NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 Q 4.2451 8.1876 121.7033 56.3060 31.3998 176.3164 6 S 4.0508 7.6458 113.5297 59.4492 63.3589 174.5573 7 R 3.8893 8.6526 124.0245 58.9677 30.4448 179.0420 8 E 3.8447 7.9370 118.3425 59.3127 29.5929 178.8020 9 R 3.5513 7.8637 118.2988 59.6506 29.9108 177.8989 10 L 3.8722 7.2565 119.1876 57.9406 41.9415 179.0908 11 V 3.5617 7.7382 118.2978 65.6959 31.4043 177.7479 12 K 4.1742 7.8847 120.6432 59.0099 32.0985 178.7219 13 W 4.6660 8.0119 120.2318 59.2536 28.8904 178.5325 14 L 4.1189 8.1860 119.0478 57.9329 41.0879 179.5322 15 Q 4.0842 8.5180 118.2942 59.2064 28.5744 178.6409 16 D 4.4956 8.5226 119.9106 57.1735 40.5430 178.8349 17 A 3.9297 7.8488 120.7364 55.2187 18.7558 178.6846 18 Y 4.1759 8.3376 117.9551 60.6081 38.6681 178.4838 19 A 3.8499 8.0570 117.9569 53.1418 18.3626 178.7885 *21 E 4.2562 8.0724 121.0637 57.8100 31.4271 178.7273 22 K 3.9433 7.6676 117.8440 58.7575 31.6667 179.0117 23 E 4.1485 7.8138 117.0450 58.6294 29.9760 178.3752 24 A 3.7673 7.8542 120.6574 54.7167 18.6122 178.6283 25 E 3.9885 7.9404 116.7021 59.2716 31.4570 178.6077 26 T 4.0324 7.1773 114.8259 64.0985 64.4448 173.9116 *29 A 4.1274 7.7269 127.0214 51.9413 21.4633 178.9878 30 A 3.5882 7.9421 115.1695 53.3142 19.1263 179.1919 *32 A 4.3355 8.0592 123.7488 53.4547 20.3552 180.0378 33 S 4.2130 8.0031 109.2448 60.4874 63.1068 175.1535 34 R 4.4212 7.2745 117.5023 55.7927 30.6273 175.9770 35 I 4.0739 7.4964 120.6955 61.1729 37.2953 175.1296 36 E 4.2640 8.8799 124.9882 58.5446 30.1950 177.0316 37 H 4.6117 7.8168 111.6901 55.7850 29.5098 175.3318 38 Y 4.7692 7.3208 118.3543 55.1664 38.6763 173.9989 39 P 4.3360 0.0000 0.0000 65.3879 32.3562 179.0773 40 E 4.2262 8.2237 117.2437 57.6013 30.0032 178.0891 41 L 4.1576 8.0818 120.3289 57.4364 42.1045 178.1017 42 K 4.0384 7.9713 119.0240 58.4757 32.1466 178.8118 43 R 3.8298 8.0205 119.5793 59.4051 30.0533 178.0827 44 R 3.5237 7.4758 117.9601 59.6042 29.7935 178.3824 45 I 3.6254 7.2539 119.1293 64.3850 37.0925 178.1368 46 E 4.1833 7.9526 119.4970 59.3579 29.2654 179.6630 47 Q 4.6672 7.8743 121.0201 58.9520 29.1773 177.3016 48 H 4.4252 8.2476 120.9730 58.5353 29.5429 176.9685 49 V 3.5096 8.0257 119.5027 66.4508 31.6171 177.2108 50 E 3.9411 7.7659 117.4956 60.1657 29.0881 179.3409 51 E 3.9467 8.7966 118.2454 60.0927 29.4991 179.7639 52 T 4.7727 8.2458 116.7299 65.5762 68.1407 176.7928 53 Q 4.0319 8.0380 120.4476 58.4791 28.8800 177.9891 54 Q 4.0910 7.9576 120.2852 58.7645 29.1964 177.8051 55 Q 3.9617 7.9756 119.3124 59.0812 28.9594 178.9988 56 S 4.2616 7.9080 114.7315 61.4104 62.7449 176.4103 57 A 4.2228 7.7814 123.4780 54.7977 18.1020 179.8911 58 G 3.4922 8.0118 104.1663 48.1162 0.0000 176.2659 59 V 4.0079 7.9821 121.1023 65.2482 30.9026 177.8142 60 Q 3.8414 8.1038 119.4742 58.9776 29.0390 177.8367 61 R 4.1526 8.0051 118.7631 58.3995 30.0319 178.7655 62 C 4.1381 8.4590 116.5631 62.8677 28.3685 175.3821 63 L 4.1001 7.6442 120.2159 58.2256 41.1007 179.0508 64 E 3.8896 7.8875 117.1488 59.5329 29.2160 179.0338 65 L 3.8760 7.4790 119.3952 57.9057 42.0924 178.4818 66 L 4.5057 7.5237 115.8974 53.6356 41.8554 177.2604 67 N 4.2443 8.3317 115.3258 53.5335 36.9427 174.5643 68 G 3.7853 7.5188 107.3593 45.3616 0.0000 173.3634 69 S 4.6094 8.0905 114.1555 56.5050 64.9384 173.6000 70 I 3.8918 7.8439 121.8534 59.5752 37.6293 174.6895 71 P 4.3791 0.0000 0.0000 63.2395 31.7245 176.5456 72 T 4.3679 7.9233 115.1489 60.0992 66.7678 174.7771 73 A 4.1932 7.7307 132.6711 52.3976 23.2346 176.1887 *93 T 3.8638 8.5628 110.9241 64.5151 68.1223 177.0798 94 D 3.3700 9.4391 125.6679 52.6683 44.9133 178.8724 95 E 3.3652 7.7637 116.0456 58.5346 33.1734 179.2479 96 V 3.6477 7.5344 123.0238 63.6361 31.3855 177.9218 97 T 3.6142 7.4323 110.3128 64.0214 68.3402 176.1331 98 K 3.9759 7.8803 121.0079 58.9865 32.2778 179.4382 99 G 3.5922 7.9641 105.6323 47.2063 0.0000 176.0488 100 V 3.6716 7.7452 120.9559 66.0013 31.6720 178.0696 101 G 3.7711 7.7690 105.4480 48.0844 0.0000 175.5524 102 I 3.8025 8.0085 122.3343 64.2912 37.1407 178.8204 103 S 4.1649 8.0679 115.7649 61.5022 62.3893 175.9219 104 Y 4.2077 8.6975 121.7599 60.9079 38.8642 177.8882 105 A 3.8878 8.7262 121.8109 54.9621 18.4791 179.0985 106 F 3.8984 8.5230 119.4092 61.6880 39.1169 176.9914 107 E 3.9849 8.4341 117.9646 60.0712 29.3914 179.0431 108 H 4.2619 8.0814 115.0850 57.6142 28.7618 177.6052 109 L 3.7822 7.4298 122.5186 58.0269 41.9458 178.4424 110 E 3.8254 7.9184 118.5565 59.3129 29.3589 179.4675 111 I 3.7354 8.1905 120.1202 64.2271 37.1936 178.3548 112 A 3.9044 7.7886 121.4160 55.3328 18.2191 179.9219 113 S 3.7311 8.3906 113.9657 61.8211 62.7990 176.5683 114 Y 4.1607 8.2249 119.7441 60.8165 37.1534 178.3266 115 R 4.0374 8.1262 118.8737 58.8722 30.0538 178.8403 116 A 3.9378 7.7771 120.9058 54.9396 18.2946 179.6538 117 L 4.3368 7.9454 117.5999 57.6913 41.6179 179.9461 118 V 3.6537 7.9892 118.6395 65.8737 31.4357 178.2615 119 V 3.6021 7.4843 117.5019 65.9437 31.1890 177.7538 120 A 3.9208 7.9912 118.9773 55.0649 18.5263 178.9326 121 A 4.1284 8.3370 119.5241 55.7658 18.4812 180.2133 122 R 3.9205 8.2143 116.3503 59.1675 29.9417 178.7499 123 S 4.2819 8.6176 111.5072 59.7531 60.9885 174.0655 124 A 4.5978 7.1253 121.3063 50.4989 19.8770 176.5650 125 G 4.1276 8.4556 104.5617 47.5982 0.0000 175.8662 126 E 4.4898 7.2303 120.4098 54.8471 27.7869 176.0862 127 Q 4.0796 8.0322 122.3626 58.3959 29.3376 177.1909 128 E 3.9467 8.2297 119.3500 59.5724 29.4544 179.5546 129 V 3.5419 7.7695 117.0425 66.0204 31.7912 177.3321 130 A 4.0151 8.3423 121.0272 55.6555 18.0608 179.4430 131 Q 3.9352 8.6327 117.9852 59.2416 28.9802 178.3880 132 I 3.6869 7.7210 120.8849 64.8061 37.2282 178.3011 133 C 4.1906 8.4730 117.5984 62.5379 27.8421 176.0765 134 E 3.9741 8.1943 120.5013 59.5108 29.0812 179.0789 135 D 4.3044 7.8678 118.5367 57.2356 40.7655 178.8857 136 I 3.7662 7.2221 121.6731 63.6863 37.0042 177.9034 137 L 3.8329 7.4632 121.0548 58.5159 41.8042 178.9056 138 Q 3.9352 8.1869 119.1705 59.2998 28.8089 178.2759 139 Q 4.0208 8.0526 119.1497 58.9619 28.5061 178.4845 140 E 4.2183 8.2210 120.4441 58.5550 29.8289 178.9346 141 I 3.8875 7.9809 120.2334 64.2204 37.0874 178.7987 142 E 3.9003 7.9031 115.8259 56.9018 28.9899 178.7292 *144 A 4.4401 7.9487 123.9513 52.5173 20.8056 179.8949 145 E 4.0425 8.3671 115.2661 59.3366 29.3018 178.9658 146 W 4.1448 8.5091 127.3071 60.9772 30.9275 177.2391 147 L 4.3396 8.6143 117.7147 58.7828 41.2818 179.3936 148 I 3.4217 8.4397 118.0675 64.0539 37.8268 177.4243 149 E 4.0824 8.6482 117.3007 57.9144 29.5905 176.9044 150 H 4.5610 8.0601 115.4337 55.2675 31.4655 175.4749 151 Q 3.8407 7.5920 119.7053 59.3845 28.5280 178.6170 152 E 3.8321 7.9816 119.1405 59.3015 29.8493 178.5087 153 A 4.0763 7.8713 120.2836 55.0575 18.4165 179.6322 154 I 3.6681 7.5720 117.9843 64.5276 37.2169 178.7596 155 V 3.5918 8.0545 119.5370 65.8500 31.2120 178.1889 156 V 3.5900 8.3209 118.1626 66.1381 31.6095 177.6153 157 A 4.1769 8.0822 120.4436 55.4495 17.9756 179.4945 158 F 4.1935 8.5645 118.9233 61.6459 39.6189 177.5554 159 L 3.8991 8.3325 118.5215 57.5717 41.1597 179.3065 160 E 4.0118 8.3155 118.4585 59.1252 29.4438 178.8788 161 R 3.9895 7.6371 118.0191 58.9198 30.3482 177.9571 162 E 4.0484 7.7048 117.8310 58.7302 29.2686 177.5596 163 Q 4.4924 7.8619 119.4496 55.6495 30.0697 175.9818 164 L 4.8210 7.3629 119.3005 53.2859 41.2387 176.3864 165 E 4.6352 8.0393 112.3278 55.4335 32.7929 175.8326 166 G 3.4704 7.1889 113.8187 45.7777 0.0000 172.5170 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 5 Q 8.19 4.25 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.90 0.00 0.00 0.00 0.00 0.00 2.28 2.36 0.00 6 S 7.65 4.05 0.00 4.20 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 7 R 8.65 3.89 0.00 1.87 1.91 0.00 3.16 0.00 0.00 3.32 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 8 E 7.94 3.84 0.00 2.17 1.90 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 2.29 2.32 0.00 9 R 7.86 3.55 0.00 1.61 1.68 0.00 2.21 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.95 0.00 10 L 7.26 3.87 0.00 1.90 1.81 0.98 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 11 V 7.74 3.56 2.17 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 1.02 0.00 0.00 0.99 0.00 0.00 12 K 7.88 4.17 0.00 1.91 1.92 0.00 1.79 0.00 0.00 1.78 0.00 0.00 3.08 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.55 7.81 13 W 8.01 4.67 0.00 3.43 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 14 L 8.19 4.12 0.00 2.05 1.78 0.96 1.13 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 15 Q 8.52 4.08 0.00 2.32 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.79 0.00 0.00 0.00 0.00 0.00 2.52 2.74 0.00 16 D 8.52 4.50 0.00 2.82 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 17 A 7.85 3.93 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 Y 8.34 4.18 0.00 3.12 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 19 A 8.06 3.85 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 *21 E 8.07 4.26 0.00 2.00 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 2.62 2.35 0.00 22 K 7.67 3.94 0.00 1.66 1.75 0.00 1.54 0.00 0.00 1.49 0.00 0.00 2.55 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.91 1.18 7.81 23 E 7.81 4.15 0.00 2.06 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 2.59 2.54 0.00 24 A 7.85 3.77 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 E 7.94 3.99 0.00 1.92 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 2.27 2.31 0.00 26 T 7.18 4.03 4.31 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 1.16 0.00 0.00 *29 A 7.73 4.13 1.35 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 30 A 7.94 3.59 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 *32 A 8.06 4.34 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 33 S 8.00 4.21 0.00 4.00 4.12 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 34 R 7.27 4.42 0.00 1.95 1.99 0.00 3.23 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.83 0.00 35 I 7.50 4.07 2.04 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.51 1.08 0.00 0.00 36 E 8.88 4.26 0.00 1.53 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 0.00 2.21 2.36 0.00 37 H 7.82 4.61 0.00 2.38 2.83 0.00 5.66 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 Y 7.32 4.77 0.00 3.04 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 39 P 0.00 4.34 0.00 2.26 2.33 0.00 3.81 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 2.14 2.01 0.00 40 E 8.22 4.23 0.00 2.24 2.29 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 2.47 2.38 0.00 41 L 8.08 4.16 0.00 1.97 1.97 1.06 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 42 K 7.97 4.04 0.00 2.09 1.95 0.00 1.70 0.00 0.00 1.58 0.00 0.00 3.03 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.42 1.59 7.81 43 R 8.02 3.83 0.00 2.05 1.99 0.00 3.18 0.00 0.00 3.06 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 44 R 7.48 3.52 0.00 0.98 1.05 0.00 2.69 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.08 0.00 45 I 7.25 3.63 1.90 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 1.46 0.31 0.87 0.00 0.00 46 E 7.95 4.18 0.00 1.91 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 2.31 2.45 0.00 47 Q 7.87 4.67 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.77 0.00 0.00 0.00 0.00 0.00 2.40 2.28 0.00 48 H 8.25 4.43 0.00 3.29 3.35 0.00 5.90 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 49 V 8.03 3.51 2.23 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 0.85 0.00 0.00 0.95 0.00 0.00 50 E 7.77 3.94 0.00 2.18 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 2.32 2.48 0.00 51 E 8.80 3.95 0.00 2.03 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 2.31 2.34 0.00 52 T 8.25 4.77 4.30 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 1.24 0.00 0.00 53 Q 8.04 4.03 0.00 2.24 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.82 0.00 0.00 0.00 0.00 0.00 2.43 2.31 0.00 54 Q 7.96 4.09 0.00 2.15 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.91 0.00 0.00 0.00 0.00 0.00 2.41 2.50 0.00 55 Q 7.98 3.96 0.00 2.31 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.55 0.00 0.00 0.00 0.00 0.00 2.40 2.55 0.00 56 S 7.91 4.26 0.00 3.62 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 57 A 7.78 4.22 1.42 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 0.00 0.00 58 G 8.01 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 V 7.98 4.01 2.35 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 1.19 0.00 0.00 1.16 0.00 0.00 60 Q 8.10 3.84 0.00 2.62 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.55 0.00 0.00 0.00 0.00 0.00 2.34 2.27 0.00 61 R 8.01 4.15 0.00 2.08 1.96 0.00 3.19 0.00 0.00 3.18 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.85 0.00 62 C 8.46 4.14 0.00 2.93 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 63 L 7.64 4.10 0.00 1.57 1.67 0.86 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 64 E 7.89 3.89 0.00 2.26 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 2.31 2.52 0.00 65 L 7.48 3.88 0.00 1.65 1.99 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 66 L 7.52 4.51 0.00 1.65 1.63 0.92 0.80 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 67 N 8.33 4.24 0.00 2.85 2.92 0.00 0.00 6.87 7.82 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 68 G 7.52 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 0.00 0.00 0.00 69 S 8.09 4.61 0.00 3.96 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 70 I 7.84 3.89 1.77 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 -0.10 0.80 0.00 0.00 71 P 0.00 4.38 0.00 2.25 2.10 0.00 3.50 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.14 0.00 72 T 7.92 4.37 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 1.24 0.00 0.00 73 A 7.73 4.19 1.21 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 0.00 0.00 0.00 *93 T 8.56 3.86 4.30 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 1.27 0.00 0.00 94 D 9.44 3.37 0.00 2.92 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 95 E 7.76 3.37 0.00 2.31 2.47 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 2.37 2.55 0.00 96 V 7.53 3.65 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.98 0.00 0.00 97 T 7.43 3.61 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 0.55 0.00 0.00 98 K 7.88 3.98 0.00 1.73 1.87 0.00 1.66 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.50 1.74 7.81 99 G 7.96 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 V 7.75 3.67 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.85 0.00 0.00 101 G 7.77 3.77 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 0.00 0.00 0.00 102 I 8.01 3.80 1.88 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 1.55 0.83 0.93 0.00 0.00 103 S 8.07 4.16 0.00 4.08 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 0.00 104 Y 8.70 4.21 0.00 2.95 3.21 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 0.00 105 A 8.73 3.89 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 0.00 106 F 8.52 3.90 0.00 3.32 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 0.00 107 E 8.43 3.98 0.00 2.19 1.90 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 2.64 2.55 0.00 108 H 8.08 4.26 0.00 3.11 3.19 0.00 5.61 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 L 7.43 3.78 0.00 1.50 1.31 0.75 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 110 E 7.92 3.83 0.00 2.21 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.23 0.00 111 I 8.19 3.74 1.78 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.84 0.89 0.00 0.00 112 A 7.79 3.90 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 0.00 113 S 8.39 3.73 0.00 3.37 3.47 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 0.00 114 Y 8.22 4.16 0.00 3.10 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 0.00 115 R 8.13 4.04 0.00 2.13 1.98 0.00 3.13 0.00 0.00 3.17 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.74 0.00 116 A 7.78 3.94 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 L 7.95 4.34 0.00 1.97 1.91 0.80 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 118 V 7.99 3.65 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 1.04 0.00 0.00 1.05 0.00 0.00 119 V 7.48 3.60 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 1.01 0.00 0.00 1.09 0.00 0.00 120 A 7.99 3.92 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 0.00 121 A 8.34 4.13 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 0.00 122 R 8.21 3.92 0.00 2.02 2.01 0.00 3.16 0.00 0.00 3.31 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.89 0.00 123 S 8.62 4.28 0.00 3.79 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 0.00 124 A 7.13 4.60 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 G 8.46 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 0.00 0.00 0.00 0.00 126 E 7.23 4.49 0.00 2.14 1.90 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 2.44 2.46 0.00 127 Q 8.03 4.08 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.85 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 128 E 8.23 3.95 0.00 2.06 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 2.41 2.45 0.00 129 V 7.77 3.54 2.24 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 1.19 0.00 0.00 0.95 0.00 0.00 130 A 8.34 4.02 1.42 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 0.00 0.00 131 Q 8.63 3.94 0.00 2.35 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.74 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 132 I 7.72 3.69 2.05 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 1.64 1.08 0.93 0.00 0.00 133 C 8.47 4.19 0.00 3.20 3.17 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 0.00 134 E 8.19 3.97 0.00 2.21 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 2.34 2.49 0.00 135 D 7.87 4.30 0.00 2.73 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 0.00 136 I 7.22 3.77 1.20 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.52 0.03 0.00 0.00 137 L 7.46 3.83 0.00 1.79 1.91 0.95 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 138 Q 8.19 3.94 0.00 2.33 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 139 Q 8.05 4.02 0.00 2.28 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.54 0.00 140 E 8.22 4.22 0.00 1.93 2.16 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 2.48 2.58 0.00 141 I 7.98 3.89 2.07 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 1.50 0.84 0.93 0.00 0.00 142 E 7.90 3.90 0.00 2.19 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 2.37 2.55 0.00 *144 A 7.95 4.44 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 0.00 145 E 8.37 4.04 0.00 2.28 2.24 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 2.41 2.69 0.00 146 W 8.51 4.14 0.00 3.37 3.24 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 0.00 147 L 8.61 4.34 0.00 2.20 1.92 1.07 0.81 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 0.00 148 I 8.44 3.42 1.92 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 1.35 1.05 1.04 0.00 0.00 149 E 8.65 4.08 0.00 1.77 1.67 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 2.25 2.47 0.00 150 H 8.06 4.56 0.00 2.98 3.03 0.00 5.84 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 7.59 3.84 0.00 2.07 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.81 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 152 E 7.98 3.83 0.00 1.99 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 0.00 2.35 2.33 0.00 153 A 7.87 4.08 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 0.00 154 I 7.57 3.67 1.80 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.46 0.28 0.00 0.00 155 V 8.05 3.59 2.22 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 1.01 0.00 0.00 0.89 0.00 0.00 156 V 8.32 3.59 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 1.03 0.00 0.00 157 A 8.08 4.18 1.65 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 0.00 0.00 0.00 0.00 0.00 0.00 158 F 8.56 4.19 0.00 3.37 3.29 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 0.00 159 L 8.33 3.90 0.00 1.81 1.73 1.01 1.02 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 0.00 160 E 8.32 4.01 0.00 2.06 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 2.34 2.45 0.00 161 R 7.64 3.99 0.00 1.95 1.80 0.00 3.08 0.00 0.00 3.01 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.51 0.00 162 E 7.70 4.05 0.00 2.04 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.31 0.00 163 Q 7.86 4.49 0.00 2.30 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 7.03 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 164 L 7.36 4.82 0.00 1.73 1.58 0.89 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 165 E 8.04 4.64 0.00 2.03 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 2.14 2.28 0.00 166 G 7.19 3.47 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 0.00 * Residues marked with a * may have inaccurate shift predictions.