NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 L 4.2073 8.1844 120.7671 54.1429 41.4957 175.6239 5 V 3.9207 8.0550 125.6715 59.5626 32.1871 174.0941 6 P 4.4280 0.0000 0.0000 62.0826 34.6318 174.3145 *8 V 4.0048 8.2678 120.1884 63.7915 32.8555 175.5484 9 V 4.8692 8.4943 127.9217 61.3499 33.2151 174.3102 10 E 4.7227 9.1544 128.0656 54.5966 31.6902 175.4988 11 Q 4.3916 8.7762 124.3153 56.1812 29.6018 175.1411 12 T 4.2251 8.5093 119.0294 65.1120 70.0111 174.7478 *16 E 4.3924 7.8760 120.9874 56.8120 30.8160 176.0008 17 R 4.7797 8.8407 121.4011 54.9149 33.7533 173.9737 18 A 5.1654 8.4783 124.0808 49.8266 21.0455 175.1587 19 Y 4.8269 8.9993 121.1263 55.8813 40.9313 176.0162 20 D 4.7059 8.6719 122.2704 52.7749 40.9568 177.0834 21 I 3.5282 8.1622 120.0955 64.6738 37.9059 177.7910 22 Y 4.2271 7.5394 116.8530 61.3430 37.4818 178.7871 23 S 4.3090 8.0256 115.2864 61.3329 63.0602 176.3676 24 R 3.6133 8.1335 121.7447 59.2787 29.8720 178.5610 25 L 4.1037 8.0682 118.3827 57.1530 41.4931 179.1012 26 L 4.3414 7.7521 121.6790 57.2512 41.7886 178.6346 27 K 4.1003 7.7351 118.7419 58.4775 30.6774 177.4010 28 D 4.7872 7.9013 118.0846 53.3169 41.0034 176.6523 29 R 4.0603 8.1558 117.8071 57.2838 28.1912 175.2677 30 V 4.5213 7.1496 117.0976 61.3233 33.4222 174.3239 31 I 4.7196 8.7303 128.9446 59.6241 39.9468 174.4016 32 F 4.9296 8.8955 124.5869 55.7853 40.9450 175.0722 33 L 4.6393 9.0529 126.5499 53.5131 43.4045 175.2924 34 V 4.9743 7.3524 117.8821 59.3843 36.1122 177.0636 35 G 3.8559 8.6730 110.0789 44.8019 0.0000 172.6644 36 Q 4.3098 8.4682 118.0369 55.8185 29.5711 176.6040 37 V 3.9425 8.9264 125.4595 62.9145 32.4510 174.7174 38 E 5.0088 8.5259 124.7465 55.0322 32.7056 174.8913 39 D 4.4628 8.9265 118.9695 57.9994 40.7452 178.6630 40 H 4.1451 9.1157 115.1724 57.1447 29.5358 176.3379 *42 A 4.3175 8.0850 122.0862 52.0891 20.2939 179.5632 43 N 4.3520 8.1099 113.1067 56.3036 38.4093 177.7740 44 L 3.9578 7.6636 120.0127 57.5166 41.4750 179.2462 45 A 3.9951 7.8629 119.2635 55.2808 18.4935 179.2235 46 I 3.8149 7.8971 117.1681 64.5211 37.4229 178.1996 47 A 4.2572 8.1995 121.6020 55.0734 18.1698 180.3244 48 Q 4.4124 8.0207 114.7388 56.4614 28.4337 178.5719 *50 L 4.3168 7.9110 122.0348 54.9803 43.9708 179.0612 51 F 4.1805 8.5487 120.1233 61.5056 39.3527 177.0327 52 L 3.6334 8.5560 118.8803 57.8044 41.1639 179.3134 53 E 3.8473 7.4768 118.0500 59.1713 29.6181 178.5242 54 S 4.1585 7.6378 112.3328 61.3193 62.5308 175.7108 55 E 4.1573 7.5126 119.6703 57.9539 29.3526 177.0377 56 N 4.5776 7.4946 118.0338 52.2028 41.0662 171.9219 57 P 4.5617 0.0000 0.0000 63.2392 31.8936 176.1489 58 N 4.8301 8.1017 116.0692 53.7813 40.7810 175.2135 59 K 4.3096 7.9289 116.7940 55.5765 33.0078 176.9031 60 D 4.6517 8.7744 123.3199 55.4415 41.6355 176.0720 61 I 4.3788 8.5347 122.7397 60.1504 39.5828 174.3209 62 N 5.3445 9.0640 124.1157 51.4827 41.0331 173.4411 63 L 4.9756 9.4087 127.0411 53.6455 44.2077 174.5638 64 Y 5.0041 8.7321 125.9961 57.0418 39.5905 174.8119 65 I 4.8163 8.9138 126.0038 59.6168 40.0061 174.8733 66 N 5.4078 9.1877 125.4321 51.7662 39.8061 170.8385 67 S 4.8869 9.4909 115.9505 55.5117 65.5598 172.0379 68 P 4.5814 0.0000 0.0000 62.1028 32.0065 175.2149 69 G 3.8316 7.4298 107.6593 45.2126 0.0000 171.5525 70 G 4.2002 8.6486 104.5638 43.2966 0.0000 173.0743 71 A 4.4184 8.3524 122.6798 50.6925 19.5803 178.9744 72 V 3.6415 8.5629 123.1976 66.0817 31.8468 177.3752 73 T 4.0378 7.9205 108.8552 64.7048 68.7682 175.6021 74 S 4.2419 8.1713 117.7788 61.2456 63.3539 176.9567 75 A 4.3808 7.7558 124.5539 51.6396 17.4387 179.3362 *77 A 4.3163 8.1963 124.4058 53.7844 20.7426 180.0956 78 I 3.7185 7.3484 115.4406 64.7523 37.2109 177.5500 79 Y 4.2016 8.3150 119.3195 61.0492 38.8679 177.8017 80 D 4.5076 8.1964 119.1830 57.2559 40.9752 179.3767 81 T 4.1138 7.9609 115.4910 63.9269 68.3227 176.1183 *83 Q 4.1262 8.1004 121.4298 55.7702 30.9229 176.7681 84 F 4.4409 8.1924 119.4946 60.8321 39.6643 176.5721 85 V 3.7577 7.6104 112.4372 60.7351 32.0037 176.4167 86 K 3.9751 8.6341 124.3905 58.9537 32.2577 176.2623 87 P 4.4442 0.0000 0.0000 62.2577 32.2440 176.3719 88 D 4.3982 8.7344 122.9890 54.7549 42.2069 175.4094 89 V 4.6400 8.3403 123.1924 61.3506 33.2515 174.3478 90 R 4.7796 9.1054 130.5734 55.9678 31.2235 174.9603 91 T 5.1507 8.8937 116.7275 59.8464 71.7503 172.8667 92 L 4.9549 8.8760 126.4935 53.3962 45.2414 174.5517 93 C 4.9144 9.0058 127.9973 58.2645 31.7453 173.9411 94 I 3.3809 8.3845 121.9811 63.7169 37.5054 176.3419 95 G 4.0899 8.3529 107.6597 45.6070 0.0000 171.6254 96 Q 5.2349 9.3309 118.0609 53.3169 32.9444 174.7543 97 A 4.8459 9.2252 123.9349 49.5844 21.1612 176.2837 98 A 4.1765 8.8785 124.5382 51.7413 21.1711 176.9083 99 S 3.8563 8.4588 111.6112 61.8861 61.7990 176.2572 100 A 4.0304 8.0354 122.6402 55.4158 18.0753 179.3436 101 G 3.7399 8.1962 102.8704 48.2517 0.0000 175.3697 102 A 4.0687 8.6124 123.3005 54.4358 18.3469 179.4117 103 L 3.8375 7.9205 119.0676 58.4428 41.9457 179.3714 104 L 4.0817 7.3979 116.9404 57.5309 41.7437 178.6676 105 L 4.0689 8.3162 120.5915 58.4809 41.8102 179.1079 106 A 4.6463 7.6811 120.1988 53.7248 18.3437 178.6941 107 G 3.9584 7.6116 102.9021 44.0873 0.0000 174.0854 108 G 3.9543 7.1281 108.1356 45.1404 0.0000 173.7993 109 A 4.1723 8.7087 122.1833 52.1304 19.4776 177.4333 110 K 3.8667 8.7550 120.3404 58.5567 32.2066 177.6019 111 G 4.0305 9.6305 112.9446 45.3118 0.0000 173.4222 112 K 4.7691 8.1690 119.4273 56.2041 33.8321 175.4916 113 R 4.9365 8.1115 119.0139 53.9289 32.8546 175.0706 114 H 5.7002 9.3600 119.8654 54.0691 34.1020 171.8128 115 C 5.1535 7.9174 113.3346 56.2569 33.8481 172.9064 116 L 4.9336 8.0438 119.8288 52.8224 43.0777 176.5713 117 P 4.2200 0.0000 0.0000 65.3281 31.3176 177.4812 118 H 4.8323 7.8969 112.6643 55.4023 29.1115 174.3642 119 S 4.6025 7.6083 115.7048 58.9491 63.8609 173.8025 120 S 4.6140 9.0711 115.7793 56.8449 65.1978 173.3197 121 V 5.0465 8.2964 125.3379 60.1185 35.0669 173.9567 *123 I 4.2015 7.9965 114.9917 61.3020 38.9024 174.1056 124 H 5.2630 8.0748 117.3078 54.5036 31.0080 172.9361 125 Q 4.3226 8.8723 118.7342 55.7834 29.3880 176.5601 126 V 3.8058 8.3065 113.0436 61.5572 32.1985 175.9164 127 L 4.8089 7.9363 122.3657 53.5001 44.3586 177.0675 128 G 3.9999 7.2767 107.8809 47.4115 0.0000 172.8963 129 G 4.3369 8.0266 113.2091 45.9070 0.0000 170.4827 130 Y 4.7319 7.6899 119.6272 56.4834 41.7962 173.7351 131 Q 4.3125 6.5680 123.1573 53.1990 32.5220 175.2820 132 G 3.7677 8.1987 111.4690 45.3889 0.0000 172.5649 133 Q 4.3109 8.3404 120.3566 55.4884 30.8272 177.0031 134 G 3.8162 8.7825 110.1211 48.6775 0.0000 175.8715 135 T 3.9029 8.0281 117.5548 66.7344 68.4189 176.1013 136 D 4.3625 7.9895 119.9331 56.9688 41.0283 178.6813 137 I 3.7681 8.0592 120.6475 64.4066 37.1271 178.3854 138 Q 3.9530 8.1959 118.7827 58.9782 28.7057 178.7106 139 I 3.6085 7.5061 120.5690 65.0446 37.2226 178.3035 140 H 4.0000 8.1519 116.4842 58.6025 28.4300 177.8140 141 A 4.0331 8.5481 123.1380 54.9757 18.1422 179.8691 142 K 3.9158 8.1418 117.1494 59.6538 32.0392 179.3861 143 Q 3.9401 7.9397 119.4447 59.3577 28.8387 178.4292 144 T 3.8482 8.0388 116.9689 66.4766 68.3807 176.3454 145 Q 3.9265 8.0998 121.5254 59.0987 28.9932 178.2587 146 R 3.8224 8.0521 119.6131 59.5835 30.1906 178.3809 147 V 3.7893 7.9157 119.4633 65.4155 31.5405 177.8509 148 S 4.0691 8.4105 112.9623 61.5766 62.1756 175.8559 149 D 4.3632 8.3611 121.8017 57.5146 40.6430 178.8401 150 Q 3.9515 8.2835 118.6834 58.7585 28.6712 178.6210 151 L 3.9511 7.9446 121.2774 58.2243 42.0955 178.7661 152 N 4.3088 7.9903 116.0317 56.5367 38.4730 177.4289 153 Q 3.9804 8.4021 119.7220 58.9480 28.8626 179.0541 154 I 3.7240 7.7755 120.8947 64.2750 37.1920 178.4689 155 L 4.0463 8.0878 119.7328 57.5245 41.3197 179.5084 156 A 3.9692 8.2372 120.9149 54.9880 18.1682 179.2288 157 K 3.7109 7.8157 116.8723 60.3132 32.2902 178.0845 158 H 4.5264 8.0328 113.5563 57.5279 28.9527 176.8643 159 T 4.6957 7.3640 111.7594 60.9094 69.5154 175.9477 160 G 3.9474 8.3315 109.7833 44.9265 0.0000 174.0342 161 K 4.0709 7.3079 118.5444 55.9105 32.8481 177.2660 162 D 4.5013 8.3103 121.1457 54.1343 42.6697 177.6617 163 I 3.6924 8.3827 123.9267 64.9717 37.2897 178.6481 164 E 3.9351 8.1169 118.5806 59.1252 29.2674 179.3329 165 R 3.8415 7.7418 118.5199 59.3194 30.3295 178.4354 166 V 3.6181 7.7818 118.0906 66.1013 31.2905 177.5469 167 E 3.9133 8.1765 118.0340 59.1686 29.8464 178.4181 168 K 4.0556 7.9668 119.4789 59.5295 32.0314 178.5737 169 D 4.1149 7.7665 118.6170 56.5607 40.9906 177.8304 170 T 4.2331 7.7635 108.3545 61.9739 68.9941 175.9823 171 N 4.2907 7.4812 119.9016 55.5897 39.1616 174.3729 172 R 4.7342 7.0082 115.7226 53.5337 34.2304 174.2837 173 D 4.4609 8.7170 118.4588 55.8054 41.3040 176.2816 174 Y 4.6755 8.3060 123.6489 55.7063 40.3537 174.3170 175 F 4.5129 8.6693 124.7459 56.7854 40.5391 175.0708 176 L 4.9259 8.6226 122.7726 52.7915 44.8789 176.8581 177 T 4.2349 8.9667 113.6255 60.5180 69.9809 173.6534 178 P 4.1886 0.0000 0.0000 65.9900 31.1906 178.8049 179 E 4.0014 8.1041 116.6979 59.5177 29.4258 179.1423 180 E 4.0807 8.4398 118.3835 59.0635 29.4725 179.2307 181 A 4.0943 8.2149 121.4578 54.9140 18.4111 179.8532 182 V 3.7972 7.8321 118.1186 65.7820 31.4684 177.9500 183 E 3.9898 7.9973 117.6115 59.4342 29.4934 177.8256 184 Y 4.1253 8.3483 119.5219 58.7556 39.0281 176.3782 185 G 4.0865 7.9806 106.9459 45.1168 0.0000 175.2055 186 L 4.0539 8.5037 121.7480 56.7351 41.7483 176.8741 187 I 4.8518 7.4617 109.7189 59.1182 40.6773 174.9607 188 D 4.7148 8.5166 120.0345 55.8783 42.2662 176.8535 189 S 4.5647 7.4342 110.5549 57.7702 66.2584 173.9205 190 I 4.7249 8.2221 120.7057 59.5080 39.3004 175.2599 191 F 4.8355 8.1392 125.8447 56.2455 39.4000 175.8143 192 K 4.0243 9.2185 126.4688 58.3782 32.5467 176.6197 193 E 4.6984 7.5379 116.2255 53.5420 32.6739 175.7377 194 R 3.6726 8.3102 120.3837 55.9961 30.4242 174.3835 195 P 4.2495 0.0000 0.0000 62.9685 31.4194 175.9872 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 4 L 8.18 4.21 0.00 1.68 1.59 0.92 0.49 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 5 V 8.06 3.92 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 0.96 0.00 0.00 6 P 0.00 4.43 0.00 2.02 1.95 0.00 3.51 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 *8 V 8.27 4.00 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 0.98 0.00 0.00 0.90 0.00 0.00 9 V 8.49 4.87 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 0.88 0.00 0.00 0.95 0.00 0.00 10 E 9.15 4.72 0.00 2.04 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 2.26 2.37 0.00 11 Q 8.78 4.39 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.86 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 12 T 8.51 4.23 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 1.23 0.00 0.00 *16 E 7.88 4.39 0.00 1.98 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 2.22 2.32 0.00 17 R 8.84 4.78 0.00 1.43 1.73 0.00 3.21 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.41 0.00 18 A 8.48 5.17 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 Y 9.00 4.83 0.00 2.74 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 0.00 0.00 0.00 0.00 0.00 0.00 20 D 8.67 4.71 0.00 2.91 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 0.00 0.00 0.00 0.00 0.00 0.00 21 I 8.16 3.53 1.78 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.93 0.23 0.00 0.00 22 Y 7.54 4.23 0.00 3.22 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 23 S 8.03 4.31 0.00 4.16 4.11 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 24 R 8.13 3.61 0.00 1.77 2.03 0.00 2.78 0.00 0.00 2.69 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.59 0.00 25 L 8.07 4.10 0.00 2.03 1.83 1.12 0.41 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 26 L 7.75 4.34 0.00 2.07 1.96 1.05 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 27 K 7.74 4.10 0.00 1.75 1.78 0.00 1.51 0.00 0.00 1.42 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.54 7.81 28 D 7.90 4.79 0.00 2.86 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.16 4.06 0.00 2.00 2.00 0.00 3.06 0.00 0.00 3.07 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 30 V 7.15 4.52 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 0.44 0.00 0.00 0.59 0.00 0.00 31 I 8.73 4.72 1.87 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 1.44 0.70 1.00 0.00 0.00 32 F 8.90 4.93 0.00 2.62 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 33 L 9.05 4.64 0.00 1.74 1.57 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 34 V 7.35 4.97 2.18 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 1.28 0.00 0.00 0.94 0.00 0.00 35 G 8.67 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 Q 8.47 4.31 0.00 1.97 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.34 6.94 0.00 0.00 0.00 0.00 0.00 2.38 2.32 0.00 37 V 8.93 3.94 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 0.97 0.00 0.00 0.94 0.00 0.00 38 E 8.53 5.01 0.00 1.95 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 2.19 2.63 0.00 39 D 8.93 4.46 0.00 2.75 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 40 H 9.12 4.15 0.00 3.12 3.56 0.00 5.61 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *42 A 8.08 4.32 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 43 N 8.11 4.35 0.00 2.72 2.86 0.00 0.00 7.11 6.05 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 44 L 7.66 3.96 0.00 1.64 1.67 0.85 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 45 A 7.86 4.00 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 46 I 7.90 3.81 2.02 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 1.48 0.74 0.94 0.00 0.00 47 A 8.20 4.26 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 Q 8.02 4.41 0.00 2.36 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.33 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 *50 L 7.91 4.32 0.00 1.98 1.84 1.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 51 F 8.55 4.18 0.00 3.13 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 I 8.53 4.38 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.68 0.92 0.00 0.00 62 N 9.06 5.34 0.00 2.53 2.78 0.00 0.00 6.28 6.74 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 63 L 9.41 4.98 0.00 1.72 1.68 0.93 1.04 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 64 Y 8.73 5.00 0.00 2.03 2.37 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 65 I 8.91 4.82 1.87 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 1.13 1.32 0.92 0.00 0.00 66 N 9.19 5.41 0.00 2.88 2.73 0.00 0.00 6.17 7.68 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 67 S 9.49 4.89 0.00 3.87 3.67 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 68 P 0.00 4.58 0.00 2.15 2.57 0.00 3.65 0.00 0.00 4.35 0.00 0.00 0.00 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0.00 0.00 78 I 7.35 3.72 2.07 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.61 0.95 0.00 0.00 79 Y 8.31 4.20 0.00 2.91 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 80 D 8.20 4.51 0.00 2.77 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 81 T 7.96 4.11 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 1.29 0.00 0.00 *83 Q 8.10 4.13 0.00 1.98 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.07 0.00 0.00 0.00 0.00 0.00 1.72 1.94 0.00 84 F 8.19 4.44 0.00 2.98 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 85 V 7.61 3.76 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 0.75 0.00 0.00 0.96 0.00 0.00 86 K 8.63 3.98 0.00 1.59 1.85 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.33 7.81 87 P 0.00 4.44 0.00 1.94 2.19 0.00 3.62 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 1.97 2.08 0.00 88 D 8.73 4.40 0.00 2.91 2.60 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 89 V 8.34 4.64 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 1.06 0.00 0.00 0.97 0.00 0.00 90 R 9.11 4.78 0.00 1.98 1.86 0.00 3.41 0.00 0.00 3.42 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.90 0.00 91 T 8.89 5.15 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 1.29 0.00 0.00 92 L 8.88 4.95 0.00 1.67 1.24 0.84 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 93 C 9.01 4.91 0.00 2.98 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 I 8.38 3.38 1.89 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 1.25 0.77 0.70 0.00 0.00 95 G 8.35 4.09 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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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 Y 7.69 4.73 0.00 2.82 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 0.00 131 Q 6.57 4.31 0.00 1.79 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.90 0.00 0.00 0.00 0.00 0.00 2.09 2.24 0.00 132 G 8.20 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 0.00 133 Q 8.34 4.31 0.00 2.17 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.48 2.46 0.00 134 G 8.78 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 0.00 0.00 0.00 135 T 8.03 3.90 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 1.21 0.00 0.00 136 D 7.99 4.36 0.00 3.03 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 I 8.06 3.77 2.09 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 1.82 0.93 0.98 0.00 0.00 138 Q 8.20 3.95 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.76 0.00 0.00 0.00 0.00 0.00 2.67 2.55 0.00 139 I 7.51 3.61 1.88 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 1.45 1.18 0.72 0.00 0.00 140 H 8.15 4.00 0.00 2.85 3.22 0.00 5.62 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 A 8.55 4.03 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 0.00 142 K 8.14 3.92 0.00 1.94 1.83 0.00 1.64 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.58 7.81 143 Q 7.94 3.94 0.00 2.11 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00 144 T 8.04 3.85 4.40 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 1.22 0.00 0.00 145 Q 8.10 3.93 0.00 2.16 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.79 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 146 R 8.05 3.82 0.00 1.90 2.06 0.00 3.15 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 1.61 1.63 0.00 147 V 7.92 3.79 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.99 0.00 0.00 148 S 8.41 4.07 0.00 3.99 4.01 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 0.00 0.00 0.00 149 D 8.36 4.36 0.00 2.87 2.68 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 0.00 150 Q 8.28 3.95 0.00 2.25 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 151 L 7.94 3.95 0.00 1.71 1.77 0.84 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 152 N 7.99 4.31 0.00 2.97 2.83 0.00 0.00 7.08 7.39 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 0.00 153 Q 8.40 3.98 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.83 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 154 I 7.78 3.72 1.78 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.13 0.33 0.00 0.00 155 L 8.09 4.05 0.00 1.70 1.77 0.90 0.88 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 0.00 156 A 8.24 3.97 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 0.00 157 K 7.82 3.71 0.00 1.84 2.04 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.47 7.81 158 H 8.03 4.53 0.00 3.26 3.50 0.00 5.69 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 T 7.36 4.70 4.41 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 1.43 0.00 0.00 160 G 8.33 3.95 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 0.00 0.00 0.00 161 K 7.31 4.07 0.00 1.66 1.61 0.00 1.18 0.00 0.00 1.44 0.00 0.00 2.56 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.05 0.73 7.81 162 D 8.31 4.50 0.00 2.65 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 0.00 163 I 8.38 3.69 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.64 0.89 0.00 0.00 164 E 8.12 3.94 0.00 2.03 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 2.38 2.41 0.00 165 R 7.74 3.84 0.00 1.88 2.06 0.00 3.22 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.73 0.00 166 V 7.78 3.62 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 1.02 0.00 0.00 1.02 0.00 0.00 167 E 8.18 3.91 0.00 2.09 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 2.30 2.30 0.00 168 K 7.97 4.06 0.00 1.87 1.91 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.45 7.81 169 D 7.77 4.11 0.00 2.59 1.71 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 0.00 170 T 7.76 4.23 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 1.17 0.00 0.00 171 N 7.48 4.29 0.00 2.97 2.95 0.00 0.00 6.89 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 0.00 172 R 7.01 4.73 0.00 1.82 1.80 0.00 3.32 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 173 D 8.72 4.46 0.00 2.61 2.57 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 0.00 174 Y 8.31 4.68 0.00 3.08 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 0.00 175 F 8.67 4.51 0.00 2.83 2.87 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 0.00 176 L 8.62 4.93 0.00 1.47 1.42 0.77 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 177 T 8.97 4.23 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 1.23 0.00 0.00 178 P 0.00 4.19 0.00 2.14 2.11 0.00 3.57 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.16 0.00 179 E 8.10 4.00 0.00 2.05 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 2.40 2.46 0.00 180 E 8.44 4.08 0.00 2.20 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 2.34 2.32 0.00 181 A 8.21 4.09 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 0.00 182 V 7.83 3.80 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 1.30 0.00 0.00 0.94 0.00 0.00 183 E 8.00 3.99 0.00 2.03 2.25 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 2.39 2.43 0.00 184 Y 8.35 4.13 0.00 3.20 3.15 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 0.00 185 G 7.98 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 0.00 0.00 0.00 186 L 8.50 4.05 0.00 1.94 1.75 0.84 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 187 I 7.46 4.85 1.92 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 1.39 0.93 0.85 0.00 0.00 188 D 8.52 4.71 0.00 2.53 2.73 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 0.00 189 S 7.43 4.56 0.00 3.86 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 0.00 190 I 8.22 4.72 1.85 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 1.28 0.61 0.89 0.00 0.00 191 F 8.14 4.84 0.00 2.91 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 0.00 192 K 9.22 4.02 0.00 1.72 1.82 0.00 1.64 0.00 0.00 1.72 0.00 0.00 3.13 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.54 7.81 193 E 7.54 4.70 0.00 1.92 1.82 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 2.20 2.32 0.00 194 R 8.31 3.67 0.00 1.70 1.77 0.00 3.21 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.46 0.00 195 P 0.00 4.25 0.00 1.96 1.60 0.00 3.26 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.44 0.00 * Residues marked with a * may have inaccurate shift predictions.