NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 A 4.2510 8.2649 123.5709 51.7350 20.3580 176.1745 8 H 4.7863 7.8246 114.0453 54.5106 31.1493 172.5165 9 H 4.6871 9.3166 120.5056 55.5290 30.7741 173.8564 10 H 4.9858 8.2605 116.1321 53.9272 32.4479 173.5159 11 H 4.2870 8.7000 118.5951 56.5046 29.0361 174.6056 12 H 5.1292 8.3638 117.1351 54.3222 31.8535 173.3757 13 H 4.7085 8.6206 118.8946 54.8375 28.4755 174.7092 *36 R 4.4291 7.6785 119.9881 56.0757 32.4644 179.2034 37 E 4.1290 8.1208 116.5181 59.1389 29.3573 177.3636 38 P 4.2672 0.0000 0.0000 65.4280 31.3996 178.5219 39 R 3.8771 8.0089 116.8806 59.5302 30.0607 178.3538 40 A 4.0430 7.6853 119.4912 55.0102 18.2884 179.5601 41 Q 3.9745 8.1660 116.8882 59.3414 28.7923 179.3463 42 R 3.9441 7.7289 119.1980 58.9958 30.0841 179.3433 43 V 3.5233 8.0154 117.9215 65.8988 31.5997 177.8647 44 A 4.0100 8.0743 120.4811 55.3250 18.2117 179.4490 45 L 3.9442 8.0433 117.4433 58.1483 41.7975 179.7029 46 Q 3.9579 8.0966 119.3556 59.0363 29.0574 178.1417 47 L 4.0306 8.0523 120.1798 57.6314 41.6932 179.5385 48 V 3.5740 8.4991 118.4041 65.8579 31.3759 177.8207 49 A 3.9784 8.1785 120.6210 55.3533 18.1634 179.7431 50 I 3.6000 7.6684 117.8848 64.2779 37.0886 178.7932 51 V 3.3655 7.6349 118.9761 66.0374 31.4014 178.3385 52 K 3.8829 8.0551 118.1501 58.9995 31.7953 179.1059 53 L 3.8712 8.0337 120.8803 58.4408 42.0388 179.0538 54 T 3.6658 7.7433 115.4796 66.5740 68.3379 176.4131 55 R 3.5082 7.6553 120.5975 59.7375 29.9474 178.7403 56 T 3.9080 7.8758 115.0995 66.6029 68.2626 176.7735 57 A 4.0326 7.6906 121.5343 54.8680 18.6683 179.1864 58 L 3.9593 7.9482 118.8710 58.2880 42.0142 178.7465 59 L 3.7188 7.6508 118.9054 57.7866 41.9474 177.6413 60 Y 4.6042 7.1447 113.1929 56.6012 38.8274 176.1753 61 S 4.2550 7.3019 115.8283 57.7908 63.8503 173.7805 62 D 4.4300 8.6327 123.0296 53.6018 41.2652 175.3860 63 P 4.2339 0.0000 0.0000 65.7670 31.4189 177.5654 64 D 4.5369 8.6095 117.3292 55.4952 41.0797 177.2342 65 L 4.5867 7.9495 118.9421 54.6860 42.2357 178.3331 66 R 3.9097 7.6580 119.5018 58.9650 29.9550 178.8493 67 R 3.8275 7.9293 117.9934 59.4229 30.2171 178.2513 68 A 3.9986 7.9591 120.1155 54.9791 18.3774 179.1668 69 L 3.8732 8.1463 119.1612 58.2994 42.1258 179.2715 70 L 3.9746 7.9267 118.9644 57.7572 41.5727 179.2047 71 Q 3.9358 8.0190 119.5231 59.1011 28.9143 177.8692 72 D 4.2514 8.2260 119.0014 57.5461 41.3427 178.3481 73 L 3.9625 8.3528 119.8576 57.4711 41.5124 179.2494 74 E 4.1347 8.5007 121.1317 58.9362 29.4708 178.8289 75 S 4.0602 8.3664 112.0873 61.1574 62.4966 175.1302 76 N 4.6424 8.2348 117.8357 54.4068 38.9633 176.2101 77 E 4.6280 7.9878 116.5639 54.5448 31.1820 176.0387 78 G 3.8985 8.2116 107.6724 46.4622 0.0000 172.9888 79 V 4.6318 7.5448 118.4613 61.1081 33.7159 174.6358 80 R 4.6740 8.7996 125.2757 54.3158 34.3641 174.2699 81 V 5.1246 8.2101 120.7205 61.5186 33.8941 174.3087 82 Y 5.0277 9.2084 124.2865 55.4094 41.9015 173.4158 83 P 4.4590 0.0000 0.0000 62.7063 32.4097 175.5553 84 R 4.7167 8.2718 124.2147 54.7211 31.2260 175.3094 85 E 4.6782 9.6028 128.0995 54.6540 32.4848 177.9400 86 K 4.0393 8.4909 121.8639 57.8919 31.8398 178.7153 87 T 4.2882 7.7848 105.7470 62.3260 69.1044 174.4516 88 D 4.6214 7.8369 125.9614 55.2754 41.5163 176.4818 89 K 4.6102 8.9862 127.6392 54.3668 33.4341 173.3880 90 F 5.1653 7.9226 117.1065 54.7463 41.3187 173.2792 91 K 4.5149 8.6870 121.6065 54.2706 34.3938 175.6982 92 L 4.6260 8.6653 126.8683 54.7993 42.4268 176.9795 93 Q 4.2799 8.6905 119.6914 55.3199 29.5552 174.9550 94 P 4.2656 0.0000 0.0000 63.3616 32.2272 177.1954 95 D 4.6162 8.4171 123.2678 53.0404 39.8270 175.3072 96 E 4.6935 7.5120 122.4127 54.0604 33.9146 176.5640 97 S 4.0925 8.4595 116.1732 62.2178 62.8515 177.3677 98 V 3.6519 7.8490 114.1917 64.7385 31.2266 178.2934 99 N 4.3519 8.1338 115.4167 56.4509 38.4674 177.4492 100 R 3.9687 8.0143 119.4103 59.1681 30.1277 179.0830 101 L 3.9818 7.8781 118.4370 57.8832 41.6792 179.3430 102 I 3.7291 7.9465 119.6994 64.7147 37.0828 178.3007 103 E 3.9741 8.5322 119.4592 59.5832 29.2669 178.6892 104 H 4.0234 8.3680 118.1918 59.7800 29.7168 177.1017 105 D 4.5750 7.9852 120.3004 56.5455 41.0135 178.4657 106 I 3.8678 8.4474 120.9152 64.7547 37.1236 178.5916 107 R 4.1226 8.4246 119.2350 59.2201 29.8130 179.1254 108 S 4.1813 8.3929 113.4045 60.4465 62.6582 175.9678 109 R 4.2614 7.7313 120.4224 57.0852 31.1608 176.8744 110 L 4.3992 8.7106 116.3272 54.5714 43.4635 175.4820 111 G 4.0586 8.0056 104.2094 43.1276 0.0000 174.6485 112 D 4.3982 8.6424 123.2768 57.0898 40.9418 177.5985 113 D 4.5050 7.9625 116.1158 54.4692 39.8722 176.5916 114 T 3.8020 7.5338 117.8160 64.3031 68.9174 173.2895 115 V 4.2935 8.4114 126.6544 61.5923 33.3152 174.5856 116 I 5.3740 8.3861 127.2773 59.7233 40.3738 174.5029 117 A 4.9601 9.1668 126.7648 50.8293 23.2429 176.3170 118 Q 4.7585 8.9760 116.8388 55.2293 30.2783 175.0963 119 S 4.8990 7.1332 111.0796 58.0563 65.9248 175.0111 120 V 3.9104 6.8173 126.0405 62.1120 34.0185 175.0691 121 N 3.9630 9.6395 124.7854 54.5854 36.4638 174.5453 122 D 4.3436 7.8761 112.3453 54.8093 38.9836 174.1657 123 I 4.3653 7.5061 121.8146 58.9093 38.0106 173.9307 124 P 5.0011 0.0000 0.0000 61.6049 32.1593 176.8699 125 G 3.7469 7.5205 106.2371 46.0195 0.0000 170.6905 126 V 4.3759 7.3603 120.4144 61.4726 32.8345 175.5359 127 W 5.3444 9.4903 128.9785 55.2269 31.7360 175.5313 128 I 5.5113 9.0283 124.3885 59.7984 40.7700 175.0141 129 S 4.9615 9.3427 122.8061 58.2530 64.2474 173.2020 130 F 5.1093 8.7876 118.0479 56.4267 41.6871 173.5586 131 K 5.1826 8.8850 121.6094 53.4751 35.6287 176.0162 132 I 4.4954 8.5998 122.9096 60.1525 40.1166 177.1639 133 D 4.4711 8.6487 130.6545 56.5512 39.6849 175.1909 134 D 4.7965 9.0852 124.3543 53.7698 40.0679 175.8270 135 D 4.7041 8.2365 121.2268 53.9989 42.3312 175.1506 136 D 4.9599 7.9518 123.1055 53.2200 43.1945 175.0518 137 Y 5.0206 8.0843 118.7177 56.2146 43.2260 173.8439 138 W 5.6259 9.4877 119.7443 55.3184 33.4538 175.0761 139 V 5.1248 9.2604 116.3124 59.8594 33.7055 174.6064 140 A 4.2412 8.9362 127.1032 49.7423 21.3710 175.0328 141 L 5.1324 8.1720 123.2164 52.7224 43.8947 177.4033 142 D 4.5458 8.8901 122.8967 54.7887 39.5896 177.0374 143 R 3.9929 8.0249 118.3655 56.7573 30.8079 176.1016 144 D 4.5195 8.7662 121.2846 57.2074 40.9522 176.5140 145 Q 4.5878 7.3561 112.7237 54.9600 31.2270 174.0510 146 L 4.0761 8.5198 120.3524 58.3022 42.3474 177.6107 147 D 4.7252 7.7558 118.5559 53.4440 39.0495 173.8713 148 T 4.5914 7.5972 116.8485 61.5099 72.8943 173.5166 149 V 4.5118 8.2821 125.5813 61.0416 33.6005 175.1674 150 T 4.2502 9.0533 118.4641 60.9360 69.7900 175.0483 151 G 3.7231 8.4645 110.5700 46.0084 0.0000 173.6364 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 7 A 8.26 4.25 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 8 H 7.82 4.79 0.00 3.16 3.15 0.00 5.70 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 H 9.32 4.69 0.00 3.11 3.31 0.00 5.84 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 H 8.26 4.99 0.00 3.09 3.18 0.00 5.71 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 H 8.70 4.29 0.00 3.16 3.17 0.00 5.64 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.36 5.13 0.00 3.20 3.28 0.00 5.67 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 H 8.62 4.71 0.00 3.11 3.29 0.00 5.93 0.00 0.00 0.00 0.00 6.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *36 R 7.68 4.43 0.00 1.76 1.98 0.00 3.25 0.00 0.00 3.34 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.23 0.00 37 E 8.12 4.13 0.00 2.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 38 P 0.00 4.27 0.00 2.15 2.10 0.00 3.60 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 2.11 2.14 0.00 39 R 8.01 3.88 0.00 1.88 1.93 0.00 3.18 0.00 0.00 3.35 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 40 A 7.69 4.04 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 41 Q 8.17 3.97 0.00 2.30 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.56 0.00 42 R 7.73 3.94 0.00 1.96 1.98 0.00 3.13 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 1.65 1.81 0.00 43 V 8.02 3.52 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 1.10 0.00 0.00 1.00 0.00 0.00 44 A 8.07 4.01 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 L 8.04 3.94 0.00 1.95 1.74 0.92 0.79 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 46 Q 8.10 3.96 0.00 2.36 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 47 L 8.05 4.03 0.00 1.77 1.71 0.95 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 48 V 8.50 3.57 2.13 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 1.01 0.00 0.00 1.00 0.00 0.00 49 A 8.18 3.98 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 50 I 7.67 3.60 1.98 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 1.37 0.67 0.87 0.00 0.00 51 V 7.63 3.37 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 0.97 0.00 0.00 0.99 0.00 0.00 52 K 8.06 3.88 0.00 1.79 1.79 0.00 1.70 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.51 7.81 53 L 8.03 3.87 0.00 1.80 1.82 0.89 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 54 T 7.74 3.67 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 1.10 0.00 0.00 55 R 7.66 3.51 0.00 1.26 1.68 0.00 3.13 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.75 0.00 56 T 7.88 3.91 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 1.35 0.00 0.00 57 A 7.69 4.03 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 58 L 7.95 3.96 0.00 1.77 1.74 0.88 0.26 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 59 L 7.65 3.72 0.00 1.51 1.45 0.66 0.76 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 60 Y 7.14 4.60 0.00 2.98 2.95 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 61 S 7.30 4.26 0.00 4.00 4.10 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 62 D 8.63 4.43 0.00 2.71 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 63 P 0.00 4.23 0.00 2.26 2.30 0.00 3.75 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.00 0.00 64 D 8.61 4.54 0.00 2.81 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 L 7.95 4.59 0.00 1.66 1.66 0.92 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 66 R 7.66 3.91 0.00 2.06 1.97 0.00 3.12 0.00 0.00 3.08 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.76 0.00 67 R 7.93 3.83 0.00 1.84 1.91 0.00 3.34 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.63 0.00 68 A 7.96 4.00 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 69 L 8.15 3.87 0.00 1.74 1.83 0.90 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 70 L 7.93 3.97 0.00 1.85 1.66 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 8.02 3.94 0.00 2.13 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 72 D 8.23 4.25 0.00 2.89 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 73 L 8.35 3.96 0.00 1.64 1.66 0.87 0.80 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 74 E 8.50 4.13 0.00 2.11 1.91 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 2.29 2.14 0.00 75 S 8.37 4.06 0.00 3.84 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 76 N 8.23 4.64 0.00 2.82 2.83 0.00 0.00 6.87 7.30 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 77 E 7.99 4.63 0.00 2.03 1.91 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 2.20 2.38 0.00 78 G 8.21 3.90 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 0.00 0.00 0.00 79 V 7.54 4.63 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 0.96 0.00 0.00 0.89 0.00 0.00 80 R 8.80 4.67 0.00 1.80 1.58 0.00 3.14 0.00 0.00 3.28 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.50 0.00 81 V 8.21 5.12 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 1.08 0.00 0.00 0.97 0.00 0.00 82 Y 9.21 5.03 0.00 3.48 3.18 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 83 P 0.00 4.46 0.00 1.97 1.84 0.00 3.86 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 2.09 2.15 0.00 84 R 8.27 4.72 0.00 0.68 1.16 0.00 2.21 0.00 0.00 2.41 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.08 0.00 85 E 9.60 4.68 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 2.25 2.38 0.00 86 K 8.49 4.04 0.00 1.77 1.73 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.00 7.81 87 T 7.78 4.29 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 1.21 0.00 0.00 88 D 7.84 4.62 0.00 3.03 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 89 K 8.99 4.61 0.00 1.44 1.67 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.33 1.25 7.81 90 F 7.92 5.17 0.00 2.81 2.71 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 91 K 8.69 4.51 0.00 1.73 1.62 0.00 1.62 0.00 0.00 1.60 0.00 0.00 2.79 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.35 7.81 92 L 8.67 4.63 0.00 1.63 1.68 0.98 1.22 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 93 Q 8.69 4.28 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.89 0.00 0.00 0.00 0.00 0.00 2.45 2.41 0.00 94 P 0.00 4.27 0.00 2.05 2.01 0.00 3.70 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 95 D 8.42 4.62 0.00 2.63 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 96 E 7.51 4.69 0.00 2.05 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 2.32 2.38 0.00 97 S 8.46 4.09 0.00 3.87 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 98 V 7.85 3.65 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 0.83 0.00 0.00 0.94 0.00 0.00 99 N 8.13 4.35 0.00 2.90 2.90 0.00 0.00 7.11 7.66 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 0.00 100 R 8.01 3.97 0.00 2.08 2.01 0.00 3.14 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.80 0.00 101 L 7.88 3.98 0.00 1.99 1.73 0.93 0.76 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 0.00 102 I 7.95 3.73 2.02 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.88 0.94 0.00 0.00 103 E 8.53 3.97 0.00 2.08 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 2.38 2.59 0.00 104 H 8.37 4.02 0.00 3.37 3.48 0.00 5.59 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 D 7.99 4.58 0.00 2.74 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 0.00 106 I 8.45 3.87 2.03 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 1.55 1.35 0.95 0.00 0.00 107 R 8.42 4.12 0.00 1.97 1.96 0.00 3.13 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.76 0.00 108 S 8.39 4.18 0.00 4.06 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 0.00 109 R 7.73 4.26 0.00 1.84 2.01 0.00 3.15 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.95 0.00 110 L 8.71 4.40 0.00 1.65 1.75 0.96 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 111 G 8.01 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 0.00 112 D 8.64 4.40 0.00 2.67 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.96 4.50 0.00 2.75 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 0.00 114 T 7.53 3.80 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 1.27 0.00 0.00 115 V 8.41 4.29 1.92 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 0.59 0.00 0.00 0.74 0.00 0.00 116 I 8.39 5.37 1.95 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.88 1.01 0.00 0.00 117 A 9.17 4.96 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 0.00 118 Q 8.98 4.76 0.00 2.18 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.64 2.15 0.00 119 S 7.13 4.90 0.00 3.83 3.58 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 0.00 120 V 6.82 3.91 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 0.00 0.00 -0.12 0.00 0.00 -1.05 0.00 0.00 121 N 9.64 3.96 0.00 2.52 2.67 0.00 0.00 7.08 8.60 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 0.00 122 D 7.88 4.34 0.00 2.78 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 0.00 123 I 7.51 4.37 2.15 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 1.41 1.10 1.10 0.00 0.00 124 P 0.00 5.00 0.00 2.10 2.03 0.00 3.91 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 2.05 2.10 0.00 125 G 7.52 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 0.00 126 V 7.36 4.38 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 1.08 0.00 0.00 0.96 0.00 0.00 127 W 9.49 5.34 0.00 3.13 2.88 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 0.00 128 I 9.03 5.51 2.06 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 1.42 1.20 1.04 0.00 0.00 129 S 9.34 4.96 0.00 3.22 3.22 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 0.00 130 F 8.79 5.11 0.00 3.13 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 0.00 131 K 8.88 5.18 0.00 1.51 1.57 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.65 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.24 0.99 7.81 132 I 8.60 4.50 2.11 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.84 0.93 0.00 0.00 133 D 8.65 4.47 0.00 2.82 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 0.00 0.00 0.00 134 D 9.09 4.80 0.00 2.69 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 D 8.24 4.70 0.00 2.87 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 0.00 0.00 0.00 0.00 136 D 7.95 4.96 0.00 2.46 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 Y 8.08 5.02 0.00 1.43 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 0.00 0.00 0.00 138 W 9.49 5.63 0.00 3.68 3.45 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 0.00 0.00 0.00 0.00 139 V 9.26 5.12 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 0.91 0.00 0.00 1.05 0.00 0.00 140 A 8.94 4.24 -0.26 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 0.00 141 L 8.17 5.13 0.00 1.64 1.49 0.87 1.12 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 0.00 142 D 8.89 4.55 0.00 2.65 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 R 8.02 3.99 0.00 1.80 1.94 0.00 3.20 0.00 0.00 3.21 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 144 D 8.77 4.52 0.00 2.65 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 0.00 145 Q 7.36 4.59 0.00 2.13 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.07 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 146 L 8.52 4.08 0.00 1.65 1.76 0.97 1.27 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 0.00 147 D 7.76 4.73 0.00 2.67 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 0.00 148 T 7.60 4.59 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 1.21 0.00 0.00 149 V 8.28 4.51 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 0.94 0.00 0.00 150 T 9.05 4.25 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 0.00 151 G 8.46 3.72 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.