NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 3.9989 8.3401 118.8015 56.2033 29.8420 175.1070 4 A 4.2153 7.5072 118.1335 53.0638 21.9596 176.1026 5 Q 4.3186 8.2303 114.9542 55.5429 30.8521 175.0905 6 T 4.1784 7.4685 113.9598 62.7059 67.3655 175.6242 7 R 3.7540 7.7305 120.5253 60.4064 29.8664 177.7766 8 D 4.4014 7.9264 118.0536 57.2188 40.2238 178.6547 9 Q 3.9455 7.7009 120.0449 58.8958 29.0907 177.6807 10 I 3.7489 7.5857 119.0698 63.5854 38.0987 177.8538 11 V 3.4793 7.6369 119.4587 65.5025 31.2615 177.6755 12 A 3.8813 7.6605 119.9927 55.2858 18.3281 179.4781 13 A 3.8758 7.6557 118.0278 55.1875 18.4141 179.7022 14 A 3.4645 7.7806 119.3409 54.6269 18.3334 179.2739 15 D 4.0874 7.8440 116.7206 57.5341 41.3572 178.0364 16 E 3.9616 8.0070 119.6432 59.3026 29.6421 178.8285 17 L 3.9349 7.8050 118.8291 57.9574 41.7874 179.5685 18 F 4.9180 8.4551 118.0328 60.6962 38.5578 177.2670 19 Y 4.3328 7.9819 118.5325 61.0014 38.7952 177.6741 20 R 2.5188 8.0574 117.8436 57.8235 30.1453 177.9999 21 Q 4.4586 8.6765 116.4009 54.3646 30.4912 176.9374 22 G 4.0756 7.4176 104.5745 45.3665 0.0000 173.5791 23 F 3.6575 9.8104 122.2953 60.7113 39.5412 178.0790 24 A 3.4260 8.3365 122.0153 54.5424 18.1713 178.1323 25 Q 4.2680 7.7616 112.1309 56.4386 29.4231 175.7047 26 T 4.6355 7.3238 115.3271 62.4346 69.8911 174.4533 27 S 4.8286 8.2811 119.3071 55.8913 67.3102 175.3779 28 F 4.1474 8.5244 119.7883 60.3986 38.3844 177.9805 29 V 3.7997 7.7668 118.3373 65.2999 31.0147 177.4428 30 D 4.3530 7.7651 119.9193 57.3202 40.1949 179.4665 31 I 3.6696 8.1751 119.8909 64.5292 37.2642 178.8934 32 S 4.2808 8.8458 115.9992 61.2978 62.4740 176.4144 33 A 3.9362 8.0984 123.8863 55.2041 18.1728 178.5776 34 A 3.8692 7.7661 117.6853 56.3657 18.3578 179.9337 35 V 3.9166 7.5716 109.4797 63.2043 32.5701 177.4895 36 G 4.1581 8.8312 108.9347 46.2485 0.0000 172.4750 37 I 4.4826 7.4364 117.0542 58.5313 40.4877 176.4932 38 S 4.6388 8.2407 117.5813 58.1388 66.3789 174.5842 39 R 4.0026 8.6131 116.3704 59.8397 29.2811 178.5737 40 G 3.8521 8.1205 105.9278 47.0749 0.0000 175.1647 41 N 4.5574 8.0667 117.9191 55.7789 39.1914 176.3151 42 F 4.2979 7.7441 121.9251 61.0401 39.6864 177.1164 43 Y 5.4119 7.9341 116.1281 60.9645 37.6574 177.3725 44 Y 4.0709 7.7055 117.9884 62.2060 38.7887 177.8736 45 H 4.2095 8.1251 117.4476 57.0487 29.7697 175.7926 46 F 5.1485 7.5593 117.9137 55.7483 42.9555 175.0023 47 K 4.8296 9.2387 120.7309 57.5743 34.3143 176.9084 48 T 5.0278 8.1171 106.7231 58.9291 72.1686 174.6047 49 K 4.3802 9.0174 122.7682 60.3430 32.2599 179.2921 50 D 4.6209 8.5044 118.2001 57.1697 40.5250 178.6313 51 E 4.0352 8.3246 119.6524 59.4883 29.7924 178.6441 52 I 3.0793 7.3757 119.4853 64.2708 37.0944 178.1714 53 L 4.2444 8.3927 120.7831 57.9159 41.8769 178.6315 54 A 4.1770 7.9887 120.6588 55.6264 18.3080 179.6012 55 E 4.0020 7.8960 115.3782 59.3733 29.3203 179.8919 56 V 3.5427 7.8908 118.4893 66.0759 31.6769 178.1547 57 I 3.5109 7.9926 119.6377 64.3126 36.7159 178.5333 58 R 3.8371 8.1078 118.9023 59.1205 29.9128 178.3880 59 L 3.8879 8.4014 120.3307 58.6928 41.6991 179.3608 60 R 3.8438 8.8961 118.6414 59.3623 29.9997 179.1262 61 L 4.0148 7.9329 118.3128 57.2788 41.4995 179.5499 62 A 3.8554 7.6219 121.0228 55.1740 18.2888 179.7224 63 R 3.8743 7.8290 114.7237 58.6723 30.1516 177.6111 64 T 3.9535 6.9842 112.4409 63.9545 70.6213 175.4678 65 A 3.8907 7.5763 123.2921 54.4964 19.2462 179.4357 66 Q 3.8848 7.7414 114.1567 56.6531 28.2332 177.5116 *68 L 2.9720 7.9668 118.5350 53.6702 43.8936 178.5403 69 A 4.1404 7.5136 120.5561 55.7427 18.4262 179.1387 70 D 4.6667 8.0718 116.6289 57.3636 40.6850 179.4262 71 W 4.5600 8.0557 119.1486 59.9522 29.0497 178.2098 72 Q 4.3781 8.3345 118.4583 59.6963 28.5463 177.3084 73 G 3.7546 8.8879 107.9515 46.2663 0.0000 175.0921 74 T 4.2043 8.2978 114.2456 63.0924 69.4955 175.4712 75 G 3.7854 7.5532 110.2128 45.3861 0.0000 172.7406 76 D 4.9634 8.6352 122.7074 52.4568 39.7403 175.2939 77 S 4.5124 7.4384 114.1135 56.4706 65.5897 172.2147 78 P 4.2364 0.0000 0.0000 65.8784 31.2558 178.0413 79 R 3.8530 7.9690 118.8650 58.2681 29.8924 178.4905 80 A 3.9300 7.6336 119.8442 55.3953 18.2865 179.9407 81 R 4.0961 7.4821 114.5363 58.9783 30.3172 178.5686 82 I 4.1363 7.7380 117.7535 62.8548 38.1529 177.1215 83 A 4.2124 7.9527 121.0867 54.2147 18.1095 179.4949 84 S 3.6400 7.4591 113.0496 61.0890 62.8062 176.3733 85 F 3.4307 7.3366 122.9198 61.1688 39.0961 177.5253 86 I 3.6268 7.8932 117.2801 63.8620 37.0266 176.5645 87 D 4.6473 7.4784 117.6446 54.3067 41.2755 178.2336 88 L 4.0751 7.0283 121.0980 55.3313 41.2469 177.1462 *90 I 3.9540 7.7651 115.0658 60.9530 38.5446 176.2556 *92 N 4.5420 7.9623 115.9132 52.8404 40.0993 177.1135 93 R 3.9186 7.8364 118.1305 59.3223 29.1520 177.7605 94 A 3.9321 7.9183 120.8152 55.1123 18.5471 179.6702 95 K 3.9995 8.0417 116.4820 59.5964 32.2030 179.5998 96 I 4.1400 8.5162 122.2029 64.1210 37.0747 178.5746 97 T 3.9677 8.1168 110.4916 63.9897 68.4136 176.4279 98 R 3.9213 7.3908 120.6724 57.7505 30.6683 176.3252 99 Y 4.6290 8.2168 112.9653 56.7843 39.2163 176.7022 100 G 4.0598 8.1802 109.2771 44.7893 0.0000 172.3462 101 C 4.3759 8.3506 118.3387 58.4509 32.1764 172.5379 102 P 3.8177 0.0000 0.0000 65.9874 30.6984 178.9211 103 V 3.4457 7.4325 118.2293 65.0960 31.4360 177.7282 104 G 3.9836 7.8916 105.0816 48.1900 0.0000 175.4862 105 S 4.2157 8.2535 117.0375 60.6932 62.8172 176.4051 106 L 3.9757 7.6964 123.8907 58.2768 41.8705 178.6874 107 C 4.2270 8.4704 117.3580 63.0086 28.1063 176.2303 108 T 3.9802 8.4291 111.9012 64.6087 68.4298 176.3920 109 E 3.9357 8.1380 121.7048 59.2110 29.6623 178.8889 110 L 3.9962 8.2617 119.3254 57.4749 41.4333 179.5622 111 S 4.0561 8.4881 113.8104 61.2303 62.1723 175.7450 112 K 3.8880 7.8018 120.8522 59.8234 32.0437 178.1463 113 L 4.0128 7.5492 118.0318 55.8688 41.8042 176.8144 114 D 4.5382 7.7565 116.1922 55.4280 39.9970 173.4128 115 H 4.3697 8.4010 116.8969 55.0286 30.6740 175.5892 116 A 3.9021 8.3209 128.2339 55.0997 18.3806 178.2416 117 A 4.4230 8.0954 116.2253 52.3403 19.5685 178.3580 118 Q 4.0541 8.1676 118.5627 59.2943 28.6207 179.1022 119 G 3.5985 7.9741 105.2249 47.7932 0.0000 174.7941 120 Q 4.1238 8.1356 121.9221 58.8867 29.1822 178.1378 121 A 3.9907 8.1202 121.6619 55.2879 18.3983 178.9064 122 N 4.7933 8.4960 114.8353 55.8979 39.0687 177.1153 123 G 3.8444 7.9614 106.4971 47.4324 0.0000 175.8417 124 L 4.0105 7.8273 121.2478 57.7524 41.5483 179.1198 125 F 4.4400 8.1177 117.2066 61.2546 38.8716 177.4212 126 T 4.0027 8.5435 115.5300 66.9432 68.2304 175.4666 127 L 3.9478 9.1143 120.4037 57.3785 41.5738 179.6819 128 F 3.9100 6.9085 116.4895 60.2997 39.6706 177.4485 129 R 4.0257 8.6590 118.8941 60.0280 29.7788 178.3144 130 D 4.5177 8.6405 118.4806 56.7273 40.7507 178.6778 131 W 4.1981 8.0345 129.3212 60.2116 30.9196 178.2387 132 L 3.9964 8.6163 119.0289 57.4089 41.0700 179.1822 133 Q 4.2102 8.2323 120.0148 58.7660 28.9622 178.1028 134 R 3.7971 7.5983 120.0323 59.3646 30.1634 178.1377 135 Q 3.6856 7.5126 117.8403 59.1047 28.6697 179.3701 136 F 4.3184 7.9299 118.0646 60.8872 38.7541 176.8912 137 A 4.0340 7.7865 118.3504 56.1844 18.1506 179.2656 138 E 3.9924 8.7900 116.6513 59.1031 29.6954 179.3188 139 A 4.2719 8.3557 120.8805 53.0836 18.6068 178.8206 140 G 4.7869 6.9699 116.3977 46.6079 0.0000 172.5486 141 C 4.6567 7.0564 121.7018 56.7810 31.0606 173.5951 142 T 3.9191 8.2189 120.7169 66.5931 68.4028 175.3530 143 T 4.0996 7.8426 116.0616 65.4213 69.0296 175.4200 144 E 4.3589 7.9755 118.7221 55.7609 30.1782 176.8666 145 A 3.9441 7.5541 121.2928 55.8019 18.1724 177.6549 146 P 4.2176 0.0000 0.0000 65.9503 31.5315 178.3783 147 A 4.2004 7.6562 117.5099 54.7859 18.6794 179.3899 148 L 4.1945 7.7928 117.0021 57.4428 41.4612 179.2288 149 A 4.1808 7.9144 117.3236 53.6002 17.7744 178.3495 *151 H 4.4859 8.0177 119.7705 57.2143 31.8593 175.1850 152 L 3.7469 8.0604 120.2404 58.0612 41.4343 178.4329 153 L 4.0218 7.8843 120.1294 58.5147 41.9118 179.0091 154 A 3.9511 7.8272 119.7035 55.0837 18.4356 179.2202 155 R 3.7259 8.3459 117.8553 59.7894 30.1538 179.4069 156 S 4.1834 8.4351 113.7402 61.4980 62.8351 176.4214 157 Q 4.1813 7.8952 121.0309 58.4761 28.5403 178.6192 158 G 3.6043 8.1988 106.7871 47.5099 0.0000 175.5852 159 A 4.1644 8.1457 122.9833 55.1851 18.4895 179.6873 160 A 4.0084 8.2707 119.1977 55.4208 18.3945 180.0678 161 T 3.8639 8.3249 114.6749 67.0101 68.6480 177.0410 162 L 4.1074 8.2186 120.6221 57.5374 41.5137 179.2570 163 A 4.3170 8.4787 121.0820 55.6375 18.4372 179.5787 164 Q 4.5612 8.2561 119.1870 58.6623 28.8786 178.2653 165 S 4.0326 7.6999 113.4235 61.2577 62.4906 174.8835 166 F 4.2413 8.5557 115.9534 57.7541 39.2320 174.8374 167 H 3.9410 7.3710 116.3712 57.1399 26.7507 176.2117 168 D 4.7436 8.4357 118.1532 51.7596 42.5664 175.0759 169 E 4.2410 8.7353 127.6612 58.5005 29.7361 178.0836 170 G 3.7694 8.2643 105.6803 47.9410 0.0000 174.9859 171 F 4.2041 8.1184 123.0061 60.8354 39.2755 176.5811 172 L 3.7085 7.5977 118.6807 58.4369 41.7331 179.3322 173 R 3.8227 7.7167 117.0964 59.2248 30.1134 178.5130 174 S 3.9758 8.1253 113.2556 61.7035 62.0363 176.0586 175 E 3.6684 7.8897 120.0502 59.5351 29.3289 179.5214 176 V 3.6344 7.6894 116.4482 65.6822 31.6692 177.6227 177 A 4.2298 7.9483 120.8776 54.9351 18.1689 179.9315 178 D 4.6694 7.6879 115.1272 55.0667 40.6212 177.9070 *180 H 4.7747 8.3854 115.1310 55.6336 30.9379 175.6713 181 R 4.1618 8.3113 118.3532 59.3919 30.0691 178.7776 182 W 4.1930 8.5355 127.8486 60.4381 30.3169 177.2939 183 L 4.0781 8.0476 118.4607 56.6899 41.3867 178.3623 184 D 4.2812 8.0239 118.9264 57.8688 40.8812 178.0511 185 N 4.7439 7.2767 110.6317 54.3260 38.1125 175.2725 186 T 4.0278 7.5345 113.9863 65.0676 70.2452 175.3148 187 L 4.3777 6.9995 119.2378 54.2530 43.4008 177.5603 188 P 4.8058 0.0000 0.0000 62.5256 29.8352 176.3688 *190 T 4.1044 8.6302 119.1486 62.8683 68.9514 173.3164 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 3 Q 8.34 4.00 0.00 1.19 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.84 0.00 0.00 0.00 0.00 0.00 2.18 2.35 0.00 4 A 7.51 4.22 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 Q 8.23 4.32 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.97 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 6 T 7.47 4.18 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 1.06 0.00 0.00 7 R 7.73 3.75 0.00 1.88 1.86 0.00 3.17 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 8 D 7.93 4.40 0.00 2.81 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 Q 7.70 3.95 0.00 2.05 2.21 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 2.30 2.31 0.00 10 I 7.59 3.75 1.79 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.10 0.94 0.00 0.00 11 V 7.64 3.48 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 0.92 0.00 0.00 1.08 0.00 0.00 12 A 7.66 3.88 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 13 A 7.66 3.88 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 14 A 7.78 3.46 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 D 7.84 4.09 0.00 2.80 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 16 E 8.01 3.96 0.00 2.10 1.87 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 2.27 2.34 0.00 17 L 7.81 3.93 0.00 1.76 1.71 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 18 F 8.46 4.92 0.00 3.05 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 19 Y 7.98 4.33 0.00 2.85 3.05 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 20 R 8.06 2.52 0.00 1.51 1.35 0.00 3.02 0.00 0.00 3.07 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.27 0.00 21 Q 8.68 4.46 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.35 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 22 G 7.42 4.08 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 0.00 23 F 9.81 3.66 0.00 2.57 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 24 A 8.34 3.43 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Q 7.76 4.27 0.00 2.02 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.78 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 26 T 7.32 4.64 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 27 S 8.28 4.83 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 28 F 8.52 4.15 0.00 2.76 2.34 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 29 V 7.77 3.80 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 0.90 0.00 0.00 0.88 0.00 0.00 30 D 7.77 4.35 0.00 3.05 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 31 I 8.18 3.67 1.89 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.33 0.97 0.00 0.00 32 S 8.85 4.28 0.00 3.83 3.42 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 33 A 8.10 3.94 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 34 A 7.77 3.87 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 35 V 7.57 3.92 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 1.00 0.00 0.00 36 G 8.83 4.16 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 0.00 37 I 7.44 4.48 1.96 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.56 0.91 0.00 0.00 38 S 8.24 4.64 0.00 4.11 4.09 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 39 R 8.61 4.00 0.00 2.21 2.29 0.00 3.23 0.00 0.00 3.94 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.94 0.00 40 G 8.12 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 0.00 0.00 0.00 41 N 8.07 4.56 0.00 2.77 2.99 0.00 0.00 7.13 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 42 F 7.74 4.30 0.00 2.96 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 43 Y 7.93 5.41 0.00 3.28 3.07 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 44 Y 7.71 4.07 0.00 3.19 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 45 H 8.13 4.21 0.00 2.68 2.73 0.00 5.89 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 46 F 7.56 5.15 0.00 2.38 2.65 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 47 K 9.24 4.83 0.00 2.12 1.99 0.00 1.70 0.00 0.00 1.99 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.52 7.81 48 T 8.12 5.03 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 1.38 0.00 0.00 49 K 9.02 4.38 0.00 1.91 2.05 0.00 1.45 0.00 0.00 1.56 0.00 0.00 2.13 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.71 1.36 7.81 50 D 8.50 4.62 0.00 2.83 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 51 E 8.32 4.04 0.00 2.31 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 2.76 2.57 0.00 52 I 7.38 3.08 2.13 0.00 0.00 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 -0.03 -0.36 0.70 0.00 0.00 53 L 8.39 4.24 0.00 1.85 1.84 0.80 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 54 A 7.99 4.18 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 55 E 7.90 4.00 0.00 2.23 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 0.00 2.47 2.74 0.00 56 V 7.89 3.54 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 1.09 0.00 0.00 0.91 0.00 0.00 57 I 7.99 3.51 1.99 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.84 0.92 0.00 0.00 58 R 8.11 3.84 0.00 2.07 1.97 0.00 3.31 0.00 0.00 3.11 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.89 0.00 59 L 8.40 3.89 0.00 1.77 1.93 0.88 1.25 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 60 R 8.90 3.84 0.00 1.89 1.90 0.00 3.16 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.85 0.00 61 L 7.93 4.01 0.00 1.85 1.66 0.92 0.97 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 62 A 7.62 3.86 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 63 R 7.83 3.87 0.00 1.73 1.91 0.00 3.23 0.00 0.00 3.15 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.75 0.00 64 T 6.98 3.95 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 0.52 0.00 0.00 65 A 7.58 3.89 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 Q 7.74 3.88 0.00 2.06 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.34 0.00 0.00 0.00 0.00 0.00 2.26 2.22 0.00 *68 L 7.97 2.97 0.00 1.27 1.00 -0.32 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 69 A 7.51 4.14 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 70 D 8.07 4.67 0.00 2.62 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 71 W 8.06 4.56 0.00 3.51 3.52 0.00 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0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 107 C 8.47 4.23 0.00 3.31 3.27 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 0.00 108 T 8.43 3.98 4.28 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 1.33 0.00 0.00 109 E 8.14 3.94 0.00 2.25 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 2.36 2.39 0.00 110 L 8.26 4.00 0.00 1.81 1.65 0.76 0.33 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 0.00 111 S 8.49 4.06 0.00 4.15 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 0.00 112 K 7.80 3.89 0.00 1.80 1.99 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.55 7.81 113 L 7.55 4.01 0.00 1.90 1.82 1.11 1.14 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 0.00 114 D 7.76 4.54 0.00 2.78 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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123 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 0.00 124 L 7.83 4.01 0.00 1.80 1.70 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 125 F 8.12 4.44 0.00 3.41 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 0.00 126 T 8.54 4.00 4.48 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 1.28 0.00 0.00 127 L 9.11 3.95 0.00 1.93 1.43 0.76 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 128 F 6.91 3.91 0.00 3.37 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 0.00 129 R 8.66 4.03 0.00 2.11 2.30 0.00 3.16 0.00 0.00 3.24 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.78 0.00 130 D 8.64 4.52 0.00 2.93 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 0.00 131 W 8.03 4.20 0.00 3.30 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 L 8.62 4.00 0.00 1.94 1.70 0.35 0.82 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 0.00 133 Q 8.23 4.21 0.00 2.44 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.83 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 134 R 7.60 3.80 0.00 1.79 1.77 0.00 2.89 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.56 0.00 135 Q 7.51 3.69 0.00 1.73 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 1.79 1.86 0.00 136 F 7.93 4.32 0.00 3.18 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 0.00 137 A 7.79 4.03 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 0.00 138 E 8.79 3.99 0.00 1.86 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 2.38 0.00 139 A 8.36 4.27 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 0.00 140 G 6.97 4.79 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 0.00 141 C 7.06 4.66 0.00 2.88 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 T 8.22 3.92 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 143 T 7.84 4.10 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 1.20 0.00 0.00 144 E 7.98 4.36 0.00 2.00 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 2.22 2.29 0.00 145 A 7.55 3.94 1.56 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 0.00 0.00 0.00 0.00 0.00 0.00 146 P 0.00 4.22 0.00 2.04 2.17 0.00 3.61 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.20 0.00 147 A 7.66 4.20 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 0.00 148 L 7.79 4.19 0.00 1.10 1.00 0.29 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 149 A 7.91 4.18 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 *151 H 8.02 4.49 0.00 3.27 3.50 0.00 5.88 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 L 8.06 3.75 0.00 1.97 1.88 1.02 0.82 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 0.00 153 L 7.88 4.02 0.00 2.12 1.72 1.13 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 154 A 7.83 3.95 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 0.00 155 R 8.35 3.73 0.00 1.79 1.87 0.00 3.05 0.00 0.00 2.81 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.16 0.00 156 S 8.44 4.18 0.00 4.01 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 0.00 157 Q 7.90 4.18 0.00 2.29 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.76 2.66 0.00 158 G 8.20 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 0.00 0.00 0.00 159 A 8.15 4.16 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 0.00 160 A 8.27 4.01 1.43 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 0.00 0.00 161 T 8.32 3.86 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 162 L 8.22 4.11 0.00 1.81 1.60 0.66 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 163 A 8.48 4.32 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 Q 8.26 4.56 0.00 2.39 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.78 0.00 0.00 0.00 0.00 0.00 2.31 2.19 0.00 165 S 7.70 4.03 0.00 3.77 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 0.00 166 F 8.56 4.24 0.00 3.16 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 0.00 167 H 7.37 3.94 0.00 3.33 3.31 0.00 5.60 0.00 0.00 0.00 0.00 8.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 D 8.44 4.74 0.00 2.87 2.64 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 0.00 169 E 8.74 4.24 0.00 2.10 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 2.39 2.39 0.00 170 G 8.26 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 0.00 171 F 8.12 4.20 0.00 3.09 3.27 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 0.00 172 L 7.60 3.71 0.00 1.93 1.74 0.89 0.98 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 0.00 173 R 7.72 3.82 0.00 2.12 1.94 0.00 3.20 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 174 S 8.13 3.98 0.00 3.85 3.80 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 0.00 175 E 7.89 3.67 0.00 1.61 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 0.00 1.47 1.93 0.00 176 V 7.69 3.63 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 0.88 0.00 0.00 0.91 0.00 0.00 177 A 7.95 4.23 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 D 7.69 4.67 0.00 2.78 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *180 H 8.39 4.77 0.00 3.44 3.39 0.00 5.70 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 0.00 181 R 8.31 4.16 0.00 2.08 2.09 0.00 3.18 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 182 W 8.54 4.19 0.00 3.46 3.33 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 0.00 183 L 8.05 4.08 0.00 2.14 1.98 1.18 1.28 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 0.00 184 D 8.02 4.28 0.00 3.01 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 0.00 185 N 7.28 4.74 0.00 2.65 2.74 0.00 0.00 7.00 7.42 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 0.00 186 T 7.53 4.03 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 0.79 0.00 0.00 187 L 7.00 4.38 0.00 1.54 1.60 0.95 1.19 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 0.00 188 P 0.00 4.81 0.00 2.02 1.17 0.00 3.82 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 1.96 2.03 0.00 *190 T 8.63 4.10 4.23 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 1.20 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.