NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 F 5.4585 8.3093 119.4325 57.5497 39.6252 174.5085 9 S 4.4648 9.8614 122.1335 56.5426 64.2260 172.2342 10 E 4.0829 9.0716 121.8806 59.4338 30.3732 179.5569 11 E 4.2487 8.4767 118.9960 59.6143 29.3733 178.6905 12 Q 4.2816 8.1538 119.2827 58.5553 28.7355 178.8136 13 F 3.8603 7.8095 118.0256 60.2501 38.6617 177.8691 14 W 4.2559 8.0211 118.7387 59.5420 28.6946 177.9406 15 E 4.2178 8.4531 119.3882 59.5924 28.8942 179.1649 16 A 4.2231 7.7934 120.1535 55.4826 18.3489 179.1743 17 C 4.0325 8.3272 114.2909 63.7001 28.4600 175.5345 18 A 4.0381 9.2004 123.6831 54.8585 16.9151 179.0794 19 E 4.4935 8.1005 117.8506 57.8984 29.3513 179.5513 20 L 3.9420 7.1053 120.1297 58.2766 42.1878 178.1354 21 Q 4.0921 7.8031 116.0183 58.2851 29.0438 176.6157 22 Q 4.3440 7.4348 118.1371 53.1279 31.8002 172.8572 23 P 4.2356 0.0000 0.0000 62.6111 31.7529 176.2347 24 A 4.4792 8.3202 124.4930 50.2976 18.9947 175.9388 25 L 4.5463 7.7448 116.4658 54.3555 44.9370 178.7719 26 A 4.1096 8.1846 122.2983 55.1147 18.4510 179.3286 27 G 3.6997 8.1866 102.7176 47.3377 0.0000 172.4248 28 A 4.8295 7.5294 119.9231 50.1949 22.2088 174.4373 29 D 4.6720 8.2988 116.1526 54.3433 41.2914 176.1337 30 W 4.3375 8.3832 118.1166 57.3220 29.6908 175.7318 31 Q 4.9256 9.6009 124.8275 53.8528 30.8951 175.6533 32 L 3.9218 8.6212 124.7629 55.4566 42.7245 175.3545 33 L 4.6963 8.0706 119.4992 56.0310 48.3656 175.2817 34 V 4.5027 7.4098 116.2062 62.0357 35.0675 172.3423 35 E 5.7521 8.0917 122.4114 55.2254 33.5399 174.9434 36 T 4.0872 8.9234 116.6989 64.3521 72.3270 173.8144 37 S 3.6479 9.5564 117.1540 59.6028 62.7597 171.9491 38 G 3.9120 8.0131 106.5381 47.7619 0.0000 173.5813 39 I 5.1900 8.1000 118.2221 59.6674 42.0923 176.8277 40 S 5.4437 9.0957 120.9387 56.2649 66.6478 172.8705 41 I 4.8737 8.2349 126.4442 60.2298 38.8995 174.9544 42 Y 5.3098 9.1694 124.7458 56.5374 41.5226 174.7468 43 R 5.3496 9.6789 116.6646 55.1078 33.8039 173.5431 44 L 4.4997 8.1131 121.4094 52.9505 44.7749 175.3085 45 L 3.5770 8.3158 128.2583 53.8610 43.2078 176.2866 46 D 4.7569 7.0635 123.4341 55.8004 40.4719 178.2812 47 K 4.8242 6.8410 120.0518 58.8531 33.2720 178.0129 48 K 4.1524 7.9214 117.9013 58.3985 32.1922 177.5428 49 T 4.4081 8.4255 106.0929 60.3354 69.8827 175.2508 50 G 3.9394 8.2128 109.7576 45.5894 0.0000 173.9009 51 L 4.4108 7.4714 120.0200 55.0540 42.7557 175.8786 52 Y 5.1973 8.8856 119.2933 56.4732 41.0035 174.7563 53 E 5.4402 8.7665 120.3097 55.1472 33.2347 174.8221 54 Y 5.6527 9.4366 119.4609 56.5984 42.7748 174.6622 55 K 4.6803 9.0418 119.0424 54.9388 37.0610 175.5591 56 V 4.7647 7.6609 123.0814 61.2110 34.9891 174.0817 57 F 5.7711 8.5950 123.0619 55.7678 43.9842 175.2920 58 G 3.9988 7.8735 106.9041 45.0545 0.0000 171.8990 59 V 4.9153 8.2369 120.7708 61.5057 35.1987 176.9885 60 L 4.8504 8.8729 126.6807 52.3805 42.6511 175.7986 61 E 4.4200 8.3532 120.5140 57.1455 30.7245 177.2877 62 D 4.7211 9.0224 120.1727 54.6119 39.2186 175.0667 63 C 4.5676 7.4836 117.1331 56.7779 30.2111 173.0738 64 S 4.3010 8.5354 120.5194 57.5103 64.3053 172.6329 65 P 4.2323 0.0000 0.0000 66.4806 31.0960 178.5764 66 T 3.7012 8.0124 110.9168 64.9226 67.3051 175.7823 67 L 4.0469 7.7195 121.7822 57.9922 42.3316 178.1267 68 L 3.9098 8.5156 120.4455 58.4413 41.7491 178.8369 69 A 4.0649 8.1793 119.4198 55.4168 18.3195 179.0762 70 D 4.5545 7.6698 116.6972 57.2982 40.9444 178.7857 71 I 3.9497 7.5212 119.8244 64.2253 37.1849 177.9782 72 Y 4.0980 7.8805 116.9625 57.8587 40.2393 176.2287 *74 D 4.5193 7.8631 118.3969 53.3223 41.5638 175.5266 75 S 4.0152 8.4287 121.1124 61.3278 63.0288 175.4757 76 D 4.4203 8.3151 120.7892 57.9513 40.6701 178.5553 77 Y 4.4304 8.3604 119.3340 60.5878 38.7907 177.5645 78 R 2.9650 8.5057 120.0364 59.1493 29.9035 178.4926 79 K 3.5535 8.1012 117.2228 59.5767 32.1007 178.8286 80 Q 4.0958 7.5502 118.9608 57.8139 29.0314 176.5451 81 W 4.5988 7.2129 115.0318 56.5410 30.4101 175.4961 82 D 4.3269 7.2602 120.8196 53.7154 40.6703 176.1287 83 Q 4.1682 8.7638 123.6868 56.8793 29.2673 175.4488 84 Y 4.5309 8.3413 116.1419 58.0785 39.6106 175.1823 85 V 3.9609 7.2566 120.4930 62.3226 31.4292 175.3876 86 K 4.2976 8.9667 130.3682 58.4555 33.3469 176.6133 87 E 4.6954 7.7023 118.6962 55.0620 33.2477 174.1093 88 L 5.1491 8.6443 128.9404 54.3801 44.5770 173.8363 89 Y 5.0415 8.4407 123.4535 55.7391 41.8540 173.4659 90 E 5.2967 8.7662 118.8097 54.9931 33.0654 175.1619 91 Q 4.6995 8.6448 118.2044 55.3224 32.5355 172.9669 92 E 4.8094 8.6741 119.9487 55.8624 30.8469 176.2506 93 C 4.5018 9.6688 124.5601 58.7262 33.6910 174.3373 94 N 4.5478 8.7113 127.3814 53.8283 35.1364 176.9000 95 G 3.7269 8.7575 111.0431 49.3424 0.0000 173.7072 96 E 4.1883 8.0522 118.5774 56.6821 29.9101 175.2815 97 T 4.8773 8.3355 116.8228 62.0886 71.0534 173.7400 98 V 4.6339 9.2237 127.0372 61.0739 34.3429 174.3993 99 V 4.5797 8.3114 127.5591 61.2050 34.4692 173.6192 100 Y 4.8959 8.2374 127.0603 55.4000 41.4323 173.9828 101 W 4.9235 8.4886 135.0000 55.4724 34.1303 173.1667 102 E 4.9826 9.3748 129.7921 54.7561 31.1265 174.4873 103 V 4.9730 9.4134 128.4082 61.5458 33.4602 175.1022 104 K 4.8731 9.5470 128.4687 56.7696 32.5339 176.0783 105 Y 4.5835 8.7077 121.5776 55.0781 41.1849 173.9931 106 P 4.2124 0.0000 0.0000 62.7953 31.7931 176.2864 107 F 4.0184 8.7901 125.7643 57.1273 39.9187 172.3459 108 P 2.9700 0.0000 0.0000 62.4442 30.4863 175.7799 *110 S 4.1541 8.1400 116.7055 57.5037 63.8206 174.8798 111 N 4.8443 8.2432 118.4375 53.8156 39.9083 173.2892 112 R 4.8924 8.6059 117.0543 55.2711 34.7283 174.3630 113 D 5.6576 9.0454 122.8739 51.8231 42.9120 174.4842 114 Y 4.9843 8.9753 117.2336 56.2393 41.8281 174.7259 115 V 4.9918 8.1710 121.5348 61.5444 35.0256 173.7275 116 Y 4.8686 8.2044 123.8526 56.7080 41.9877 172.5867 117 L 5.1024 9.6031 121.3491 53.7511 43.6063 176.0586 118 R 5.5142 8.4189 122.5779 54.8865 33.4600 174.2273 119 Q 4.6900 9.6452 126.8286 54.7130 32.9558 173.0455 120 R 5.1860 8.9866 126.9355 55.0232 31.7655 174.8588 121 R 4.5130 9.4849 126.4162 54.7024 32.9302 175.6276 122 D 5.0732 8.4571 123.2389 52.7989 40.6032 176.1971 123 L 4.1789 8.8364 123.9334 54.5494 43.4206 175.5690 124 D 5.5664 8.2906 119.5767 51.0989 45.3196 175.9518 *126 E 4.3771 8.3113 116.3124 56.6284 30.6292 178.0590 127 G 3.9251 7.9660 104.8159 45.9532 0.0000 174.0754 128 R 4.1992 7.8252 121.2212 55.2373 30.8380 174.9292 129 K 4.7496 8.5495 124.9718 55.3604 33.2149 175.8381 130 I 4.6613 8.5365 127.1074 59.7131 40.0536 174.5770 131 H 4.9571 9.1703 125.3534 54.8607 30.1600 174.5834 132 V 4.9339 9.1879 123.5096 61.1910 34.9673 174.3122 133 I 5.2397 8.3943 126.0620 59.7700 41.6971 174.2602 134 L 4.9744 8.5726 123.2179 53.2657 46.3937 175.2167 135 A 5.9400 8.5884 121.2499 51.2089 22.9870 175.3383 136 R 4.7369 8.5177 113.6463 55.0480 32.4925 174.3507 137 S 4.7846 8.6709 117.3341 59.1941 63.3910 173.7170 138 T 4.7319 8.4819 116.6704 61.3445 70.3047 173.2678 139 S 4.9805 8.2229 120.8774 56.4122 64.6247 171.1623 *141 P 4.4845 0.0000 0.0000 63.2991 32.9831 178.7914 142 Q 4.1402 8.1897 115.4319 58.0465 28.8283 176.5210 143 L 4.3809 7.0308 117.7218 53.2337 40.7977 175.7192 144 G 3.9852 7.7431 112.3132 43.4399 0.0000 170.6537 145 E 4.1579 8.4331 118.2725 56.3328 29.7971 176.8529 146 R 4.6020 8.2219 120.3034 54.6244 32.1215 175.9718 147 S 4.4354 8.4305 117.9880 59.4047 63.6947 174.0040 148 G 4.0591 9.1290 112.9154 44.6312 0.0000 173.3457 149 V 4.3902 6.9034 116.8728 61.0648 34.0821 175.4113 150 I 4.1986 7.7091 126.8157 59.5396 38.5329 175.1040 151 R 4.9258 8.3943 128.7176 55.8149 30.5569 176.1884 152 V 3.6997 8.3397 128.5363 62.0932 30.8296 175.8423 153 K 4.1786 8.6431 128.0493 57.3957 32.9393 176.8662 154 Q 4.7437 7.8215 118.0707 54.3497 31.3620 174.0792 155 Y 5.4843 8.5437 123.7757 56.3536 43.1450 173.5909 156 K 4.5733 8.6821 125.0583 55.7672 36.6126 174.5879 157 Q 5.2999 8.3971 123.8666 54.4739 33.3398 172.9913 158 S 4.8271 7.8934 113.1396 57.3692 65.3690 174.2914 159 L 4.9094 8.4156 123.2092 53.4504 46.0969 175.0225 160 A 5.0850 9.2175 125.1937 50.7207 22.7044 175.0558 161 I 4.9870 8.9002 123.8261 59.7964 40.5146 174.8759 162 E 5.0335 9.1866 124.6079 54.8864 34.6988 174.2948 163 S 4.8667 8.5478 115.0740 57.7360 63.2045 173.4107 164 D 4.5551 9.0043 125.5182 53.8703 39.3462 177.0802 165 G 4.1620 8.2327 109.1136 45.1905 0.0000 174.6260 166 K 4.2972 9.5831 115.3410 56.4763 31.2935 177.0703 167 K 4.5470 9.3534 128.2536 57.0970 33.8446 175.5845 168 G 4.8529 7.9872 108.1672 45.2970 0.0000 171.8862 169 S 5.3968 8.4987 113.1331 56.5870 66.9475 172.8453 170 K 4.9812 8.9971 122.8843 55.1836 33.9585 175.5715 171 V 5.7205 8.7854 119.0206 58.9470 36.6163 173.9674 172 F 5.8508 8.2306 123.1251 56.6747 44.0290 172.0384 *174 Y 4.6238 8.2402 120.4754 57.4459 39.9932 172.7121 175 Y 4.5397 8.1665 127.6321 55.5655 42.1640 174.0307 176 F 5.2099 7.9558 127.6856 57.1381 43.3185 172.4457 177 D 4.6486 7.2016 123.2021 52.5173 42.0786 174.7609 178 N 4.5364 8.4128 119.9758 51.2168 38.3881 172.3670 179 P 4.1078 0.0000 0.0000 63.8498 31.6207 177.2843 180 G 3.7361 8.3721 105.1074 44.8601 0.0000 173.5363 181 G 4.1278 7.4920 109.5369 44.7345 0.0000 173.4151 182 Q 4.1003 8.3335 119.1516 55.7527 29.2977 176.2498 183 I 4.3124 7.9491 121.6151 58.5918 39.1234 174.0928 184 P 4.2716 0.0000 0.0000 62.2230 32.0036 177.4425 185 S 4.1931 8.9758 118.0655 61.7411 62.4709 177.0574 186 W 4.6090 8.1536 119.3289 59.1228 27.8734 177.8403 187 L 3.7624 7.3857 121.6925 57.4333 41.3450 178.9278 188 I 3.6437 7.3400 119.5656 64.1576 37.1922 177.4797 189 N 4.2734 8.6961 118.3015 56.6496 38.7289 176.5608 190 W 4.2431 8.7560 129.8235 60.3582 30.6493 177.8654 191 A 2.8557 8.2347 120.4535 54.8084 17.7776 179.5714 192 A 3.6756 8.1503 118.1130 54.6491 18.4036 179.5289 193 K 4.0830 7.7054 116.1434 58.3012 32.9143 176.9932 194 N 4.7023 8.0243 114.6366 55.4439 40.6944 175.9099 195 G 2.7022 6.1565 105.0879 48.2176 0.0000 175.1313 196 V 3.4826 8.2229 119.8961 64.9515 31.7970 176.3280 197 P 4.1486 0.0000 0.0000 66.4315 31.1633 178.1922 198 N 4.4346 8.4156 114.7007 56.0756 38.2081 177.3060 199 F 4.2484 7.8382 121.4235 61.2981 39.7026 176.5773 200 L 3.8616 8.3330 118.4102 58.4728 41.7326 178.8612 201 K 3.9061 8.1313 119.5958 58.4204 31.7918 177.4010 202 D 3.8574 8.5958 117.9287 55.5399 42.2676 178.8058 *204 A 4.0754 7.9449 124.0949 52.1818 20.6237 179.6068 205 R 3.7499 7.6909 115.2351 59.7329 29.9193 178.5037 206 A 3.7983 7.1943 120.3397 55.0042 17.8891 179.4211 207 C 4.0050 7.4896 113.8785 63.3233 28.3950 175.2824 208 Q 4.0128 7.9472 119.5309 59.7287 28.6264 177.9287 209 N 4.4219 8.6395 118.2969 56.3909 38.7879 175.0782 210 Y 4.5778 8.2728 124.9341 58.2697 39.0335 175.7840 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 8 F 8.31 5.46 0.00 3.23 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 S 9.86 4.46 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 10 E 9.07 4.08 0.00 2.19 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 0.00 2.58 2.38 0.00 11 E 8.48 4.25 0.00 2.20 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 0.00 2.71 2.50 0.00 12 Q 8.15 4.28 0.00 2.22 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.57 0.00 0.00 0.00 0.00 0.00 2.40 2.33 0.00 13 F 7.81 3.86 0.00 2.99 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 14 W 8.02 4.26 0.00 3.50 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 15 E 8.45 4.22 0.00 2.32 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 2.28 2.42 0.00 16 A 7.79 4.22 1.37 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 0.00 0.00 17 C 8.33 4.03 0.00 3.30 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 18 A 9.20 4.04 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 19 E 8.10 4.49 0.00 1.16 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 0.00 0.00 0.00 2.09 1.95 0.00 20 L 7.11 3.94 0.00 1.79 1.97 1.14 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 21 Q 7.80 4.09 0.00 2.28 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.36 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 22 Q 7.43 4.34 0.00 2.16 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.23 6.96 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 23 P 0.00 4.24 0.00 1.54 0.69 0.00 3.40 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.12 0.00 24 A 8.32 4.48 1.14 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 0.00 0.00 25 L 7.74 4.55 0.00 1.46 1.49 0.06 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.18 4.11 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 27 G 8.19 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 A 7.53 4.83 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 D 8.30 4.67 0.00 2.61 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.38 4.34 0.00 3.34 3.36 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 31 Q 9.60 4.93 0.00 2.05 2.08 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 2.38 2.69 0.00 32 L 8.62 3.92 0.00 1.51 1.53 0.08 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.07 4.70 0.00 1.58 1.75 0.88 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 34 V 7.41 4.50 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 0.78 0.00 0.00 0.89 0.00 0.00 35 E 8.09 5.75 0.00 1.81 1.77 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 2.18 2.13 0.00 36 T 8.92 4.09 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 37 S 9.56 3.65 0.00 4.04 4.19 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 38 G 8.01 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 0.00 0.00 0.00 39 I 8.10 5.19 2.06 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 1.25 0.98 0.93 0.00 0.00 40 S 9.10 5.44 0.00 4.14 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 41 I 8.23 4.87 1.86 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.34 1.04 0.00 0.00 42 Y 9.17 5.31 0.00 3.20 3.32 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 43 R 9.68 5.35 0.00 1.39 1.58 0.00 2.21 0.00 0.00 2.94 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.63 0.00 44 L 8.11 4.50 0.00 0.27 0.26 0.49 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 45 L 8.32 3.58 0.00 1.24 1.30 0.26 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 46 D 7.06 4.76 0.00 2.60 2.56 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 47 K 6.84 4.82 0.00 1.73 1.75 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.42 7.81 48 K 7.92 4.15 0.00 1.71 1.84 0.00 1.68 0.00 0.00 1.73 0.00 0.00 3.09 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.33 7.81 49 T 8.43 4.41 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 50 G 8.21 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 51 L 7.47 4.41 0.00 1.80 1.85 1.09 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 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0.00 1.61 1.67 0.00 2.62 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.25 0.00 113 D 9.05 5.66 0.00 2.74 2.86 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 0.00 114 Y 8.98 4.98 0.00 2.94 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 V 8.17 4.99 2.28 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 1.15 0.00 0.00 1.12 0.00 0.00 116 Y 8.20 4.87 0.00 3.41 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 0.00 117 L 9.60 5.10 0.00 1.49 1.50 0.80 0.89 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 0.00 118 R 8.42 5.51 0.00 2.09 1.98 0.00 3.53 0.00 0.00 3.61 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.78 0.00 119 Q 9.65 4.69 0.00 2.69 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.53 0.00 0.00 0.00 0.00 0.00 2.48 2.56 0.00 120 R 8.99 5.19 0.00 1.96 1.92 0.00 3.36 0.00 0.00 3.31 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.84 0.00 121 R 9.48 4.51 0.00 0.84 1.27 0.00 2.21 0.00 0.00 2.67 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.06 0.00 122 D 8.46 5.07 0.00 2.55 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 0.00 123 L 8.84 4.18 0.00 1.56 1.34 0.40 0.64 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 0.00 124 D 8.29 5.57 0.00 2.58 2.59 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 *126 E 8.31 4.38 0.00 2.09 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 2.30 2.36 0.00 127 G 7.97 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 128 R 7.83 4.20 0.00 2.02 1.84 0.00 3.20 0.00 0.00 3.19 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 129 K 8.55 4.75 0.00 1.64 1.67 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.58 1.45 7.81 130 I 8.54 4.66 1.85 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 1.25 0.87 0.99 0.00 0.00 131 H 9.17 4.96 0.00 3.08 3.21 0.00 5.55 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 V 9.19 4.93 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 1.07 0.00 0.00 0.94 0.00 0.00 133 I 8.39 5.24 1.76 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 1.29 0.47 1.09 0.00 0.00 134 L 8.57 4.97 0.00 0.27 0.58 -0.71 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 135 A 8.59 5.94 1.19 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 0.00 0.00 136 R 8.52 4.74 0.00 1.84 2.08 0.00 2.95 0.00 0.00 3.36 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.57 0.00 137 S 8.67 4.78 0.00 3.90 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 0.00 138 T 8.48 4.73 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 1.25 0.00 0.00 139 S 8.22 4.98 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 *141 P 0.00 4.48 0.00 2.22 2.17 0.00 3.60 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.11 0.00 142 Q 8.19 4.14 0.00 2.02 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 7.23 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 143 L 7.03 4.38 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 1.57 0.00 0.00 0.00 0.00 0.00 0.00 144 G 7.74 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 0.00 145 E 8.43 4.16 0.00 1.96 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 2.31 2.32 0.00 146 R 8.22 4.60 0.00 1.89 1.84 0.00 3.15 0.00 0.00 3.60 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 147 S 8.43 4.44 0.00 3.86 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 0.00 148 G 9.13 4.06 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 0.00 0.00 0.00 149 V 6.90 4.39 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 0.98 0.00 0.00 1.03 0.00 0.00 150 I 7.71 4.20 1.65 0.00 0.00 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 1.00 0.42 0.75 0.00 0.00 151 R 8.39 4.93 0.00 1.78 1.81 0.00 3.12 0.00 0.00 3.90 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.49 0.00 152 V 8.34 3.70 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 0.00 0.00 0.62 0.00 0.00 -0.12 0.00 0.00 153 K 8.64 4.18 0.00 1.77 1.85 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.56 7.81 154 Q 7.82 4.74 0.00 2.08 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 155 Y 8.54 5.48 0.00 3.11 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 0.00 156 K 8.68 4.57 0.00 1.72 1.79 0.00 1.40 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.50 1.60 7.81 157 Q 8.40 5.30 0.00 1.36 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.78 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 158 S 7.89 4.83 0.00 3.69 3.65 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 0.00 159 L 8.42 4.91 0.00 1.40 1.15 0.77 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 160 A 9.22 5.08 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 0.00 161 I 8.90 4.99 1.96 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 1.36 1.09 0.96 0.00 0.00 162 E 9.19 5.03 0.00 2.01 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 2.24 2.28 0.00 163 S 8.55 4.87 0.00 3.85 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 0.00 164 D 9.00 4.56 0.00 2.80 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 G 8.23 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 0.00 166 K 9.58 4.30 0.00 2.02 1.19 0.00 1.66 0.00 0.00 1.76 0.00 0.00 2.86 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.38 1.35 7.81 167 K 9.35 4.55 0.00 1.90 1.99 0.00 1.66 0.00 0.00 1.83 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.48 7.81 168 G 7.99 4.85 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 0.00 169 S 8.50 5.40 0.00 3.86 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 0.00 170 K 9.00 4.98 0.00 1.84 1.74 0.00 1.60 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.45 7.81 171 V 8.79 5.72 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 0.90 0.00 0.00 0.97 0.00 0.00 172 F 8.23 5.85 0.00 3.17 2.93 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 0.00 0.00 0.00 *174 Y 8.24 4.62 0.00 3.14 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 Y 8.17 4.54 0.00 2.88 2.56 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 0.00 176 F 7.96 5.21 0.00 3.17 2.86 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 0.00 177 D 7.20 4.65 0.00 2.92 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 0.00 178 N 8.41 4.54 0.00 2.77 2.76 0.00 0.00 7.13 6.98 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 0.00 179 P 0.00 4.11 0.00 2.21 2.12 0.00 3.75 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 180 G 8.37 3.74 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 0.00 0.00 0.00 181 G 7.49 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 0.00 182 Q 8.33 4.10 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.70 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 183 I 7.95 4.31 1.84 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 1.41 0.47 0.74 0.00 0.00 184 P 0.00 4.27 0.00 1.09 1.87 0.00 3.23 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 185 S 8.98 4.19 0.00 4.09 4.19 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 0.00 186 W 8.15 4.61 0.00 3.57 3.44 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 0.00 187 L 7.39 3.76 0.00 0.27 1.15 0.46 0.65 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 0.00 188 I 7.34 3.64 1.93 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 1.54 0.47 0.82 0.00 0.00 189 N 8.70 4.27 0.00 2.79 3.17 0.00 0.00 6.89 7.93 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 0.00 190 W 8.76 4.24 0.00 3.72 3.61 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 0.00 191 A 8.23 2.86 1.28 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 0.00 0.00 192 A 8.15 3.68 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 0.00 193 K 7.71 4.08 0.00 1.81 1.82 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.69 7.81 194 N 8.02 4.70 0.00 2.55 2.22 0.00 0.00 7.10 8.42 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 0.00 195 G 6.16 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 V 8.22 3.48 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 1.05 0.00 0.00 0.70 0.00 0.00 197 P 0.00 4.15 0.00 2.26 2.05 0.00 3.44 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 2.11 2.13 0.00 198 N 8.42 4.43 0.00 2.88 2.95 0.00 0.00 6.80 7.53 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 0.00 199 F 7.84 4.25 0.00 3.22 3.32 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 0.00 200 L 8.33 3.86 0.00 1.74 1.72 0.95 0.93 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 0.00 201 K 8.13 3.91 0.00 1.96 1.84 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.44 7.81 202 D 8.60 3.86 0.00 2.79 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 *204 A 7.94 4.08 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 0.00 205 R 7.69 3.75 0.00 1.84 1.95 0.00 3.10 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 206 A 7.19 3.80 0.08 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 0.00 207 C 7.49 4.00 0.00 3.09 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 0.00 208 Q 7.95 4.01 0.00 2.01 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.93 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 209 N 8.64 4.42 0.00 2.92 3.00 0.00 0.00 7.10 7.10 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 0.00 210 Y 8.27 4.58 0.00 2.98 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.