NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 32 E 4.1594 8.4444 120.2077 55.5443 31.7995 175.3516 33 V 4.0561 7.2385 119.6648 60.2381 33.8832 173.1971 34 L 4.8297 9.4194 129.9931 54.8899 42.2054 176.3771 35 L 4.6098 9.5319 124.0880 55.9336 43.4748 176.9077 36 L 4.7636 7.7211 119.2833 53.6699 46.0962 174.1341 37 D 5.3132 8.7653 124.5496 52.4641 43.7691 175.8861 38 S 4.4821 9.2937 122.1082 61.2428 62.8644 176.0087 39 K 4.0613 8.6902 118.7179 58.3491 32.8499 177.4275 40 A 4.7359 7.9270 121.0941 51.7204 19.8195 177.1787 41 Q 4.5577 7.7661 118.4603 57.0070 28.6771 171.4688 42 Q 3.5617 8.8806 127.0407 55.8459 29.0807 173.2952 *46 E 4.2955 8.5364 117.3365 55.2214 31.3375 172.6287 47 W 4.7815 8.8347 123.1397 56.1895 30.2812 175.7249 48 I 4.2793 8.5433 124.2215 61.0006 37.9774 174.9080 49 S 5.2990 8.8396 123.0453 56.9986 65.4109 173.0789 50 S 4.8183 9.4501 119.9263 55.6276 65.0981 171.7317 51 P 4.7445 0.0000 0.0000 61.8117 31.9202 175.6095 52 P 4.4957 0.0000 0.0000 64.6605 31.3231 176.8976 53 N 4.9949 8.1769 113.4840 52.4893 39.2171 175.1368 54 G 3.6297 8.5305 110.5694 46.8320 0.0000 177.1552 55 W 4.5871 9.5947 117.5683 57.0871 30.4189 176.0131 56 E 4.9179 9.6764 123.6655 54.4170 33.1366 174.5673 57 E 4.3166 8.8812 124.6114 55.8615 30.7720 175.7081 58 I 4.5468 8.6047 127.1247 59.7266 40.9917 175.2268 59 S 4.6969 8.6414 122.9303 58.3632 64.3822 174.4691 60 G 4.0474 7.7400 105.9537 46.7185 0.0000 171.9657 61 L 5.2412 8.6223 120.2645 52.8096 44.9966 176.4489 62 D 4.6776 8.5275 122.7737 52.0648 41.3024 176.6778 63 E 3.7970 8.4887 115.8981 59.0134 29.6099 177.1308 64 N 4.6834 8.2128 115.1762 52.6969 38.7512 174.1528 65 Y 3.5684 7.2480 114.6940 59.2745 36.2015 169.9322 66 T 4.4804 8.2559 116.2225 61.5884 69.8795 172.9948 67 P 4.9415 0.0000 0.0000 62.8585 32.1889 175.6316 68 I 4.7233 8.9422 116.2334 59.2069 41.6943 174.3708 69 R 4.7238 8.5036 121.9118 54.7691 32.1838 175.2295 70 T 4.6991 8.4740 115.1681 60.2626 71.8067 173.2232 71 Y 5.2106 9.0023 121.0169 56.4708 41.1462 174.7464 72 Q 5.3271 9.6275 123.1961 54.2583 33.0584 174.8821 73 V 4.4067 7.9670 120.5037 60.2330 34.8667 174.0296 74 C 4.9880 7.8405 121.3579 56.4426 44.6177 175.0000 75 Q 4.3114 7.3574 123.3297 55.1068 27.7261 177.1755 76 V 3.8601 7.4879 111.5022 63.2082 32.6070 178.1120 77 M 4.4113 7.8114 116.6442 54.3531 32.0787 181.1006 78 E 4.7651 7.7270 116.6544 54.4670 32.6281 174.0990 79 P 4.4163 0.0000 0.0000 62.7204 32.8902 175.5193 80 N 4.1473 8.5169 113.9368 54.5998 35.9076 174.6143 81 Q 4.2126 7.4561 117.2828 55.6425 30.7283 177.2924 82 N 5.4341 8.3959 120.7080 52.2665 38.9866 171.9128 83 N 5.1205 9.3178 118.7568 51.3743 41.0773 174.5942 84 W 5.2991 9.6763 124.7921 54.8574 32.2408 174.9964 85 L 5.2732 8.8008 125.0818 53.2570 45.0929 174.9557 86 R 5.0201 8.8927 126.1916 54.3995 33.1100 175.0637 87 T 2.8157 8.2086 116.9989 60.2780 69.7509 173.6458 88 N 4.6236 8.1479 119.7479 52.4511 37.7426 174.2637 89 W 3.5970 8.7480 129.0256 57.4136 31.6272 174.9843 90 I 4.0631 7.0000 127.7708 58.8939 39.2571 174.8889 91 S 3.7744 7.9363 122.9254 57.3481 63.3357 174.9276 92 K 4.1137 8.7626 124.0697 57.5451 33.9534 178.8515 93 G 3.7483 7.4708 107.1068 47.2060 0.0000 173.8779 94 N 4.5926 8.7902 120.3981 52.2690 38.6545 174.6333 95 A 3.1150 6.9676 121.9856 51.9084 19.5948 176.1314 96 Q 4.0403 8.2053 118.8820 56.7011 29.7398 176.4529 97 R 4.3117 8.4294 119.5013 56.6384 31.9035 176.8448 98 I 4.4935 8.4773 123.9702 59.4562 40.5597 174.4945 99 F 4.8886 9.1221 125.3260 55.6789 41.6131 175.0180 100 V 4.7718 8.7195 122.2328 61.2099 34.2992 173.5855 101 E 5.2531 9.7814 129.9058 54.5238 31.9521 174.3019 102 L 5.4461 9.2756 127.1077 52.9829 44.9881 175.4211 103 K 5.3425 9.2454 123.5727 54.6633 34.9746 175.2273 104 F 5.3876 8.7331 118.2600 56.1717 41.6996 173.0564 105 T 4.8139 9.0061 115.3011 60.8512 70.5378 173.1232 106 L 5.0129 7.8977 123.8259 53.8039 44.6919 174.6061 107 R 4.5300 8.4140 116.2381 54.6567 33.7817 174.3808 108 D 4.5318 8.9596 122.3364 55.2072 41.4829 178.4338 109 C 4.9685 9.2368 126.2032 57.5192 39.6086 174.3038 110 N 4.7371 8.4182 117.5407 53.2141 40.5714 176.4375 111 S 4.2852 8.1992 111.2324 59.6849 63.6300 173.9053 112 L 4.6519 7.6413 121.1812 52.2555 43.2189 173.7559 113 P 4.5265 0.0000 0.0000 62.6193 32.9305 175.7286 114 G 3.9268 8.6945 110.8955 46.4305 0.0000 172.7982 115 V 4.1615 7.4482 110.3667 62.7086 35.7811 176.2709 116 L 4.0677 7.7637 119.8939 54.0295 40.8608 176.6200 *119 C 4.6258 8.3576 123.0498 56.2023 44.4852 172.8645 120 K 4.8395 8.4770 124.0546 54.9485 33.8299 175.8385 121 E 4.7556 8.6932 117.3954 56.1354 30.4726 175.2639 122 T 5.2911 7.7870 108.4606 60.0374 72.5251 172.1588 123 F 5.1053 8.6569 115.7680 55.6701 42.1746 172.7585 124 N 5.1313 9.1890 116.3645 51.3930 41.2489 173.7431 125 L 5.0195 8.3570 124.9937 53.6610 44.4484 174.7993 126 Y 5.4859 9.0393 123.0506 56.4936 42.7192 173.5865 127 Y 5.7163 9.2144 117.8854 55.9999 42.4874 173.6026 128 Y 4.7754 9.1356 120.5724 56.0522 42.0714 173.7903 129 E 4.6585 8.5017 126.5970 56.3946 30.6372 175.9979 130 T 4.3341 8.6203 116.9921 61.1295 70.8018 174.2878 131 D 4.2434 8.8480 127.8378 56.6810 41.1616 176.5538 132 Y 4.2959 7.2484 114.3987 55.5747 41.2125 175.3118 133 D 4.5934 7.5600 122.5259 53.8710 39.7566 174.6820 134 T 4.5473 8.1206 119.1177 60.4944 70.2100 170.3335 135 G 4.0328 8.6619 122.2724 45.4795 0.0000 173.7494 136 R 4.3530 8.4712 120.8406 56.1499 30.7140 176.3622 137 N 4.5345 7.7294 115.7255 52.5386 39.5109 174.8104 138 I 4.0212 7.9709 122.2187 59.8804 37.8706 176.1405 139 R 4.1305 7.9514 126.3174 54.0572 29.8783 176.8822 140 E 2.8736 8.0570 123.9026 59.2405 29.4527 179.3544 141 N 4.5850 7.7169 112.6927 54.4931 38.9084 175.7997 142 L 4.0747 7.5046 117.9528 56.3210 42.1237 176.9172 143 Y 4.2432 7.5987 116.6808 57.4547 38.6638 174.7337 144 V 4.3476 8.4059 124.4342 61.0215 33.3646 174.8717 145 K 3.7718 8.7850 129.9063 56.9341 32.1916 176.2467 146 I 4.0742 8.6598 129.8963 63.0766 37.3990 175.3814 147 D 4.4128 7.2225 118.4182 53.5135 44.6904 173.7913 148 T 4.3405 8.3573 119.1002 63.3417 69.5288 174.1854 149 I 4.2705 8.6543 127.2820 59.4159 39.0404 174.6443 150 A 5.2299 8.4601 127.8553 49.6249 21.9409 175.5110 151 A 4.5046 8.1589 119.9030 51.5595 19.3568 177.7064 152 D 4.4700 9.2052 120.1742 54.0808 41.4981 176.9955 153 E 4.2106 8.5466 120.5164 56.6063 30.8511 176.4644 154 S 4.2304 8.0150 117.9106 57.4300 63.9162 172.4097 *165 M 4.1652 8.6307 119.8169 55.7200 32.9336 175.3616 166 K 4.3231 8.4061 124.0479 53.1396 32.9902 174.3198 167 L 4.3166 8.3522 126.9173 53.5165 42.9615 175.3883 168 N 4.7523 8.6599 124.4681 52.0137 40.7440 174.1362 169 T 5.2189 8.3486 118.9113 61.8628 71.3848 173.2029 170 E 4.8380 9.5548 125.8664 54.4822 33.2318 174.9199 171 V 5.0460 8.6593 123.7858 61.2098 34.0208 174.7622 172 R 4.7286 9.1329 126.0808 54.3322 33.9450 173.7635 173 E 4.5367 8.6485 123.8071 54.4042 31.2996 174.6924 174 I 4.1981 8.4952 119.7115 59.8828 41.6825 175.8273 175 G 3.3674 8.1027 109.5091 43.7049 0.0000 171.2007 176 P 4.8529 0.0000 0.0000 62.1640 31.8037 176.1879 177 L 4.3175 7.9190 122.0324 53.9937 42.7114 177.0520 178 S 4.3115 8.5610 115.6253 59.7483 63.8785 174.7956 179 K 4.4599 8.7456 120.6978 54.9993 33.2553 176.8896 180 K 4.1092 9.0685 119.7897 59.9718 33.0884 177.2043 181 G 3.7800 7.9637 105.3628 46.5292 0.0000 171.9155 182 F 5.1519 7.1432 112.6094 56.3475 41.4806 172.7342 183 Y 4.8835 8.9313 117.5763 56.4712 40.7794 174.7732 184 L 5.2171 8.4278 121.6126 53.2934 44.3875 175.5278 185 A 4.7922 8.7387 123.1917 50.0384 23.1704 174.8221 186 F 5.2021 8.9774 118.8983 55.6019 42.4763 173.9804 187 Q 4.5479 9.1451 125.4586 54.1928 31.1151 173.4013 188 D 5.0958 9.4826 127.2799 52.6538 43.0152 176.9926 189 V 5.3495 7.8044 117.4716 60.7461 32.5345 175.1901 190 G 3.8865 7.4195 108.0263 46.4087 0.0000 174.2007 191 A 4.7872 9.0447 122.7234 50.2712 21.5288 175.6337 192 C 5.0215 8.3597 118.9960 54.9817 39.1360 171.7702 193 I 4.9169 8.6286 126.1329 58.9850 40.3834 174.4854 194 A 4.6940 8.8244 128.3288 50.1305 21.1721 175.6009 195 L 4.5557 9.2949 126.5386 55.3049 41.8299 177.0870 196 V 4.0372 8.7976 127.6026 64.6715 32.6250 176.1427 197 S 4.7744 7.8942 113.8761 56.8861 66.1843 173.0330 198 V 5.0706 9.1609 126.1747 61.2391 34.5848 174.1899 199 K 5.3542 9.5500 127.1208 54.6543 36.1208 175.3221 200 V 5.1163 9.1119 123.9586 61.3571 34.4704 173.8795 201 Y 5.5933 8.6907 125.0013 56.0615 41.9974 173.0676 202 Y 5.4306 8.8451 117.6670 55.4906 42.1747 173.9257 203 K 4.9349 8.8437 118.6652 54.4359 34.4993 176.9920 204 K 4.2920 8.6733 122.1854 56.8962 31.9622 177.0369 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 32 E 8.44 4.16 0.00 1.86 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 2.15 2.24 0.00 33 V 7.24 4.06 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 0.00 0.00 0.95 0.00 0.00 0.67 0.00 0.00 34 L 9.42 4.83 0.00 1.61 1.66 0.92 1.15 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 35 L 9.53 4.61 0.00 1.66 1.73 1.10 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 36 L 7.72 4.76 0.00 1.70 1.53 0.99 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 37 D 8.77 5.31 0.00 2.79 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.29 4.48 0.00 3.97 4.29 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 39 K 8.69 4.06 0.00 2.02 1.99 0.00 1.63 0.00 0.00 1.78 0.00 0.00 3.01 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.83 1.41 7.81 40 A 7.93 4.74 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 41 Q 7.77 4.56 0.00 2.33 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.29 5.87 0.00 0.00 0.00 0.00 0.00 2.43 2.41 0.00 42 Q 8.88 3.56 0.00 2.27 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.87 6.53 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 *46 E 8.54 4.30 0.00 2.01 1.78 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 2.13 1.91 0.00 47 W 8.83 4.78 0.00 3.14 3.20 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 0.00 0.00 0.00 0.00 48 I 8.54 4.28 1.91 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.06 0.99 0.00 0.00 49 S 8.84 5.30 0.00 3.92 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 50 S 9.45 4.82 0.00 3.84 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 P 0.00 4.74 0.00 2.49 2.21 0.00 3.99 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.04 0.00 52 P 0.00 4.50 0.00 2.10 2.23 0.00 3.75 0.00 0.00 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.09 0.00 53 N 8.18 4.99 0.00 2.82 2.92 0.00 0.00 5.94 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.53 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 9.59 4.59 0.00 3.26 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 56 E 9.68 4.92 0.00 1.87 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 2.27 2.30 0.00 57 E 8.88 4.32 0.00 1.89 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 1.80 0.00 58 I 8.60 4.55 1.79 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.59 0.86 0.00 0.00 59 S 8.64 4.70 0.00 3.68 3.71 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 60 G 7.74 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.62 5.24 0.00 1.55 1.49 1.10 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 62 D 8.53 4.68 0.00 2.85 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 63 E 8.49 3.80 0.00 1.99 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.23 0.00 64 N 8.21 4.68 0.00 2.85 2.91 0.00 0.00 6.94 7.46 0.00 0.00 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 Y 7.25 3.57 0.00 3.15 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 66 T 8.26 4.48 4.58 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 1.22 0.00 0.00 67 P 0.00 4.94 0.00 1.93 1.98 0.00 3.63 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 68 I 8.94 4.72 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.79 0.95 0.00 0.00 69 R 8.50 4.72 0.00 1.64 1.51 0.00 3.11 0.00 0.00 3.39 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.47 0.00 70 T 8.47 4.70 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 71 Y 9.00 5.21 0.00 2.86 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 72 Q 9.63 5.33 0.00 1.89 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.71 0.00 0.00 0.00 0.00 0.00 2.28 2.39 0.00 73 V 7.97 4.41 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 -0.89 0.00 0.00 0.61 0.00 0.00 74 C 7.84 4.99 0.00 2.81 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 Q 7.36 4.31 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.50 6.78 0.00 0.00 0.00 0.00 0.00 2.20 2.25 0.00 76 V 7.49 3.86 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 0.69 0.00 0.00 0.90 0.00 0.00 77 M 7.81 4.41 0.00 2.03 1.95 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.11 0.00 78 E 7.73 4.77 0.00 1.89 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 2.19 2.24 0.00 79 P 0.00 4.42 0.00 2.18 2.06 0.00 3.91 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 80 N 8.52 4.15 0.00 2.86 2.89 0.00 0.00 6.96 7.69 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 81 Q 7.46 4.21 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.98 0.00 0.00 0.00 0.00 0.00 2.55 2.36 0.00 82 N 8.40 5.43 0.00 2.76 2.79 0.00 0.00 7.00 7.79 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 83 N 9.32 5.12 0.00 2.59 2.79 0.00 0.00 6.91 8.39 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 84 W 9.68 5.30 0.00 3.32 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.80 5.27 0.00 1.00 0.63 1.12 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 86 R 8.89 5.02 0.00 1.82 1.66 0.00 2.43 0.00 0.00 3.01 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 87 T 8.21 2.82 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 0.11 0.00 0.00 88 N 8.15 4.62 0.00 3.00 3.09 0.00 0.00 5.98 8.88 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 89 W 8.75 3.60 0.00 3.21 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 90 I 7.00 4.06 0.56 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.15 0.48 0.00 0.00 91 S 7.94 3.77 0.00 3.80 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 K 8.76 4.11 0.00 1.87 2.08 0.00 1.31 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.56 1.26 7.81 93 G 7.47 3.75 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 0.00 0.00 0.00 94 N 8.79 4.59 0.00 2.78 2.82 0.00 0.00 6.73 7.35 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 95 A 6.97 3.12 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 96 Q 8.21 4.04 0.00 2.02 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 7.05 0.00 0.00 0.00 0.00 0.00 2.27 2.25 0.00 97 R 8.43 4.31 0.00 1.63 1.62 0.00 3.25 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 1.53 1.54 0.00 98 I 8.48 4.49 1.44 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.87 0.76 0.00 0.00 99 F 9.12 4.89 0.00 1.78 2.32 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 0.00 100 V 8.72 4.77 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 1.17 0.00 0.00 0.89 0.00 0.00 101 E 9.78 5.25 0.00 2.42 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 0.00 2.38 2.43 0.00 102 L 9.28 5.45 0.00 1.94 1.88 1.23 1.19 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 0.00 103 K 9.25 5.34 0.00 1.75 1.73 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.39 1.44 7.81 104 F 8.73 5.39 0.00 3.33 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 0.00 105 T 9.01 4.81 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 1.24 0.00 0.00 106 L 7.90 5.01 0.00 1.84 1.65 1.29 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 107 R 8.41 4.53 0.00 1.79 1.78 0.00 3.29 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 108 D 8.96 4.53 0.00 2.69 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 0.00 109 C 9.24 4.97 0.00 3.00 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 0.00 110 N 8.42 4.74 0.00 2.63 2.80 0.00 0.00 6.86 7.16 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 0.00 111 S 8.20 4.29 0.00 3.98 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.64 4.65 0.00 1.64 1.61 0.91 1.01 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 0.00 113 P 0.00 4.53 0.00 2.17 2.04 0.00 3.90 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.94 0.00 114 G 8.69 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 0.00 115 V 7.45 4.16 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 0.89 0.00 0.00 0.98 0.00 0.00 116 L 7.76 4.07 0.00 1.64 1.65 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 *119 C 8.36 4.63 0.00 2.95 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 K 8.48 4.84 0.00 1.77 1.69 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.38 7.81 121 E 8.69 4.76 0.00 2.02 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 2.44 2.28 0.00 122 T 7.79 5.29 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 1.22 0.00 0.00 123 F 8.66 5.11 0.00 3.45 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 0.00 124 N 9.19 5.13 0.00 2.79 2.40 0.00 0.00 6.92 6.25 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 0.00 125 L 8.36 5.02 0.00 1.67 1.49 0.87 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 126 Y 9.04 5.49 0.00 2.99 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 0.00 127 Y 9.21 5.72 0.00 3.32 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.14 4.78 0.00 1.91 2.44 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 0.00 129 E 8.50 4.66 0.00 1.77 1.70 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 2.27 2.47 0.00 130 T 8.62 4.33 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 1.57 0.00 0.00 131 D 8.85 4.24 0.00 2.33 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 Y 7.25 4.30 0.00 2.82 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 0.00 133 D 7.56 4.59 0.00 1.89 2.30 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 0.00 134 T 8.12 4.55 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 1.37 0.00 0.00 135 G 8.66 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.47 4.35 0.00 1.82 1.99 0.00 3.20 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 137 N 7.73 4.53 0.00 2.63 2.65 0.00 0.00 6.88 7.45 0.00 0.00 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 I 7.97 4.02 1.64 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 1.29 0.48 0.30 0.00 0.00 139 R 7.95 4.13 0.00 1.59 1.69 0.00 3.21 0.00 0.00 3.21 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.40 0.00 140 E 8.06 2.87 0.00 1.70 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 1.47 1.78 0.00 141 N 7.72 4.58 0.00 2.62 2.81 0.00 0.00 6.91 7.85 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 0.00 142 L 7.50 4.07 0.00 1.21 0.78 0.47 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 143 Y 7.60 4.24 0.00 3.00 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 V 8.41 4.35 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 0.97 0.00 0.00 0.77 0.00 0.00 145 K 8.78 3.77 0.00 1.62 1.60 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.72 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.14 0.72 7.81 146 I 8.66 4.07 1.91 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 0.90 0.85 0.00 0.00 147 D 7.22 4.41 0.00 2.66 2.33 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 0.00 148 T 8.36 4.34 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 1.13 0.00 0.00 149 I 8.65 4.27 0.56 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 0.61 0.46 0.50 0.00 0.00 150 A 8.46 5.23 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 A 8.16 4.50 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 0.00 152 D 9.21 4.47 0.00 2.66 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 0.00 153 E 8.55 4.21 0.00 2.07 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 2.36 0.00 154 S 8.02 4.23 0.00 3.78 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 *165 M 8.63 4.17 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.48 0.00 166 K 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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 0.81 0.37 0.60 0.00 0.00 175 G 8.10 3.37 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 0.00 176 P 0.00 4.85 0.00 1.95 1.88 0.00 3.62 0.00 0.00 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.96 0.00 177 L 7.92 4.32 0.00 1.42 1.63 0.16 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 178 S 8.56 4.31 0.00 3.93 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 0.00 179 K 8.75 4.46 0.00 1.67 1.75 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.54 1.43 7.81 180 K 9.07 4.11 0.00 1.98 2.07 0.00 1.41 0.00 0.00 1.56 0.00 0.00 2.66 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.47 7.81 181 G 7.96 3.78 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 0.00 0.00 0.00 182 F 7.14 5.15 0.00 3.24 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 Y 8.93 4.88 0.00 3.21 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 0.00 184 L 8.43 5.22 0.00 1.36 1.13 1.01 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 185 A 8.74 4.79 0.99 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 0.00 186 F 8.98 5.20 0.00 2.24 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 0.00 187 Q 9.15 4.55 0.00 0.93 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.04 1.49 0.00 188 D 9.48 5.10 0.00 2.56 2.32 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 0.00 189 V 7.80 5.35 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.97 0.00 0.00 190 G 7.42 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 0.00 0.00 0.00 191 A 9.04 4.79 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 0.00 192 C 8.36 5.02 0.00 2.95 2.94 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 0.00 193 I 8.63 4.92 1.49 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.78 0.81 0.00 0.00 194 A 8.82 4.69 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 0.00 195 L 9.29 4.56 0.00 1.75 1.84 0.91 -0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 196 V 8.80 4.04 2.14 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 0.77 0.00 0.00 1.01 0.00 0.00 197 S 7.89 4.77 0.00 3.95 3.71 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 0.00 198 V 9.16 5.07 2.51 0.00 0.00 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 1.08 0.00 0.00 199 K 9.55 5.35 0.00 1.92 1.89 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.47 7.81 200 V 9.11 5.12 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 1.20 0.00 0.00 1.06 0.00 0.00 201 Y 8.69 5.59 0.00 3.17 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 0.00 202 Y 8.85 5.43 0.00 3.26 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 0.00 203 K 8.84 4.93 0.00 1.78 1.91 0.00 1.82 0.00 0.00 1.68 0.00 0.00 2.50 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.53 7.81 204 K 8.67 4.29 0.00 1.78 1.77 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.53 1.31 7.81 * Residues marked with a * may have inaccurate shift predictions.