NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5045 8.1627 120.6092 55.3654 33.9557 173.8002 2 K 4.8756 8.5784 126.6307 54.4661 35.5360 173.4576 3 I 4.5848 9.6874 129.5252 59.4950 40.5575 174.1754 4 D 5.0658 8.7733 127.0384 54.2252 41.9020 175.9061 5 I 4.3141 8.0645 122.3930 60.4542 41.0380 176.5020 6 L 3.7489 8.4320 124.5987 55.8956 40.1368 174.7308 7 D 4.6938 9.1277 117.3813 56.6999 40.0498 177.9695 8 K 4.4759 8.2430 114.3252 55.3847 34.2658 176.0772 9 G 4.0720 8.0420 108.6308 45.5193 0.0000 172.4748 10 F 5.2091 7.8296 113.0687 56.3659 41.8125 173.2949 11 V 5.0966 8.9316 119.1362 61.3083 34.4508 173.8075 12 E 5.2642 9.7243 126.0801 54.3203 33.0355 174.6745 13 L 4.3346 8.7339 124.7908 54.9710 42.1976 176.3513 14 V 3.9009 8.4579 127.2969 65.1400 32.2759 175.1852 15 D 4.6304 7.4281 117.2244 53.4631 44.7533 173.8142 16 V 4.4420 7.9189 120.8242 61.4307 35.1369 173.4161 17 M 4.1563 9.2724 128.1664 56.2857 33.7289 175.5380 18 G 4.0960 10.0656 113.8269 45.2408 0.0000 169.7015 19 N 4.6304 8.1809 113.9651 51.3386 40.0297 174.0741 20 D 4.5426 8.7032 116.6704 58.3081 40.7280 178.8507 21 L 4.2006 7.9765 118.4028 57.5212 41.4385 179.6370 22 S 4.1922 8.2501 115.4296 61.3596 62.6625 176.4442 23 A 4.1411 7.9398 123.5127 54.8676 18.2279 179.9043 24 V 3.5322 7.6459 116.2872 66.2120 31.7967 178.1936 25 R 3.8958 8.5954 117.9028 59.2466 29.6946 178.8833 26 A 3.8352 7.5052 118.6101 55.1992 18.4729 179.3674 27 A 4.0308 7.9242 117.8198 54.6920 18.4881 179.1618 28 R 4.1847 7.7230 114.0660 55.1702 31.5844 176.3210 29 V 3.2008 7.6685 117.5706 63.8727 30.1988 173.0729 30 S 4.4341 8.0693 114.4460 59.1701 65.9435 171.6751 *31 F 4.0419 9.3113 128.2913 56.2852 33.7856 172.1021 *39 E 4.1592 8.9725 115.4892 56.7008 32.7163 175.9968 40 R 4.0317 8.2222 119.5572 58.7804 30.2941 179.0979 41 D 4.3613 7.6656 119.0835 57.4765 41.0074 178.7257 42 R 3.7609 7.5284 118.5141 59.2318 29.9293 177.7858 43 H 4.1694 7.9647 118.3732 58.9950 29.7569 177.0392 44 L 4.0158 7.9881 122.3678 58.0502 41.9039 178.9510 45 I 3.9982 7.9463 119.9057 64.6669 37.0312 178.3154 46 E 4.1535 8.2585 119.0094 59.3770 29.2829 178.7561 47 Y 3.8148 8.2540 119.8295 60.6801 38.8043 178.1483 48 L 4.0618 8.5623 120.3487 57.9265 41.8517 179.3331 49 M 4.1418 8.2333 118.1166 58.6477 32.1192 177.9173 50 K 3.5291 7.5735 118.5920 59.5454 32.2553 177.3955 51 H 4.6033 7.4533 112.4545 54.9447 28.9698 175.6574 52 G 3.9477 7.6907 108.5393 46.8704 0.0000 174.8245 53 H 4.7317 8.2708 119.2263 54.5814 27.3833 174.8748 54 E 4.7901 8.3264 122.8014 57.8407 30.8024 178.9231 55 T 4.2134 7.9522 111.2463 63.8265 68.5213 174.3757 56 P 4.2817 0.0000 0.0000 65.3449 31.1543 177.9838 57 F 4.6300 7.7858 115.0063 59.3377 38.9796 177.0895 58 E 4.3312 8.2558 118.5745 58.5397 28.9735 177.5079 59 H 4.7964 7.7167 114.9354 54.8508 29.5937 174.3592 60 I 4.6192 7.2553 123.2020 59.6719 39.4583 174.9872 61 V 4.8355 8.0963 125.1017 61.3187 35.2282 173.8458 62 F 5.0300 9.1184 125.3005 55.8296 42.9580 174.2943 63 T 4.8628 8.4013 117.0763 61.9560 71.5304 173.2363 64 F 5.2088 9.3905 125.5276 56.0154 42.3251 174.1720 65 H 5.0328 9.1373 122.0940 54.4073 32.0925 173.0714 66 V 4.5714 8.2370 125.4122 60.6523 34.8777 173.8210 67 K 4.6929 8.0281 128.4568 54.4654 34.2099 174.5301 68 A 5.5028 8.8577 128.1831 49.5471 23.1494 173.8487 69 P 4.2765 0.0000 0.0000 62.0546 32.2917 178.0079 70 I 3.4896 8.3125 122.5354 64.4667 36.8802 178.8358 71 F 4.1916 8.2913 115.5094 59.9299 37.3836 177.8941 72 V 3.3957 6.4669 117.7776 65.7293 31.4791 177.7045 73 A 3.8291 7.7302 120.4791 55.2003 17.8013 179.8449 74 R 3.8048 7.9017 116.2690 59.2300 30.4633 179.0575 75 Q 4.1450 7.7569 116.5738 58.6552 28.7782 178.2370 76 W 4.3259 8.3596 129.4668 60.7428 30.5692 177.5279 77 F 3.5713 8.6277 114.7842 58.6817 38.3391 177.2018 78 R 4.3590 7.8745 117.6615 57.7524 30.1369 176.3523 79 H 4.6441 8.0711 115.9968 55.1095 27.6514 175.2374 80 R 4.3148 8.5669 124.4362 58.2252 30.6589 178.0999 81 I 4.1382 7.4964 119.7099 58.1097 35.5327 173.5808 82 A 4.3299 7.0036 123.8570 51.7202 22.4424 175.6453 83 S 4.8358 8.2309 114.5777 57.1074 66.3170 173.6069 84 Y 5.4085 8.5922 119.7222 56.4535 41.7556 174.6820 85 N 5.1376 9.4546 119.6075 51.8319 42.6612 173.1723 86 E 5.3695 9.0118 124.3099 53.8459 32.6444 175.2650 87 L 4.0572 8.4933 124.0416 55.6870 42.2796 176.7790 88 C 4.3433 8.9489 123.8192 59.0419 32.2420 173.8497 89 G 3.8912 8.5068 114.5701 45.8088 0.0000 174.7067 90 R 3.9130 7.8244 118.5657 58.1964 30.3186 176.8654 91 Y 4.7466 7.6451 112.5586 58.1735 40.5076 176.3332 92 S 4.4208 7.4941 115.5109 57.6874 63.5602 173.8186 93 K 4.2864 8.5407 125.2795 56.2141 32.4390 176.6044 94 L 4.4435 8.7538 127.0499 54.3335 42.4780 176.9096 95 S 4.5784 8.3990 118.4988 58.2097 63.9040 175.1842 96 Y 3.9676 8.2553 125.7950 57.1331 36.2166 173.3848 97 E 4.6088 7.2221 120.4264 54.3111 34.0717 174.6519 98 F 5.1660 8.7332 122.1626 55.5878 43.3577 174.2353 99 Y 4.9796 8.7444 124.1042 57.1819 38.7394 175.0632 100 I 3.9806 8.6267 129.2012 58.8119 37.8733 174.6228 101 P 4.0006 0.0000 0.0000 62.4787 31.9314 176.6582 102 S 4.4091 8.4315 116.0146 57.3204 64.1290 173.4178 103 P 4.2364 0.0000 0.0000 65.7921 31.0057 178.7625 104 E 4.0106 8.1930 116.7498 59.0083 29.0783 178.9939 105 R 3.5972 7.6558 118.1897 58.3947 30.3339 176.8088 106 L 4.6244 7.5011 117.4064 54.2368 41.8690 175.9293 107 E 4.1586 7.6573 119.3133 57.9475 29.6877 177.5724 108 G 3.8188 8.9382 111.3283 45.2667 0.0000 172.8056 109 Y 4.3518 7.3760 116.9598 56.3793 39.0608 175.6268 110 K 4.3474 8.6158 124.8760 55.3296 31.7800 175.9239 111 T 4.6444 8.0059 113.6642 60.0106 71.0165 175.2228 112 T 4.1227 8.3991 119.2480 65.1524 68.9960 175.2085 113 I 4.5342 7.3062 112.9839 57.7588 40.2403 173.9885 114 P 4.2898 0.0000 0.0000 62.7228 33.0966 175.8296 115 P 4.2532 0.0000 0.0000 65.9563 31.3308 178.9411 116 E 4.0198 8.1010 116.7373 58.9500 29.3025 179.0858 117 R 3.9239 7.7504 118.7373 58.9396 30.2996 178.1568 118 V 3.5165 7.6677 118.1812 66.4501 31.5397 177.8705 119 T 3.7860 7.8324 115.1761 66.7390 68.2711 176.0414 120 E 3.8714 7.9478 120.2729 59.3499 29.8036 178.8583 121 K 3.8789 8.2925 118.8002 59.5313 32.0399 179.3751 122 I 3.6373 7.7847 119.9110 64.5872 36.9742 178.7062 123 S 4.0672 7.9272 115.8128 61.2458 62.5065 176.2333 124 E 3.8921 8.3185 122.1931 59.4369 29.4040 178.8516 125 I 3.6257 7.4719 119.0744 64.4240 37.1237 178.2689 126 V 3.1160 7.5242 118.9217 66.1220 31.0758 177.6344 127 D 4.4674 8.1984 117.6037 57.3352 41.0809 178.3093 128 K 3.9635 8.4661 119.2328 59.2751 31.9645 179.0769 129 A 4.0116 8.5641 121.3295 55.5307 18.3457 179.0420 130 Y 4.2149 8.3568 118.1901 61.0031 38.7989 178.5633 131 R 3.9327 8.4664 119.1573 59.5550 30.1252 179.0635 132 T 3.8437 8.3490 115.9838 66.7333 68.3589 175.8045 133 Y 4.1305 8.3051 121.5927 60.8158 38.6888 178.4116 134 L 3.5272 7.8454 119.6692 57.5461 41.8475 178.8366 135 E 3.8455 8.2575 119.5160 59.4580 29.4855 179.0309 136 L 3.9349 8.0102 118.8057 57.7258 41.6534 179.3751 137 I 3.6793 7.5568 119.8653 64.6579 36.8533 178.4397 138 E 3.9497 8.0839 117.7510 59.1176 29.3165 178.8602 139 S 4.4075 7.5827 112.7993 59.0199 63.0516 174.9861 140 G 3.8631 7.9205 110.3141 45.2417 0.0000 173.4933 141 V 3.8340 7.4489 119.8349 60.9613 32.2512 174.9317 142 P 4.3792 0.0000 0.0000 62.9726 33.0642 177.5150 143 R 3.9281 8.6251 119.5242 59.5671 29.8376 179.1505 144 E 3.9590 8.0153 115.8748 58.8493 29.8462 178.8895 145 V 3.8123 7.6642 118.6631 65.5700 31.5093 177.5879 146 A 4.1190 8.1695 120.8319 55.0575 18.2219 179.3184 147 R 4.1371 8.4275 113.7406 58.0898 29.4125 178.6354 148 I 3.8694 7.5007 113.2747 63.5488 37.7061 177.6980 149 V 3.8968 7.3007 111.4767 61.5557 32.0318 176.2853 150 L 4.3488 7.2209 120.0328 53.4445 42.4091 175.2756 151 P 4.5849 0.0000 0.0000 62.3442 32.3386 177.1202 152 L 4.3128 8.5124 119.1357 57.3732 42.3838 178.1123 153 N 5.0267 8.4769 115.3137 52.9991 38.9345 174.7439 154 L 3.6914 8.0691 123.7470 55.8152 43.0345 175.8625 155 Y 4.5285 8.4273 124.7975 58.3273 38.5744 174.9576 156 T 4.7692 9.3837 117.3925 60.3539 71.7256 172.4158 157 R 5.2998 8.4584 122.3638 54.5021 34.1216 174.7032 158 F 5.6461 8.4819 115.5694 55.7424 42.0696 173.1702 159 F 5.0826 9.6334 119.6463 56.7382 40.8269 174.7248 160 W 5.4451 9.3771 132.7380 56.1062 33.7409 173.7282 161 T 5.0299 8.5493 124.5733 61.6277 70.5582 173.9140 162 V 4.4595 8.0790 125.2762 60.0351 35.2502 174.4780 163 N 5.1526 8.5040 120.0981 51.4777 39.3037 175.8657 164 A 3.8356 8.6400 120.4688 55.1491 18.2928 179.8019 165 R 3.8221 8.0963 116.6694 59.8854 30.1742 178.4999 166 S 4.1745 8.7215 113.0750 61.2712 62.3499 175.8909 167 L 3.8830 8.2720 123.4832 58.4012 41.6613 178.9486 168 M 3.6618 8.1401 119.0508 57.9151 31.7219 178.1443 169 N 4.3720 8.2560 117.3868 56.7938 39.0903 176.4665 170 F 4.1148 8.5915 122.1960 61.6024 39.5003 177.1393 171 L 3.9992 8.3685 118.3535 57.6134 41.2176 179.0037 172 N 4.4564 8.6487 116.3415 56.1271 38.5547 176.5544 173 L 4.3252 7.6348 118.1783 56.0441 42.5359 178.2879 174 R 4.1286 7.8821 117.1335 56.4392 32.0413 176.5458 175 A 4.5757 7.4243 123.2157 49.4938 17.1440 175.6382 176 D 4.8815 7.1558 119.4580 52.5102 44.5185 176.5712 177 S 4.2573 9.0934 120.6850 61.1064 63.2207 175.3558 178 H 4.2848 8.1142 117.3193 57.9454 28.6971 175.7785 179 A 4.2499 7.6384 121.7953 51.2271 19.0058 177.3727 180 Q 4.2032 8.4863 120.5924 55.5086 30.7273 176.5765 181 W 4.3782 9.1536 135.0000 60.9978 30.3974 177.6598 182 E 3.8690 8.7563 117.6345 59.8064 28.9649 179.2979 183 I 3.8523 7.7673 117.6967 63.8164 37.9939 177.4294 184 Q 4.2845 8.0470 120.8693 58.4896 28.4094 179.2267 185 Q 3.6365 7.5537 118.6130 58.9241 28.6677 178.5531 186 Y 3.8756 7.6172 116.2030 60.9406 37.9117 178.1636 187 A 4.0716 8.2569 122.1217 55.2060 18.4304 179.5566 188 L 3.8925 8.1114 117.3467 57.9132 41.6721 179.7089 189 A 3.9513 7.7325 120.7040 55.1623 18.3165 179.5525 190 I 3.4594 7.9022 118.1425 64.5672 37.1851 178.4571 191 A 4.1831 8.2408 121.5243 55.1837 18.2284 179.6966 192 R 3.5971 7.8907 117.1028 59.5025 30.2939 178.8612 193 I 3.7388 7.7982 119.6400 64.2195 37.1581 177.9174 194 F 4.3603 8.5083 121.9721 61.4206 38.9315 176.8882 195 K 3.2788 7.7630 117.6879 59.5359 31.8516 178.0905 196 E 4.0172 7.8887 117.2659 59.1989 29.4269 178.9750 197 K 4.3422 7.8748 116.7336 57.6441 34.1305 177.3329 198 C 4.8958 8.0566 116.4295 56.5534 29.3602 172.6713 199 P 4.3560 0.0000 0.0000 65.5806 31.2903 178.9122 200 W 4.4215 8.1820 118.1940 60.0400 29.0771 178.4631 201 T 3.9817 8.5308 115.7343 66.5976 67.8835 176.5085 202 F 3.8838 8.1044 122.5198 61.1034 39.3622 176.8298 203 E 3.8149 8.5965 118.9007 59.2289 29.4004 178.6574 204 A 4.0195 8.3138 120.9765 54.9520 18.3946 178.9855 205 F 4.2147 8.4456 119.5520 61.8524 39.1595 177.3873 206 L 3.4693 7.3224 116.7277 57.6437 41.4143 179.5284 207 K 3.8046 7.5618 117.3193 58.6786 31.9161 178.0042 208 Y 4.7186 7.8759 114.8238 58.4171 39.8119 176.4673 209 A 4.6536 8.0263 119.7178 52.0320 21.2631 175.7516 210 Y 3.9501 7.4526 117.3043 57.4461 39.0150 175.3613 211 K 3.9902 8.7931 126.7591 56.9247 33.2867 177.0414 212 G 3.6163 6.1232 107.1197 44.5592 0.0000 172.5866 213 D 4.7730 8.0525 114.4485 54.8305 40.7195 178.4945 214 I 3.8949 7.7696 113.6048 63.2353 37.4669 177.6698 215 L 4.1222 8.1165 119.8028 56.6955 41.5525 178.4646 216 K 4.2318 8.0398 117.1939 57.6581 32.2744 178.2084 217 E 4.3102 7.9111 117.9067 58.0465 30.3360 176.0159 218 V 3.9183 7.7754 121.6232 62.9138 31.5946 175.1998 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 M 8.16 4.50 0.00 2.14 2.01 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.56 0.00 2 K 8.58 4.88 0.00 1.71 1.52 0.00 1.58 0.00 0.00 1.48 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.20 1.34 7.81 3 I 9.69 4.58 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 1.22 0.58 0.87 0.00 0.00 4 D 8.77 5.07 0.00 2.57 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.06 4.31 1.00 0.00 0.00 0.61 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 0.62 0.10 0.00 0.00 6 L 8.43 3.75 0.00 1.97 1.87 0.51 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 7 D 9.13 4.69 0.00 2.96 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 8 K 8.24 4.48 0.00 0.98 1.57 0.00 1.75 0.00 0.00 1.80 0.00 0.00 3.03 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.34 1.42 7.81 9 G 8.04 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 10 F 7.83 5.21 0.00 3.13 3.09 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 11 V 8.93 5.10 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 1.21 0.00 0.00 1.21 0.00 0.00 12 E 9.72 5.26 0.00 2.04 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 2.38 2.20 0.00 13 L 8.73 4.33 0.00 1.68 1.60 0.71 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 14 V 8.46 3.90 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 0.75 0.00 0.00 0.46 0.00 0.00 15 D 7.43 4.63 0.00 2.65 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 V 7.92 4.44 1.86 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 0.06 0.00 0.00 0.82 0.00 0.00 17 M 9.27 4.16 0.00 1.94 1.79 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 18 G 10.07 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 0.00 0.00 0.00 19 N 8.18 4.63 0.00 2.79 2.82 0.00 0.00 7.42 8.23 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 20 D 8.70 4.54 0.00 2.46 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 21 L 7.98 4.20 0.00 1.85 1.75 0.96 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 22 S 8.25 4.19 0.00 4.07 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 23 A 7.94 4.14 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 V 7.65 3.53 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 1.12 0.00 0.00 1.13 0.00 0.00 25 R 8.60 3.90 0.00 1.82 1.94 0.00 3.18 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.76 0.00 26 A 7.51 3.84 1.09 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 0.00 0.00 27 A 7.92 4.03 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 R 7.72 4.18 0.00 1.89 1.97 0.00 3.32 0.00 0.00 3.14 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 29 V 7.67 3.20 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 0.66 0.00 0.00 0.93 0.00 0.00 30 S 8.07 4.43 0.00 3.79 3.68 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 0.00 0.00 0.00 1.20 0.00 0.00 113 I 7.31 4.53 1.85 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 1.39 0.62 0.89 0.00 0.00 114 P 0.00 4.29 0.00 2.16 2.03 0.00 3.60 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 2.11 2.19 0.00 115 P 0.00 4.25 0.00 2.13 2.18 0.00 3.58 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 2.10 2.18 0.00 116 E 8.10 4.02 0.00 2.04 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 2.39 2.41 0.00 117 R 7.75 3.92 0.00 1.90 2.12 0.00 3.35 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 118 V 7.67 3.52 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.92 0.00 0.00 119 T 7.83 3.79 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 1.17 0.00 0.00 120 E 7.95 3.87 0.00 2.10 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 0.00 2.29 2.34 0.00 121 K 8.29 3.88 0.00 1.92 1.81 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.59 7.81 122 I 7.78 3.64 1.95 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.62 0.81 0.00 0.00 123 S 7.93 4.07 0.00 3.88 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 0.00 124 E 8.32 3.89 0.00 2.11 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 0.00 2.30 2.35 0.00 125 I 7.47 3.63 1.94 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.75 0.86 0.00 0.00 126 V 7.52 3.12 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 0.18 0.00 0.00 0.59 0.00 0.00 127 D 8.20 4.47 0.00 3.03 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 K 8.47 3.96 0.00 1.81 1.85 0.00 1.77 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.65 7.81 129 A 8.56 4.01 1.44 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 0.00 0.00 0.00 130 Y 8.36 4.21 0.00 3.39 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 0.00 131 R 8.47 3.93 0.00 2.14 1.98 0.00 3.19 0.00 0.00 3.50 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.78 0.00 132 T 8.35 3.84 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 1.23 0.00 0.00 133 Y 8.31 4.13 0.00 2.97 2.99 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 0.00 134 L 7.85 3.53 0.00 1.74 1.55 0.95 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.26 3.85 0.00 2.13 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 0.00 2.28 2.34 0.00 136 L 8.01 3.93 0.00 1.79 1.64 0.94 0.95 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 0.00 137 I 7.56 3.68 1.69 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.04 0.76 0.00 0.00 138 E 8.08 3.95 0.00 2.06 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 2.30 2.28 0.00 139 S 7.58 4.41 0.00 4.00 3.88 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 0.00 140 G 7.92 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 0.00 141 V 7.45 3.83 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.90 0.00 0.00 142 P 0.00 4.38 0.00 2.27 2.16 0.00 3.75 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 2.06 2.05 0.00 143 R 8.63 3.93 0.00 2.02 2.10 0.00 3.13 0.00 0.00 3.39 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 144 E 8.02 3.96 0.00 1.99 1.88 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 2.21 2.31 0.00 145 V 7.66 3.81 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.92 0.00 0.00 146 A 8.17 4.12 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 R 8.43 4.14 0.00 2.04 2.30 0.00 2.84 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 2.05 0.00 148 I 7.50 3.87 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 1.75 0.61 0.95 0.00 0.00 149 V 7.30 3.90 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 0.80 0.00 0.00 1.11 0.00 0.00 150 L 7.22 4.35 0.00 1.77 1.71 0.27 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 151 P 0.00 4.58 0.00 2.49 2.20 0.00 4.03 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 1.91 0.00 152 L 8.51 4.31 0.00 1.66 1.92 0.91 0.57 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 0.00 153 N 8.48 5.03 0.00 3.16 3.30 0.00 0.00 5.90 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 0.00 154 L 8.07 3.69 0.00 1.84 1.53 0.30 0.87 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 0.00 155 Y 8.43 4.53 0.00 2.88 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 0.00 156 T 9.38 4.77 4.15 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 0.00 0.00 0.00 1.21 0.00 0.00 157 R 8.46 5.30 0.00 1.86 1.90 0.00 3.39 0.00 0.00 3.46 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.54 0.00 158 F 8.48 5.65 0.00 3.39 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 0.00 159 F 9.63 5.08 0.00 3.03 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 0.00 160 W 9.38 5.45 0.00 3.36 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.55 5.03 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 1.14 0.00 0.00 162 V 8.08 4.46 0.67 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 -0.33 0.00 0.00 0.58 0.00 0.00 163 N 8.50 5.15 0.00 3.18 2.94 0.00 0.00 6.06 7.38 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 0.00 164 A 8.64 3.84 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 R 8.10 3.82 0.00 2.03 2.15 0.00 3.47 0.00 0.00 3.37 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.81 0.00 166 S 8.72 4.17 0.00 3.94 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 0.00 167 L 8.27 3.88 0.00 1.47 1.40 0.78 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 168 M 8.14 3.66 0.00 1.59 1.99 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 1.22 0.00 169 N 8.26 4.37 0.00 2.95 3.15 0.00 0.00 6.79 7.47 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 0.00 170 F 8.59 4.11 0.00 3.16 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 0.00 171 L 8.37 4.00 0.00 2.15 2.00 1.16 0.70 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 0.00 172 N 8.65 4.46 0.00 3.02 2.95 0.00 0.00 6.99 8.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 L 7.63 4.33 0.00 1.56 1.67 0.98 1.21 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 0.00 174 R 7.88 4.13 0.00 0.71 1.25 0.00 2.95 0.00 0.00 2.91 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.50 0.00 175 A 7.42 4.58 1.47 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 0.00 0.00 0.00 0.00 0.00 0.00 176 D 7.16 4.88 0.00 2.68 2.43 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 0.00 177 S 9.09 4.26 0.00 4.00 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 0.00 178 H 8.11 4.28 0.00 3.31 3.42 0.00 5.85 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 0.00 179 A 7.64 4.25 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 0.00 180 Q 8.49 4.20 0.00 2.24 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.71 0.00 0.00 0.00 0.00 0.00 2.85 2.60 0.00 181 W 9.15 4.38 0.00 3.51 3.37 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 0.00 182 E 8.76 3.87 0.00 2.36 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 2.46 2.69 0.00 183 I 7.77 3.85 1.92 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.37 0.85 0.00 0.00 184 Q 8.05 4.28 0.00 2.02 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.58 0.00 0.00 0.00 0.00 0.00 2.60 2.37 0.00 185 Q 7.55 3.64 0.00 1.68 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.82 0.00 0.00 0.00 0.00 0.00 1.16 1.28 0.00 186 Y 7.62 3.88 0.00 3.13 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 0.00 187 A 8.26 4.07 1.08 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 0.00 0.00 188 L 8.11 3.89 0.00 1.79 1.68 0.84 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 189 A 7.73 3.95 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 0.00 190 I 7.90 3.46 2.11 0.00 0.00 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 1.74 0.83 0.77 0.00 0.00 191 A 8.24 4.18 1.53 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 0.00 0.00 192 R 7.89 3.60 0.00 1.90 2.05 0.00 3.01 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 193 I 7.80 3.74 2.22 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 1.51 1.14 1.11 0.00 0.00 194 F 8.51 4.36 0.00 2.82 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.76 3.28 0.00 0.79 1.43 0.00 1.44 0.00 0.00 1.47 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.21 1.21 7.81 196 E 7.89 4.02 0.00 2.15 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 2.45 2.47 0.00 197 K 7.87 4.34 0.00 2.13 1.96 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.68 1.82 7.81 198 C 8.06 4.90 0.00 2.87 3.04 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 0.00 199 P 0.00 4.36 0.00 2.32 2.28 0.00 3.59 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.90 0.00 200 W 8.18 4.42 0.00 3.55 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 0.00 201 T 8.53 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 1.11 0.00 0.00 202 F 8.10 3.88 0.00 2.51 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 0.00 203 E 8.60 3.81 0.00 2.33 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 0.00 2.28 2.35 0.00 204 A 8.31 4.02 1.54 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 0.00 0.00 205 F 8.45 4.21 0.00 3.04 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 0.00 206 L 7.32 3.47 0.00 1.44 1.41 0.68 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 207 K 7.56 3.80 0.00 1.03 0.76 0.00 1.41 0.00 0.00 1.41 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.20 1.41 7.81 208 Y 7.88 4.72 0.00 3.06 2.90 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 0.00 209 A 8.03 4.65 1.44 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 0.00 0.00 0.00 210 Y 7.45 3.95 0.00 1.43 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 0.00 211 K 8.79 3.99 0.00 1.57 1.68 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.40 7.81 212 G 6.12 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.05 4.77 0.00 2.99 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 0.00 214 I 7.77 3.89 1.91 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.68 1.00 0.00 0.00 215 L 8.12 4.12 0.00 1.08 1.55 0.66 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 216 K 8.04 4.23 0.00 1.93 1.88 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.70 7.81 217 E 7.91 4.31 0.00 2.38 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 2.26 1.92 0.00 218 V 7.78 3.92 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 0.74 0.00 0.00 1.02 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.