NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.3502 8.1693 120.6371 54.6208 42.6549 177.0649 2 N 4.5874 8.6685 122.8291 51.2469 40.2481 174.0144 3 A 3.9916 9.1936 122.3285 55.3293 18.7092 180.9444 4 I 3.5907 7.7862 117.7980 64.8457 37.2706 177.9956 5 H 4.1350 8.4402 117.0002 59.2593 28.4944 178.1255 6 R 4.0232 8.2216 119.6023 59.1514 29.8654 179.2096 7 I 3.8223 7.7817 119.8867 64.2603 36.8299 178.4408 8 L 3.8957 7.8412 119.2172 57.9476 41.4415 179.2032 9 M 4.3152 7.9497 118.1823 57.4523 31.9622 177.1091 10 T 4.5145 7.2928 104.5928 61.1807 70.4935 174.3234 11 T 4.0794 7.8075 117.2664 62.1153 67.8455 173.3996 12 D 4.6685 8.4937 124.4202 52.9049 39.7863 176.2431 13 G 3.8280 7.6422 109.4702 44.2409 0.0000 174.4121 14 S 4.0516 8.3432 113.1247 58.8262 63.2969 174.9521 15 I 3.7987 8.3927 129.7211 64.3944 36.9362 178.5347 16 T 3.9055 7.9469 116.3780 66.5308 68.3012 176.3389 17 A 3.9631 8.2649 122.8753 54.9581 18.2439 179.8881 18 I 3.5967 7.3955 117.3806 64.6111 37.1595 178.4627 19 I 3.5806 7.7121 120.5688 64.6162 36.9610 178.3806 20 E 4.4083 8.6650 120.5283 58.9043 29.0553 179.3131 21 A 3.9865 7.9210 119.9465 54.9066 18.4479 179.6911 22 V 3.6679 7.7816 116.5173 66.2573 31.8393 178.0220 23 T 4.0256 7.8677 107.4292 61.8153 68.9934 174.6200 24 Q 3.5183 7.8024 119.0614 56.6310 27.4328 173.3453 25 K 4.6953 7.7123 114.7304 54.0903 35.7956 176.1101 26 K 4.4846 8.3103 120.3418 56.2203 32.7184 177.2030 27 V 4.0780 8.5166 123.6760 62.7970 32.3438 174.6701 28 E 4.6659 9.3783 129.1036 54.4525 31.8840 174.3802 29 V 4.6734 8.4318 126.9198 61.5671 33.2037 174.1537 30 E 4.6730 9.0668 129.2751 54.7699 31.7780 174.5464 31 T 4.5974 8.4873 123.8847 63.1673 68.8838 174.4099 32 L 4.5116 8.8749 126.8998 55.8944 43.3825 176.8295 33 E 4.7248 7.5849 114.6204 55.0251 33.2192 174.5143 34 Q 4.7886 8.3786 122.4102 55.0071 31.9017 173.7773 35 K 4.7833 9.0773 125.1748 54.8141 37.1966 175.4327 36 I 4.8354 8.4422 124.3682 60.5315 37.9985 175.2004 37 I 4.6911 8.9072 120.5928 58.9586 41.2360 174.5438 38 R 4.8103 8.4246 121.6932 54.9667 31.3980 176.3859 39 A 4.1315 8.9408 126.9874 52.1150 19.6125 177.5975 40 D 4.7481 8.5514 123.3491 52.2760 42.3969 177.1806 41 R 3.8196 8.3646 118.2472 59.7498 30.0419 178.1267 42 E 3.9179 8.1027 116.8951 59.3290 29.6257 178.6510 43 L 3.7581 8.7228 121.5282 57.5767 42.1164 178.5462 44 A 3.9784 8.3493 121.2400 55.2637 18.4027 179.4586 45 E 3.8638 8.2907 116.8940 59.5950 29.3905 179.2649 46 L 3.9701 7.7094 118.7564 57.7298 42.2056 178.0847 47 L 4.3651 7.8215 115.5149 53.3388 43.3162 176.1342 48 E 3.7592 7.7275 117.8596 57.2073 27.2382 172.2984 49 I 4.6859 7.8358 110.3811 59.3619 41.7732 174.8714 50 D 4.7228 9.2481 119.7637 52.7659 41.7989 176.1505 51 E 4.1796 8.5107 123.0557 58.0821 29.9143 177.4675 52 G 3.9940 9.2514 114.6229 45.1990 0.0000 173.4486 53 D 4.6308 7.8337 119.9769 54.1576 42.3717 175.5568 54 E 4.7184 8.6829 120.9010 56.2978 31.1855 175.9021 55 V 4.8895 8.8555 123.2100 61.1317 35.5317 173.6668 56 N 5.0314 9.5831 127.3258 53.4084 40.1688 172.8362 57 Y 4.9229 9.2276 129.1468 55.9952 40.7342 174.2244 58 R 4.7744 8.1237 126.7875 54.2531 33.9453 173.8871 59 V 4.5870 8.2035 125.2094 61.1392 34.3680 174.6762 60 V 4.7904 8.7326 119.9059 59.9441 36.5719 173.6957 61 Y 5.3838 8.4198 119.7610 56.6494 40.5566 174.9079 62 L 5.0490 9.0941 123.8408 53.5919 43.6219 175.8904 63 R 5.3220 9.4528 123.5398 54.8259 33.4109 175.3236 64 A 4.3940 8.9290 121.9455 53.4968 22.7739 175.7333 65 N 4.2367 10.4947 122.1652 54.0758 37.7220 175.7222 66 G 4.1694 8.9188 98.9950 46.2415 0.0000 172.4701 67 E 4.6001 8.1528 118.0219 53.7249 31.8043 175.4511 68 I 4.3690 8.0400 121.8139 61.9091 37.1198 175.3620 69 Y 4.5504 8.9129 123.3447 58.5648 39.2462 175.9583 70 A 5.9008 8.1135 119.4540 50.5729 23.2367 174.6513 71 K 5.2723 9.0710 120.8722 54.6961 35.2556 174.7464 72 A 5.2741 9.2289 128.1646 50.3004 22.9491 174.6206 73 I 4.8193 9.1163 123.0534 59.3329 40.3369 174.9553 74 S 5.1270 8.6794 121.4060 56.3709 66.7323 172.9534 75 F 5.3762 9.1641 120.0806 56.1734 42.2722 174.1724 76 T 5.0719 9.0124 120.7897 60.9165 71.4957 171.8880 77 P 4.7142 0.0000 0.0000 62.5860 32.0879 177.9494 78 L 4.0277 8.9042 125.3592 57.6488 41.7979 179.2874 79 K 3.8496 8.1551 118.3971 58.8025 31.9808 176.6952 80 R 4.3668 7.4537 116.1230 56.0943 30.5881 175.7218 81 L 4.3454 7.6163 117.6800 54.5028 42.8608 177.0178 82 E 4.2722 8.3274 122.2277 55.9278 31.5215 177.7664 83 N 4.3867 8.9043 120.0619 56.5924 38.4891 177.8795 84 S 4.2015 8.0693 114.9564 61.6751 63.2428 176.1429 85 F 3.8794 8.3437 124.7493 60.4435 38.8115 176.8826 86 R 3.9739 8.3872 118.0300 59.6103 30.0436 178.2162 87 E 4.1091 7.7684 117.0521 59.3066 29.4535 178.7350 88 D 4.3768 7.6946 118.2665 55.4892 41.2310 176.5031 89 L 4.2147 6.6712 120.0003 53.6723 43.5041 176.3785 *97 G 4.0656 8.3964 111.7277 45.5576 0.0000 175.3887 98 K 4.0138 7.9737 119.1436 59.4278 31.9289 179.1755 99 I 3.6890 7.7483 119.3038 63.8244 36.8374 177.8815 100 M 4.2902 7.8677 119.6390 57.8688 32.1895 178.7325 101 R 4.0524 7.9026 117.6407 59.1272 30.0380 179.1566 102 K 3.9988 7.7920 117.8400 59.3521 32.1569 177.5061 103 H 4.6308 8.1077 113.2324 54.7749 29.0663 174.5464 104 N 4.1907 7.5974 115.8809 54.2098 36.4527 174.9865 105 I 3.9259 8.1539 118.5830 61.1357 37.9387 176.1332 106 E 4.3759 8.6868 125.0793 55.5203 30.4360 175.1869 107 A 4.8829 8.0569 123.6381 51.2850 22.7380 174.6124 108 R 4.7451 8.9284 114.7838 54.5720 33.4501 174.2045 109 R 5.0055 8.5234 119.5299 54.5750 32.4930 174.7636 110 E 4.5317 9.2238 127.3416 54.2081 31.8266 174.6195 111 I 4.2192 8.2648 128.3209 61.3502 36.9887 176.4286 112 R 4.3581 9.1079 128.5972 58.7452 30.7465 177.0794 113 W 5.1405 7.6273 113.1466 55.9274 31.1005 173.5896 114 S 5.5084 8.8264 114.6305 57.5777 65.5355 173.1675 115 R 4.7223 9.3756 116.9593 55.5131 32.9404 173.5577 116 V 4.8150 8.2878 120.7565 61.8894 33.0431 174.5472 117 E 4.7645 8.9913 123.7858 55.4263 33.4917 173.4308 118 E 4.5772 8.7629 121.8288 55.8185 30.2152 175.4333 119 A 3.5256 8.5268 130.0259 52.0528 14.7655 177.5550 120 D 4.4495 7.7353 122.2775 53.3662 41.6009 177.8140 121 L 3.8988 8.6350 122.3100 58.1600 41.9353 179.2701 122 A 3.9317 7.9067 120.3708 55.0879 18.3842 179.0291 123 L 3.8043 7.7911 118.4110 58.1810 42.2300 178.8960 124 A 3.9830 8.2648 120.9554 55.3039 18.1688 179.8792 125 K 3.9155 8.1000 116.7983 59.3691 31.9304 178.8962 126 E 3.9360 8.1949 118.8568 59.7533 29.6286 179.0130 127 L 4.0024 8.1181 117.3238 55.2312 42.1394 177.0022 128 G 3.7267 7.7013 106.5882 46.7360 0.0000 173.3687 129 I 4.5531 7.4012 110.3502 58.7780 40.2897 175.5692 130 A 4.1309 8.8098 125.1188 54.6662 19.2201 177.6321 131 D 4.4439 8.8178 117.8904 54.2594 40.8812 176.1755 132 R 4.2791 8.5093 124.9164 56.8163 30.5635 176.8244 133 R 4.4177 8.2140 119.4981 56.2576 31.1456 176.1226 134 V 5.1226 9.0031 116.9116 59.6366 36.0795 174.5630 135 I 4.9110 8.8468 125.1336 60.2660 38.7665 175.0339 136 S 5.4739 9.3778 121.6885 55.6732 66.1592 173.1711 137 R 4.6753 7.6191 116.4973 54.7650 33.5439 172.9107 138 N 4.9753 7.8613 117.5236 51.8331 42.2770 172.6074 139 Y 5.2737 8.2909 122.7588 55.6850 42.1008 173.5131 140 N 5.2875 8.9965 118.3526 52.3064 41.1835 174.0315 141 I 4.8392 8.9127 123.7117 59.9550 39.5344 174.5562 142 I 4.8697 9.0396 128.7543 59.8241 39.5769 174.3358 143 H 5.0196 9.1239 126.7761 54.9879 33.3921 173.4343 144 R 3.6612 9.4755 123.6920 57.3169 27.6019 177.3467 145 G 3.9481 8.4120 103.1469 45.6038 0.0000 173.9418 146 K 4.6289 7.7123 118.4925 53.6258 35.6043 175.7617 147 V 3.9525 8.3479 120.5887 63.8216 31.7792 175.2348 148 L 4.4138 9.3812 130.3838 56.9882 43.0394 176.8411 149 I 4.9380 7.5060 118.0997 59.6294 41.8711 173.3318 150 N 5.3074 9.0890 125.2194 52.0881 40.9199 173.4304 151 I 4.7211 8.3598 126.9329 59.6417 40.7019 174.3977 152 T 4.6154 8.9722 123.7441 61.6896 70.9312 173.2893 153 E 4.9931 8.4955 125.4767 54.3388 33.5877 174.9958 154 F 4.9619 9.0629 121.3680 55.6774 42.6481 173.9195 155 F 5.7600 9.0804 123.6141 54.8396 41.5928 173.4954 156 P 4.6695 0.0000 0.0000 62.9125 31.5836 176.9528 157 M 4.3230 9.0745 124.9478 58.3260 32.0448 178.8184 158 E 4.1821 8.1981 114.8481 58.7089 29.9042 177.9084 159 R 3.9051 7.8082 117.2090 57.2672 30.4726 176.4822 160 F 4.5017 8.2729 121.6826 57.5137 39.3284 174.9984 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 1 L 8.17 4.35 0.00 1.67 1.76 0.93 0.76 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 2 N 8.67 4.59 0.00 3.09 3.02 0.00 0.00 6.09 6.11 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 3 A 9.19 3.99 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 I 7.79 3.59 1.94 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 1.74 0.89 0.95 0.00 0.00 5 H 8.44 4.14 0.00 3.48 3.36 0.00 5.63 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 6 R 8.22 4.02 0.00 1.86 1.99 0.00 3.14 0.00 0.00 3.19 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.91 0.00 7 I 7.78 3.82 1.95 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 1.49 0.98 0.84 0.00 0.00 8 L 7.84 3.90 0.00 1.68 1.60 -0.14 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 9 M 7.95 4.32 0.00 2.04 2.29 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.84 0.00 10 T 7.29 4.51 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 1.22 0.00 0.00 11 T 7.81 4.08 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 12 D 8.49 4.67 0.00 2.69 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 13 G 7.64 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 0.00 0.00 0.00 14 S 8.34 4.05 0.00 3.88 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 15 I 8.39 3.80 2.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.88 0.00 0.00 16 T 7.95 3.91 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 1.22 0.00 0.00 17 A 8.26 3.96 1.33 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 0.00 0.00 18 I 7.40 3.60 1.91 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.67 0.84 0.00 0.00 19 I 7.71 3.58 1.95 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.87 0.57 0.00 0.00 20 E 8.66 4.41 0.00 2.00 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 2.49 2.34 0.00 21 A 7.92 3.99 1.33 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 0.00 0.00 22 V 7.78 3.67 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 0.87 0.00 0.00 1.01 0.00 0.00 23 T 7.87 4.03 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 0.54 0.00 0.00 24 Q 7.80 3.52 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.73 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 25 K 7.71 4.70 0.00 1.67 1.61 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.51 1.48 7.81 26 K 8.31 4.48 0.00 1.73 1.72 0.00 1.75 0.00 0.00 1.96 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.35 7.81 27 V 8.52 4.08 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 0.74 0.00 0.00 0.91 0.00 0.00 28 E 9.38 4.67 0.00 2.03 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 2.23 2.23 0.00 29 V 8.43 4.67 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 0.87 0.00 0.00 0.96 0.00 0.00 30 E 9.07 4.67 0.00 2.14 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 2.21 2.27 0.00 31 T 8.49 4.60 4.18 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 1.13 0.00 0.00 32 L 8.87 4.51 0.00 1.27 1.50 -0.37 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 33 E 7.58 4.72 0.00 1.94 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.09 0.00 34 Q 8.38 4.79 0.00 1.91 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.79 0.00 0.00 0.00 0.00 0.00 2.20 2.42 0.00 35 K 9.08 4.78 0.00 1.90 1.70 0.00 1.92 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.48 7.81 36 I 8.44 4.84 1.90 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 0.80 0.95 0.00 0.00 37 I 8.91 4.69 1.87 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 1.49 1.19 0.91 0.00 0.00 38 R 8.42 4.81 0.00 1.71 1.90 0.00 3.48 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 39 A 8.94 4.13 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 40 D 8.55 4.75 0.00 2.93 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 41 R 8.36 3.82 0.00 1.88 1.94 0.00 3.17 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 42 E 8.10 3.92 0.00 2.20 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 0.00 2.28 2.30 0.00 43 L 8.72 3.76 0.00 1.56 1.56 0.09 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.35 3.98 1.44 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 0.00 0.00 45 E 8.29 3.86 0.00 2.14 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 2.31 2.62 0.00 46 L 7.71 3.97 0.00 1.59 1.79 0.94 0.83 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 47 L 7.82 4.37 0.00 1.65 1.69 0.95 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 48 E 7.73 3.76 0.00 2.09 1.94 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 2.26 2.37 0.00 49 I 7.84 4.69 2.08 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 1.29 0.65 0.96 0.00 0.00 50 D 9.25 4.72 0.00 2.78 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 51 E 8.51 4.18 0.00 1.91 1.86 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 2.49 2.31 0.00 52 G 9.25 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 53 D 7.83 4.63 0.00 2.73 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 54 E 8.68 4.72 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 2.42 2.32 0.00 55 V 8.86 4.89 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 1.29 0.00 0.00 1.03 0.00 0.00 56 N 9.58 5.03 0.00 2.81 2.73 0.00 0.00 6.43 7.71 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 57 Y 9.23 4.92 0.00 3.05 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 R 8.12 4.77 0.00 1.81 1.46 0.00 2.96 0.00 0.00 2.98 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.49 0.00 59 V 8.20 4.59 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 0.57 0.00 0.00 0.45 0.00 0.00 60 V 8.73 4.79 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 0.60 0.00 0.00 0.98 0.00 0.00 61 Y 8.42 5.38 0.00 2.98 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 62 L 9.09 5.05 0.00 1.76 1.71 1.08 1.20 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 63 R 9.45 5.32 0.00 1.87 1.87 0.00 3.17 0.00 0.00 3.32 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 64 A 8.93 4.39 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 N 10.49 4.24 0.00 2.93 2.80 0.00 0.00 6.81 7.98 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 66 G 8.92 4.17 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 0.00 67 E 8.15 4.60 0.00 1.95 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 2.24 2.50 0.00 68 I 8.04 4.37 1.65 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.28 0.83 0.00 0.00 69 Y 8.91 4.55 0.00 2.86 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 A 8.11 5.90 1.65 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 0.00 0.00 71 K 9.07 5.27 0.00 2.13 1.87 0.00 1.91 0.00 0.00 1.74 0.00 0.00 2.77 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.49 1.56 7.81 72 A 9.23 5.27 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 73 I 9.12 4.82 1.93 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.81 0.78 0.00 0.00 74 S 8.68 5.13 0.00 3.73 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 75 F 9.16 5.38 0.00 3.04 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 76 T 9.01 5.07 4.32 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 1.44 0.00 0.00 77 P 0.00 4.71 0.00 2.10 2.01 0.00 3.86 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.16 0.00 78 L 8.90 4.03 0.00 1.76 1.75 0.95 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 79 K 8.16 3.85 0.00 1.72 1.88 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.46 7.81 80 R 7.45 4.37 0.00 1.78 1.98 0.00 3.42 0.00 0.00 3.26 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 81 L 7.62 4.35 0.00 1.93 1.73 1.15 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 82 E 8.33 4.27 0.00 2.04 1.90 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 2.38 2.31 0.00 83 N 8.90 4.39 0.00 2.76 2.92 0.00 0.00 6.79 7.99 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 84 S 8.07 4.20 0.00 4.20 4.20 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 85 F 8.34 3.88 0.00 3.07 3.21 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 86 R 8.39 3.97 0.00 2.03 2.16 0.00 3.36 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 87 E 7.77 4.11 0.00 2.09 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 2.36 2.57 0.00 88 D 7.69 4.38 0.00 2.50 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 L 6.67 4.21 0.00 1.24 1.46 0.80 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 *97 G 8.40 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 0.00 0.00 0.00 98 K 7.97 4.01 0.00 1.80 1.85 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.53 7.81 99 I 7.75 3.69 1.53 0.00 0.00 0.47 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 0.51 0.15 0.00 0.00 100 M 7.87 4.29 0.00 2.15 2.32 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.81 0.00 101 R 7.90 4.05 0.00 1.87 1.99 0.00 3.14 0.00 0.00 3.35 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.74 0.00 102 K 7.79 4.00 0.00 1.96 1.95 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.49 7.81 103 H 8.11 4.63 0.00 3.34 3.43 0.00 5.82 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 N 7.60 4.19 0.00 2.85 2.88 0.00 0.00 6.94 7.25 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 0.00 105 I 8.15 3.93 1.90 0.00 0.00 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 1.26 0.56 0.70 0.00 0.00 106 E 8.69 4.38 0.00 1.99 1.90 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 2.29 2.32 0.00 107 A 8.06 4.88 1.25 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 0.00 0.00 0.00 108 R 8.93 4.75 0.00 1.86 2.00 0.00 2.74 0.00 0.00 3.10 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 109 R 8.52 5.01 0.00 1.78 1.76 0.00 3.19 0.00 0.00 2.60 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.57 0.00 110 E 9.22 4.53 0.00 2.06 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 2.21 2.26 0.00 111 I 8.26 4.22 1.87 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.86 0.89 0.00 0.00 112 R 9.11 4.36 0.00 1.75 2.11 0.00 3.21 0.00 0.00 3.51 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.75 0.00 113 W 7.63 5.14 0.00 3.30 3.29 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 0.00 114 S 8.83 5.51 0.00 3.92 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 0.00 115 R 9.38 4.72 0.00 1.88 2.09 0.00 2.63 0.00 0.00 2.74 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.80 0.00 116 V 8.29 4.82 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 0.91 0.00 0.00 0.97 0.00 0.00 117 E 8.99 4.76 0.00 2.09 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 2.32 2.43 0.00 118 E 8.76 4.58 0.00 2.02 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 0.00 2.27 2.33 0.00 119 A 8.53 3.53 1.45 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 0.00 0.00 120 D 7.74 4.45 0.00 2.86 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 0.00 121 L 8.64 3.90 0.00 1.77 1.71 0.92 1.03 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 0.00 122 A 7.91 3.93 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 0.00 123 L 7.79 3.80 0.00 1.75 1.77 0.73 0.87 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 0.00 124 A 8.26 3.98 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 K 8.10 3.92 0.00 1.96 1.86 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.63 7.81 126 E 8.19 3.94 0.00 2.04 2.27 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 2.49 2.55 0.00 127 L 8.12 4.00 0.00 1.61 1.67 0.97 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 128 G 7.70 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 0.00 0.00 0.00 129 I 7.40 4.55 1.99 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 0.75 0.88 0.00 0.00 130 A 8.81 4.13 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 0.00 131 D 8.82 4.44 0.00 2.60 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 0.00 132 R 8.51 4.28 0.00 1.86 1.96 0.00 3.26 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 133 R 8.21 4.42 0.00 1.84 1.88 0.00 3.07 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.74 0.00 134 V 9.00 5.12 2.27 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 0.84 0.00 0.00 1.14 0.00 0.00 135 I 8.85 4.91 2.13 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 1.36 0.71 1.09 0.00 0.00 136 S 9.38 5.47 0.00 3.31 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 R 7.62 4.68 0.00 1.74 1.94 0.00 3.48 0.00 0.00 3.45 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.36 0.00 138 N 7.86 4.98 0.00 1.44 1.42 0.00 0.00 7.09 7.03 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 0.00 139 Y 8.29 5.27 0.00 3.05 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 N 9.00 5.29 0.00 2.72 2.79 0.00 0.00 7.07 6.50 0.00 0.00 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 I 8.91 4.84 1.95 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.23 0.97 0.00 0.00 142 I 9.04 4.87 1.89 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 1.15 1.12 0.92 0.00 0.00 143 H 9.12 5.02 0.00 3.11 3.03 0.00 5.93 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 R 9.48 3.66 0.00 1.83 1.87 0.00 3.26 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.27 0.00 145 G 8.41 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 0.00 146 K 7.71 4.63 0.00 1.75 1.66 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.46 7.81 147 V 8.35 3.95 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 0.77 0.00 0.00 0.97 0.00 0.00 148 L 9.38 4.41 0.00 1.62 1.83 0.66 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 149 I 7.51 4.94 1.88 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.52 0.95 0.00 0.00 150 N 9.09 5.31 0.00 2.88 2.77 0.00 0.00 6.75 7.24 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 0.00 151 I 8.36 4.72 0.56 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 1.04 0.31 0.67 0.00 0.00 152 T 8.97 4.62 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 0.93 0.00 0.00 153 E 8.50 4.99 0.00 1.50 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 2.28 2.22 0.00 154 F 9.06 4.96 0.00 2.88 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 0.00 155 F 9.08 5.76 0.00 2.91 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 P 0.00 4.67 0.00 2.26 2.28 0.00 4.33 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.13 0.00 157 M 9.07 4.32 0.00 2.09 2.42 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.23 0.00 158 E 8.20 4.18 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 159 R 7.81 3.91 0.00 1.66 0.95 0.00 2.74 0.00 0.00 2.57 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 1.27 0.00 160 F 8.27 4.50 0.00 3.08 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 * Residues marked with a * may have inaccurate shift predictions.