 3.01 0.00 0.00 3.02 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.43 0.00 11 G 7.24 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 8.63 4.06 0.00 1.61 1.74 0.90 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 13 T 7.92 4.05 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 1.26 0.00 0.00 14 H 7.99 4.22 0.00 3.34 3.35 0.00 5.84 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 15 P 0.00 4.42 0.00 2.24 2.17 0.00 3.76 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.33 0.00 16 I 7.58 3.68 2.05 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 1.61 0.65 0.88 0.00 0.00 17 R 8.28 4.06 0.00 1.90 2.03 0.00 3.17 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 2.00 0.00 18 L 7.79 4.18 0.00 2.18 2.09 0.80 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.63 3.84 0.00 1.66 1.60 0.69 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.41 4.14 0.00 1.86 1.69 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.18 4.33 0.00 2.03 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 2.64 2.48 0.00 *23 T 7.71 4.14 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 1.08 0.00 0.00 24 D 8.89 4.41 0.00 2.68 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 25 S 8.50 4.29 0.00 3.90 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 26 S 8.32 4.63 0.00 3.89 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 *28 E 8.53 4.24 0.00 1.95 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 2.29 0.00 29 E 8.64 5.06 0.00 1.80 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 2.18 2.28 0.00 30 K 8.84 4.47 0.00 1.61 1.65 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.33 1.37 7.81 31 R 8.14 4.67 0.00 1.70 1.92 0.00 3.26 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 *33 A 8.22 4.11 1.51 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 0.00 0.00 34 M 8.26 3.94 0.00 1.58 0.74 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.20 0.00 35 G 10.32 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 36 D 8.37 5.03 0.00 2.63 2.54 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 0.00 0.00 0.00 0.00 37 A 8.64 3.91 1.25 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 47 N 10.09 4.49 0.00 2.71 2.89 0.00 0.00 6.88 7.54 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 48 E 8.21 4.50 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.28 0.00 49 K 8.35 2.55 0.00 0.79 0.74 0.00 1.26 0.00 0.00 0.88 0.00 0.00 2.37 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.30 0.21 7.81 50 F 7.68 4.39 0.00 3.00 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 51 K 9.26 4.42 0.00 1.71 1.82 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.17 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.51 7.81 52 L 7.81 4.19 0.00 1.64 1.72 0.99 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 53 G 8.18 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 54 L 7.60 4.33 0.00 1.66 1.64 1.03 1.12 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 55 D 8.74 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3.03 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 0.00 116 N 7.86 4.74 0.00 2.93 2.90 0.00 0.00 7.18 8.56 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 0.00 117 P 0.00 4.30 0.00 2.10 2.13 0.00 3.76 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 118 D 10.16 4.88 0.00 2.78 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 0.00 119 F 8.27 4.14 0.00 3.35 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 0.00 120 E 8.31 3.68 0.00 1.95 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 2.48 2.42 0.00 121 K 7.75 4.07 0.00 1.98 1.83 0.00 1.74 0.00 0.00 1.61 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.48 7.81 122 Q 8.38 4.08 0.00 2.33 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.49 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 123 K 8.32 3.84 0.00 1.04 1.39 0.00 1.20 0.00 0.00 1.06 0.00 0.00 2.13 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.17 1.36 7.81 124 P 0.00 4.18 0.00 2.27 2.29 0.00 3.69 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.03 0.00 125 E 8.10 3.94 0.00 2.21 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 0.00 2.31 2.32 0.00 126 F 8.46 4.19 0.00 3.04 3.18 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 0.00 127 L 8.72 4.16 0.00 1.91 1.75 0.87 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 128 K 7.69 3.94 0.00 1.90 1.86 0.00 1.58 0.00 0.00 2.05 0.00 0.00 3.16 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.49 7.81 129 T 7.57 4.08 4.01 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 1.13 0.00 0.00 130 I 7.29 3.54 1.89 0.00 0.00 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 1.35 0.57 0.96 0.00 0.00 131 P 0.00 4.32 0.00 2.20 2.23 0.00 3.60 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.24 0.00 132 E 8.15 3.90 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 2.37 2.45 0.00 133 K 7.56 3.72 0.00 1.79 1.79 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.63 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.35 1.52 7.81 134 M 8.02 3.94 0.00 1.40 2.15 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.81 0.00 135 K 8.14 3.54 0.00 2.01 1.78 0.00 1.81 0.00 0.00 2.22 0.00 0.00 3.19 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.50 1.64 7.81 136 L 7.52 4.27 0.00 1.68 1.62 0.85 0.77 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 *138 S 8.04 4.31 0.00 3.72 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 E 8.32 3.97 0.00 2.03 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 2.37 2.48 0.00 140 F 8.57 4.33 0.00 2.97 3.25 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 0.00 141 L 8.01 3.57 0.00 1.08 1.36 -0.12 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 142 G 8.66 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 0.00 0.00 0.00 143 K 8.52 4.32 0.00 1.79 1.85 0.00 1.49 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.25 1.32 7.81 144 R 7.41 4.03 0.00 1.72 1.92 0.00 2.86 0.00 0.00 3.09 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.42 0.00 145 P 0.00 3.96 0.00 1.21 1.90 0.00 3.75 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.01 0.00 146 W 7.63 5.42 0.00 3.80 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 0.00 147 F 9.74 3.86 0.00 3.23 3.45 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 0.00 148 A 8.72 4.65 1.48 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 0.00 0.00 0.00 149 G 6.74 4.33 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 0.00 150 D 8.70 4.67 0.00 2.76 2.83 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 0.00 151 K 7.80 4.74 0.00 1.84 1.81 0.00 1.61 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.36 7.81 152 V 7.76 3.44 1.71 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 0.75 0.00 0.00 -0.82 0.00 0.00 153 T 10.09 4.72 4.50 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 0.00 0.00 0.00 1.32 0.00 0.00 *155 V 8.88 4.19 2.14 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 0.91 0.00 0.00 1.13 0.00 0.00 156 D 8.27 4.78 0.00 3.17 3.19 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 0.00 157 F 8.56 3.89 0.00 3.01 3.19 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 0.00 158 L 7.89 4.18 0.00 1.80 1.67 0.92 0.83 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 0.00 159 A 7.91 3.70 0.66 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 0.00 0.00 *161 D 8.03 4.49 0.00 2.88 2.89 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 0.00 0.00 0.00 162 I 7.74 3.80 2.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.90 0.86 0.00 0.00 163 L 8.35 4.19 0.00 1.70 1.84 0.91 1.02 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 0.00 164 D 8.18 4.68 0.00 2.87 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 0.00 165 Q 8.18 4.39 0.00 2.54 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.15 0.00 0.00 0.00 0.00 0.00 2.69 2.58 0.00 *167 H 8.25 4.90 0.00 3.37 3.72 0.00 5.68 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 I 7.59 3.97 2.33 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 1.30 1.04 1.32 0.00 0.00 169 F 8.26 3.80 0.00 2.81 2.96 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 0.00 170 E 7.82 4.68 0.00 2.17 1.93 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 2.35 2.54 0.00 171 P 0.00 4.84 0.00 2.13 2.14 0.00 4.01 0.00 0.00 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.02 0.00 172 K 9.19 4.88 0.00 2.07 1.86 0.00 1.62 0.00 0.00 1.81 0.00 0.00 3.11 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.69 7.81 173 C 9.16 4.02 0.00 3.19 3.25 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 0.00 174 L 7.94 4.79 0.00 1.82 1.80 1.04 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 175 D 8.27 4.39 0.00 2.66 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 0.00 176 A 7.53 4.12 0.46 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 0.00 177 F 8.23 4.87 0.00 3.10 2.98 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 0.00 178 P 0.00 4.38 0.00 2.16 2.10 0.00 3.59 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.11 0.00 179 N 8.16 4.76 0.00 2.85 3.06 0.00 0.00 6.75 6.67 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 0.00 180 L 7.95 4.12 0.00 2.12 1.89 0.86 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 181 K 7.99 4.09 0.00 1.98 1.90 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.52 1.73 7.81 182 D 8.45 4.38 0.00 2.82 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 0.00 183 F 8.29 3.98 0.00 3.09 3.31 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 0.00 184 L 8.15 4.03 0.00 1.96 1.77 1.01 1.15 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 0.00 185 A 7.79 3.97 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 0.00 186 R 8.68 3.83 0.00 1.77 1.94 0.00 2.87 0.00 0.00 2.90 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.65 0.00 187 F 8.52 4.23 0.00 2.53 2.89 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 0.00 0.00 0.00 188 E 8.58 4.15 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 2.44 2.55 0.00 189 G 8.28 3.76 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 0.00 0.00 0.00 190 L 7.44 3.53 0.00 1.27 1.35 0.26 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 191 K 8.56 4.03 0.00 1.75 1.81 0.00 1.66 0.00 0.00 1.79 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.52 1.45 7.81 192 K 7.79 4.08 0.00 1.70 1.84 0.00 1.71 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.42 7.81 193 I 8.59 3.90 1.69 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 -0.05 0.66 0.00 0.00 194 S 8.13 4.12 0.00 3.97 4.11 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 0.00 195 A 8.14 3.84 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 *197 M 7.94 4.48 0.00 2.07 2.26 0.00 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.63 0.00 198 K 8.60 4.10 0.00 1.80 1.87 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.54 1.57 7.81 199 S 7.47 4.25 0.00 4.00 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 0.00 200 S 8.51 4.34 0.00 3.88 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 0.00 201 R 7.16 4.08 0.00 1.96 1.96 0.00 3.10 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 *203 L 7.78 4.00 0.00 1.65 1.70 0.97 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 204 S 8.75 4.21 0.00 3.90 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 0.00 205 T 7.59 4.46 4.18 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 1.08 0.00 0.00 206 P 0.00 4.77 0.00 1.88 1.86 0.00 3.58 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 1.89 1.89 0.00 207 I 7.08 3.55 0.90 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.57 0.95 0.00 0.00 208 F 5.80 5.22 0.00 3.18 3.43 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 0.00 209 S 8.54 5.62 0.00 3.98 3.76 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 0.00 210 K 9.46 3.96 0.00 1.86 1.52 0.00 1.82 0.00 0.00 1.85 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.45 7.81 211 L 9.19 3.50 0.00 2.07 1.92 1.08 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 212 A 6.91 2.58 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 0.00 213 Q 9.68 3.67 0.00 0.93 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.65 0.00 0.00 0.00 0.00 0.00 2.17 2.57 0.00 214 W 6.67 4.31 0.00 2.74 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 215 S 7.95 3.34 0.00 2.97 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 216 N 7.49 5.56 0.00 2.85 2.97 0.00 0.00 6.26 7.13 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 0.00 217 K 7.65 4.06 0.00 1.71 1.60 0.00 1.70 0.00 0.00 1.80 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.36 7.81 * Residues marked with a * may have inaccurate shift predictions.