NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.2098 8.2027 119.6298 55.8823 30.9413 173.6051 3 R 4.6673 7.5063 122.2741 54.6696 33.0980 172.2782 4 Y 4.8549 9.4424 124.8184 56.1363 42.6387 174.0650 5 F 5.0890 9.0911 122.3060 56.8566 39.8993 175.0955 6 I 4.7149 8.3397 116.7224 59.2635 39.6597 175.7497 7 E 4.2943 8.9224 122.3499 58.4246 29.9984 177.7057 8 L 4.0923 7.8684 118.7355 55.1566 42.2783 177.3275 9 T 4.5336 8.2919 118.9090 61.4908 69.2821 174.0240 10 K 4.1203 8.1178 122.6329 54.3936 31.9023 172.3621 *40 Q 4.3076 8.4049 121.9332 54.9880 29.9017 174.3869 41 I 4.8490 8.0151 113.8381 59.2409 41.4671 173.3413 42 I 4.9879 8.3798 121.3230 60.1885 40.4558 174.8160 43 C 5.3533 9.3062 124.0948 58.0795 32.4429 172.8965 44 C 5.1609 8.5407 120.6384 57.5012 34.2059 173.7268 45 S 4.9043 9.1928 121.8476 58.4321 63.4231 175.4682 46 Q 4.1090 8.5753 121.5444 58.7746 28.8384 176.4770 47 D 4.6351 8.2843 115.0383 53.0901 39.8114 176.5712 48 G 3.7275 8.2489 107.5805 46.8337 0.0000 173.1019 49 F 4.8915 8.5096 119.5242 55.4768 40.6501 175.0074 50 E 4.9114 9.1038 125.3487 55.9968 31.1552 175.0492 51 A 4.6491 9.5104 127.4339 50.0867 23.3872 174.6476 52 K 4.6029 8.8665 122.8080 55.6493 33.6497 174.5669 53 C 6.0341 8.0616 127.2727 57.9620 32.0604 172.9360 *65 C 4.4572 8.6209 118.2509 60.4590 29.2073 172.6254 66 L 4.5199 7.9916 123.2583 53.0231 43.7988 175.7696 67 V 3.7804 8.2810 126.2991 62.3397 30.7919 175.0041 68 I 4.1861 8.0902 122.7664 63.0644 38.7409 176.1552 69 E 4.6688 7.4748 117.3925 54.9733 32.4919 174.6337 70 W 5.0741 8.7598 122.7725 55.6564 29.4746 176.2205 71 T 3.9515 8.3666 117.1355 63.2614 68.4377 175.6099 72 N 4.6144 8.7766 115.8492 53.0355 36.4034 173.8164 73 E 4.2284 7.8938 118.5240 55.8221 30.1292 175.7120 74 N 5.1167 8.6674 121.3275 52.1499 41.4406 173.7741 75 R 4.6319 9.9655 124.6748 55.9494 30.8463 176.0620 76 E 4.2678 8.4013 117.8233 55.8122 29.9308 176.9861 77 L 4.6660 8.0748 120.3844 53.5998 42.5490 176.5872 78 P 4.2278 0.0000 0.0000 64.7082 32.2344 176.0118 79 I 4.8155 7.1891 111.3293 58.6425 40.8132 175.8701 80 K 4.2227 9.0916 124.0484 55.9667 33.1282 176.0955 81 V 4.7542 8.3070 126.1707 61.4472 33.7811 173.7293 82 Y 4.7913 9.3739 126.8706 56.6764 39.8291 174.9205 83 I 4.6424 8.8353 126.3719 60.1437 38.8169 174.9088 84 A 5.8205 9.2373 131.0882 49.7297 20.8068 175.2769 85 S 5.3489 8.7164 116.8769 56.7219 66.1326 173.9614 86 G 3.1088 9.0839 111.8431 45.6031 0.0000 173.0385 87 L 3.9742 8.1354 125.4723 54.9818 42.2370 175.8847 88 P 4.7433 0.0000 0.0000 60.4668 33.5509 174.7844 89 K 4.2884 9.0331 118.9072 55.4787 34.3138 179.4729 90 G 3.7375 7.8353 110.2047 47.5694 0.0000 173.8689 91 D 4.8316 8.0415 121.6353 53.4589 41.5634 178.0667 92 K 2.4800 7.2407 122.1653 59.1161 31.8534 178.7094 93 L 3.6164 7.4195 119.8451 57.6796 41.8888 178.7502 94 E 3.8320 7.7364 118.3761 59.0367 29.3992 179.1030 95 W 4.3218 7.9730 118.3621 60.0948 29.2298 178.3184 96 I 3.6425 7.7870 119.5417 64.4555 36.4770 178.6154 97 I 2.2825 7.3533 120.3597 63.9718 36.9421 178.0773 98 Q 3.9011 7.8677 120.3093 59.2948 28.8310 178.4166 99 K 4.2823 8.4260 119.6027 59.4864 32.1817 179.7530 100 G 3.8207 8.3453 105.8822 47.8664 0.0000 175.9872 101 T 4.2720 8.2346 118.5064 66.3002 68.3271 176.4991 102 E 4.3157 8.0649 119.3399 57.5466 29.8298 177.9810 103 L 4.6242 7.4203 118.7567 54.3359 42.1246 176.9743 104 G 3.9504 7.9946 106.7204 44.7047 0.0000 174.1765 105 A 3.8622 8.1119 123.2141 52.8051 18.6576 177.6621 106 H 4.3301 8.5278 122.6194 58.6153 30.6764 175.1027 107 A 4.2096 6.4836 116.3836 51.0538 22.0803 174.9719 108 F 5.2254 8.5735 118.4597 55.9192 42.5273 174.9527 109 I 4.9224 9.6495 125.2735 58.3539 38.7394 171.9713 110 P 5.0226 0.0000 0.0000 62.6437 32.6858 175.5708 111 F 5.6076 8.6509 116.9853 55.3398 42.2283 173.4465 112 Q 4.5509 9.2858 119.4445 55.2675 29.0514 176.2664 113 A 4.5320 8.3183 127.0699 50.4440 20.6305 177.6853 114 A 3.8903 9.4066 123.1687 55.4509 18.3456 179.2421 115 R 4.3735 7.7173 111.5367 56.2247 30.2360 176.4466 116 S 4.2116 7.8376 115.8854 58.4507 63.7492 175.6109 117 V 4.2061 8.0323 127.7388 61.3943 30.6797 173.8727 118 V 4.1087 6.7912 120.3821 62.2093 34.3003 173.1642 *129 R 3.9462 8.8555 114.0918 56.9912 31.4510 178.2155 130 E 3.9713 7.7782 117.9630 60.4705 29.6879 180.6254 131 R 4.1127 7.6777 119.2947 59.0106 30.2438 178.3987 132 W 4.4715 7.9986 118.3355 60.3086 29.1147 178.4449 133 T 3.9785 8.1566 115.6421 66.4549 67.8543 176.7350 134 K 3.9991 7.9807 121.2311 59.5611 32.2803 178.9590 135 I 3.7328 8.3356 120.3748 64.3018 36.9291 178.0090 136 A 3.9706 8.1689 121.5816 55.0628 18.2587 179.2388 137 K 3.5933 8.1600 117.4642 59.8656 32.2415 178.6204 138 E 4.4441 8.5341 120.3781 58.7074 29.4464 178.6072 139 A 3.9901 8.2145 120.7547 54.8861 18.2766 179.4599 140 A 3.9882 8.7565 119.7137 55.6903 18.3747 179.0910 141 E 4.0099 8.8310 117.2427 60.4572 29.3848 179.8676 142 Q 3.7458 8.0777 118.0365 58.2028 28.9951 178.2337 143 S 4.4728 7.7664 113.1362 57.5409 63.4431 173.9152 144 Y 3.4695 7.2401 119.0491 59.3851 35.3121 170.0547 145 R 4.3243 7.7034 117.9144 56.6086 30.7305 176.6352 146 N 4.9905 9.0963 115.2142 53.2753 39.7557 174.7031 147 E 4.5843 7.9240 118.1301 54.0986 32.7606 174.4849 148 V 3.8618 7.9567 125.3777 60.3500 31.9844 173.6827 149 P 4.4136 0.0000 0.0000 62.9746 32.1487 175.5304 150 R 4.5829 8.3789 122.1756 55.1598 32.0787 175.5388 151 V 5.1263 8.2693 125.1706 60.9050 33.8175 174.3977 *153 D 4.5855 8.3434 121.9715 53.7344 41.7819 176.1292 154 V 4.1857 8.5186 115.6593 62.3522 32.0465 175.7661 155 H 5.1791 9.4465 123.0597 54.8212 31.3314 174.9110 156 S 4.9722 9.4654 116.0270 57.3369 65.1231 175.0551 157 F 4.1392 9.2154 121.1332 61.5764 38.9212 176.3944 158 Q 3.8457 8.2415 118.4059 59.5218 28.5998 178.2762 159 Q 3.9601 7.5778 117.1831 58.8053 29.0276 178.3064 160 L 3.9435 7.8589 121.1879 58.2645 41.7830 179.0700 161 L 3.7254 7.2529 117.1804 57.9397 41.6164 179.4635 162 Q 4.0575 7.9229 116.5150 57.7951 29.8330 177.5399 163 R 4.1932 7.7445 122.8312 55.3803 26.1392 176.8245 *165 Q 4.2397 7.6707 119.0227 56.3369 31.2343 177.6431 166 D 4.2520 7.5856 117.9317 56.9931 40.9022 177.3678 167 F 4.3014 6.9055 113.3496 57.0230 39.6472 175.4142 168 D 4.6057 8.6995 123.1758 57.1459 41.5890 176.8738 169 K 4.6535 8.2538 118.5723 55.1687 36.3577 174.5975 170 C 5.3017 8.7813 123.8238 57.9510 31.3418 172.7063 171 V 4.7348 8.7647 124.2105 61.0345 34.0010 174.2552 172 V 4.4318 9.1404 128.5621 61.0631 33.3389 174.6273 173 A 4.5945 8.6485 131.5302 52.2946 17.9018 175.6535 174 Y 4.5887 7.9715 120.8927 58.5241 42.7630 173.6134 175 E 4.5636 8.2143 122.6714 55.0924 32.5445 174.4164 176 E 4.3065 8.8603 123.8618 56.3441 32.8914 177.8699 177 S 3.8046 8.6129 107.3377 60.8569 61.0915 175.5155 *184 S 4.1334 9.1095 108.1346 58.1163 63.6639 172.5364 185 A 4.3746 8.5616 127.7909 52.5889 18.1498 178.4219 186 F 4.1948 8.0398 121.5503 61.8132 39.5428 177.4617 187 S 4.0871 8.3240 113.1647 61.2409 62.6065 175.9117 188 A 3.9723 7.9692 123.0107 55.0041 18.4272 179.1740 189 I 3.7341 7.7790 118.1131 64.7402 37.0945 179.0119 190 V 3.4750 7.4459 118.8937 65.8572 31.0413 177.9909 191 S 4.0702 8.0367 112.2101 60.5331 62.3029 175.2354 192 S 4.6038 7.4092 114.9765 57.2992 63.4015 174.0939 193 L 4.2190 7.0586 123.3456 53.5095 42.2138 175.3052 194 P 4.4403 0.0000 0.0000 61.6590 32.1256 175.9093 195 K 4.0690 8.4745 120.3238 58.7503 32.2754 177.4572 196 G 3.9372 8.9953 112.0748 44.9962 0.0000 173.5993 197 S 4.6547 7.8868 114.9763 58.1875 65.0689 173.0178 198 S 5.4209 9.7080 116.4846 56.8965 65.4292 173.5041 199 L 4.9653 9.6424 125.7304 53.4185 45.1195 174.5239 200 L 4.8000 8.5623 128.9530 53.5238 44.1337 174.9571 201 I 4.8130 8.4347 126.5421 59.4950 40.3084 174.4379 202 V 4.7408 8.6547 127.6217 61.4122 33.4683 174.5025 203 F 5.1752 9.5309 126.3389 55.5856 42.5198 175.2981 204 G 4.1667 8.9535 110.8104 45.2245 0.0000 171.4809 205 P 4.7448 0.0000 0.0000 60.7416 33.6657 174.7591 206 E 4.0627 8.5605 116.9532 58.7803 29.7356 176.8012 207 G 3.8335 9.0033 111.1517 44.2741 0.0000 174.2767 208 G 3.9911 8.0434 104.4341 44.3589 0.0000 172.7534 209 L 4.1714 8.0913 118.1202 54.8012 42.4000 177.2625 210 T 4.4827 8.4058 114.6321 60.4636 70.0897 175.2376 211 E 3.8422 8.7879 126.6231 59.8041 29.4312 179.5868 212 A 3.9784 7.9775 119.7478 55.3531 18.4082 179.3463 213 E 3.7722 7.8352 116.3452 59.4600 29.4775 179.5111 214 V 3.4231 7.9408 118.6294 65.8865 31.5164 177.4273 215 E 3.9021 8.1646 118.9225 59.7121 29.2086 179.2204 216 R 4.2127 7.8755 117.8006 59.0318 30.1148 178.9829 217 L 4.1017 8.1332 119.0577 57.7832 41.6108 179.4591 218 T 4.2745 8.1321 117.4459 65.8366 68.1522 176.7522 219 E 4.0646 8.1613 119.9688 58.8993 29.4281 178.2328 220 Q 4.3879 7.2589 114.6468 55.6144 29.0355 176.1879 221 D 4.7431 7.9255 118.6363 54.0872 39.0932 174.9330 222 G 3.8397 7.9551 107.3270 46.1187 0.0000 173.0327 223 V 4.7358 8.5896 122.3423 60.7531 34.1979 174.8180 224 T 4.7918 8.5718 118.3736 61.9276 69.9564 173.7782 225 C 4.8125 9.2627 122.6973 58.1055 32.7828 174.1841 226 G 4.0531 8.7923 110.5178 45.2082 0.0000 172.9288 227 L 4.5234 7.9903 117.7694 53.6943 42.3408 177.4478 228 G 3.9235 8.0392 102.9521 44.6626 0.0000 171.7333 229 P 4.4086 0.0000 0.0000 63.4271 31.9279 176.4598 230 R 4.3516 7.4549 118.5200 54.7878 31.3163 176.0133 231 I 3.8261 8.1284 123.1416 61.1111 37.3483 175.6316 232 L 4.3487 8.1807 126.0165 53.5565 42.9008 177.1619 233 R 4.2336 8.2456 121.7077 55.7992 30.6057 177.5579 234 T 3.8739 8.4447 113.3442 64.6236 67.3697 175.0733 235 E 4.3692 7.9922 116.7564 57.0330 30.8403 177.4152 236 T 4.1923 7.7127 116.6104 65.7301 68.7192 176.6097 237 A 3.9877 7.8361 122.3879 54.9522 18.5156 177.7518 238 P 3.8235 0.0000 0.0000 65.5204 31.3217 178.8752 239 L 4.0890 7.9783 117.9589 57.5592 41.4701 178.8947 240 Y 3.8826 8.0325 118.9720 60.5368 38.8320 177.4509 241 A 4.2247 8.2691 121.7067 55.5189 18.5888 179.5240 242 L 4.0440 8.0987 117.3171 58.1381 41.6980 180.1320 243 S 4.0943 8.1269 114.6471 61.4956 62.8201 176.4712 244 A 4.0010 8.2988 123.8572 55.2613 18.1387 179.6839 245 I 3.6867 8.2446 118.5924 64.6977 37.2400 178.6157 246 S 4.1263 8.1356 113.9219 61.3433 62.1654 175.4359 247 Y 4.0497 8.1278 122.2483 60.8011 38.0960 177.6713 248 Q 3.8229 8.2324 120.4665 59.4565 29.0657 178.1212 249 T 3.9508 7.8231 107.9281 62.7711 69.4473 174.8956 250 E 4.4762 8.2752 119.9851 57.2949 32.2839 177.6295 251 L 4.2063 7.6949 116.3892 55.9657 42.6744 177.6332 252 L 4.0618 7.4714 117.6116 55.9385 42.1744 176.9809 253 R 4.1703 7.2241 121.2137 56.1500 30.1732 175.8307 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 Q 8.20 4.21 0.00 1.99 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 3 R 7.51 4.67 0.00 1.68 1.42 0.00 3.17 0.00 0.00 3.08 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.80 0.00 4 Y 9.44 4.85 0.00 2.97 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 5 F 9.09 5.09 0.00 3.02 3.06 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 0.00 0.00 0.00 6 I 8.34 4.71 1.96 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.77 0.97 0.00 0.00 7 E 8.92 4.29 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.32 0.00 8 L 7.87 4.09 0.00 1.76 1.67 0.97 0.71 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 9 T 8.29 4.53 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 1.26 0.00 0.00 10 K 8.12 4.12 0.00 1.87 1.60 0.00 1.89 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.39 1.25 7.81 *40 Q 8.40 4.31 0.00 2.24 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.68 0.00 0.00 0.00 0.00 0.00 2.22 2.35 0.00 41 I 8.02 4.85 2.06 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.83 1.13 0.00 0.00 42 I 8.38 4.99 1.89 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 1.35 0.98 0.93 0.00 0.00 43 C 9.31 5.35 0.00 2.74 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 44 C 8.54 5.16 0.00 2.67 2.39 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 45 S 9.19 4.90 0.00 4.34 4.34 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 46 Q 8.58 4.11 0.00 2.14 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 7.04 0.00 0.00 0.00 0.00 0.00 2.43 2.36 0.00 47 D 8.28 4.64 0.00 2.91 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 48 G 8.25 3.73 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 0.00 0.00 0.00 49 F 8.51 4.89 0.00 3.13 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.10 4.91 0.00 2.13 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 2.42 2.34 0.00 51 A 9.51 4.65 0.16 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 0.00 0.00 52 K 8.87 4.60 0.00 1.71 1.59 0.00 1.53 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.35 7.81 53 C 8.06 6.03 0.00 2.82 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *65 C 8.62 4.46 0.00 2.97 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 66 L 7.99 4.52 0.00 1.61 1.44 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 67 V 8.28 3.78 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 0.06 0.00 0.00 0.83 0.00 0.00 68 I 8.09 4.19 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 1.40 0.67 0.90 0.00 0.00 69 E 7.47 4.67 0.00 2.01 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 2.16 2.24 0.00 70 W 8.76 5.07 0.00 3.21 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 71 T 8.37 3.95 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 72 N 8.78 4.61 0.00 2.99 3.13 0.00 0.00 6.94 7.66 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 73 E 7.89 4.23 0.00 2.17 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 2.36 2.41 0.00 74 N 8.67 5.12 0.00 2.63 2.66 0.00 0.00 6.99 7.65 0.00 0.00 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 R 9.97 4.63 0.00 1.91 1.93 0.00 3.49 0.00 0.00 3.30 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 76 E 8.40 4.27 0.00 2.07 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 2.44 2.43 0.00 77 L 8.07 4.67 0.00 1.71 1.58 1.00 1.38 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 78 P 0.00 4.23 0.00 2.06 2.09 0.00 3.53 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.08 0.00 79 I 7.19 4.82 1.89 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 1.22 0.68 0.91 0.00 0.00 80 K 9.09 4.22 0.00 1.97 1.91 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.15 1.32 7.81 81 V 8.31 4.75 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 1.09 0.00 0.00 0.97 0.00 0.00 82 Y 9.37 4.79 0.00 2.64 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 I 8.84 4.64 1.92 0.00 0.00 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 1.12 1.23 1.11 0.00 0.00 84 A 9.24 5.82 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 85 S 8.72 5.35 0.00 3.81 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 86 G 9.08 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 0.00 0.00 0.00 87 L 8.14 3.97 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.84 6.64 0.00 0.00 0.00 0.00 0.00 2.41 2.32 0.00 166 D 7.59 4.25 0.00 1.85 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 0.00 0.00 0.00 167 F 6.91 4.30 0.00 3.00 2.95 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 0.00 0.00 0.00 168 D 8.70 4.61 0.00 2.78 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 0.00 169 K 8.25 4.65 0.00 1.79 1.59 0.00 1.46 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.33 1.47 7.81 170 C 8.78 5.30 0.00 2.85 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 0.00 171 V 8.76 4.73 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 1.02 0.00 0.00 172 V 9.14 4.43 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 0.92 0.00 0.00 0.89 0.00 0.00 173 A 8.65 4.59 1.04 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 0.00 174 Y 7.97 4.59 0.00 2.84 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 0.00 175 E 8.21 4.56 0.00 1.73 1.66 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 2.11 1.87 0.00 176 E 8.86 4.31 0.00 1.94 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 2.51 2.41 0.00 177 S 8.61 3.80 0.00 3.82 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 *184 S 9.11 4.13 0.00 3.92 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 0.00 185 A 8.56 4.37 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 F 8.04 4.19 0.00 3.06 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 0.00 187 S 8.32 4.09 0.00 4.13 4.22 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 0.00 188 A 7.97 3.97 1.33 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 0.00 189 I 7.78 3.73 1.90 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 1.40 1.23 0.85 0.00 0.00 190 V 7.45 3.47 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.20 0.00 0.00 191 S 8.04 4.07 0.00 4.18 3.85 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 0.00 192 S 7.41 4.60 0.00 3.92 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 0.00 193 L 7.06 4.22 0.00 1.58 1.60 0.90 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 194 P 0.00 4.44 0.00 2.17 1.95 0.00 3.62 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.09 0.00 195 K 8.47 4.07 0.00 1.99 1.78 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.46 1.05 7.81 196 G 9.00 3.94 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 0.00 0.00 0.00 197 S 7.89 4.65 0.00 4.19 4.02 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 0.00 198 S 9.71 5.42 0.00 3.94 4.02 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 0.00 199 L 9.64 4.97 0.00 1.71 1.53 0.98 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 200 L 8.56 4.80 0.00 0.35 0.99 0.52 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 201 I 8.43 4.81 2.00 0.00 0.00 1.17 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 0.65 0.44 0.00 0.00 202 V 8.65 4.74 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 1.17 0.00 0.00 0.78 0.00 0.00 203 F 9.53 5.18 0.00 3.03 2.91 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 0.00 204 G 8.95 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.74 0.00 2.15 2.19 0.00 4.02 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.86 0.00 206 E 8.56 4.06 0.00 2.05 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 2.36 2.34 0.00 207 G 9.00 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 0.00 0.00 0.00 208 G 8.04 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 0.00 0.00 0.00 209 L 8.09 4.17 0.00 1.51 1.45 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 210 T 8.41 4.48 4.35 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 1.14 0.00 0.00 211 E 8.79 3.84 0.00 2.10 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 2.50 2.63 0.00 212 A 7.98 3.98 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 213 E 7.84 3.77 0.00 2.10 1.81 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 1.47 1.91 0.00 214 V 7.94 3.42 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 0.95 0.00 0.00 -0.11 0.00 0.00 215 E 8.16 3.90 0.00 2.18 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 2.49 2.37 0.00 216 R 7.88 4.21 0.00 2.05 2.09 0.00 3.30 0.00 0.00 3.25 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.73 0.00 217 L 8.13 4.10 0.00 1.84 1.67 1.06 0.38 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 0.00 218 T 8.13 4.27 4.42 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 1.22 0.00 0.00 219 E 8.16 4.06 0.00 2.13 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 2.35 2.44 0.00 220 Q 7.26 4.39 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 5.80 0.00 0.00 0.00 0.00 0.00 2.44 2.43 0.00 221 D 7.93 4.74 0.00 2.85 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 0.00 222 G 7.96 3.84 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 0.00 0.00 0.00 223 V 8.59 4.74 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 1.03 0.00 0.00 1.00 0.00 0.00 224 T 8.57 4.79 4.60 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 1.31 0.00 0.00 225 C 9.26 4.81 0.00 2.90 2.91 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 0.00 226 G 8.79 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 227 L 7.99 4.52 0.00 1.31 1.02 0.21 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 228 G 8.04 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 0.00 229 P 0.00 4.41 0.00 2.16 2.15 0.00 3.72 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.97 0.00 230 R 7.45 4.35 0.00 1.76 1.85 0.00 3.20 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 231 I 8.13 3.83 1.84 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.29 0.89 0.00 0.00 232 L 8.18 4.35 0.00 1.54 1.55 0.84 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 233 R 8.25 4.23 0.00 1.90 2.00 0.00 3.31 0.00 0.00 3.30 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.63 0.00 234 T 8.44 3.87 4.21 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 0.00 0.00 0.00 1.13 0.00 0.00 235 E 7.99 4.37 0.00 2.20 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 2.39 2.78 0.00 236 T 7.71 4.19 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 237 A 7.84 3.99 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 0.00 238 P 0.00 3.82 0.00 1.94 1.63 0.00 3.44 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.88 0.00 239 L 7.98 4.09 0.00 1.74 1.74 0.94 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 240 Y 8.03 3.88 0.00 3.11 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 241 A 8.27 4.22 1.68 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 0.00 0.00 0.00 0.00 0.00 0.00 242 L 8.10 4.04 0.00 1.78 1.96 1.02 0.96 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 0.00 243 S 8.13 4.09 0.00 3.97 3.82 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 0.00 244 A 8.30 4.00 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 0.00 245 I 8.24 3.69 2.08 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 1.36 1.10 0.93 0.00 0.00 246 S 8.14 4.13 0.00 3.95 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 0.00 247 Y 8.13 4.05 0.00 3.20 3.14 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 0.00 248 Q 8.23 3.82 0.00 2.27 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 249 T 7.82 3.95 4.22 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 1.21 0.00 0.00 250 E 8.28 4.48 0.00 2.27 1.94 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 2.20 2.22 0.00 251 L 7.69 4.21 0.00 1.41 1.58 1.13 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 252 L 7.47 4.06 0.00 1.60 1.56 0.85 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 253 R 7.22 4.17 0.00 1.60 1.77 0.00 3.16 0.00 0.00 3.37 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.48 0.00 * Residues marked with a * may have inaccurate shift predictions.