NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.7013 8.2233 120.4820 54.0003 42.5090 174.5215 6 N 4.6442 8.8064 121.7679 52.6581 39.7171 173.3859 7 K 4.5169 9.0055 121.2628 54.3673 36.8693 174.6611 8 L 4.8192 8.2790 125.6617 54.3215 43.6274 175.0497 9 F 5.4818 9.3784 125.2396 55.6629 42.5310 173.9232 10 L 4.5086 8.9232 125.2764 53.5652 43.7922 175.1654 11 V 5.0126 8.8127 126.3370 61.2704 34.8462 173.3517 12 Y 5.2548 9.4447 129.7629 56.4829 40.2641 174.5058 13 V 4.6453 8.6830 120.8321 59.3918 34.9715 175.3194 14 G 3.9040 8.8137 110.3025 44.0517 0.0000 173.3100 15 G 3.6173 6.9741 106.5431 45.7025 0.0000 171.3953 16 T 4.8329 7.8177 112.7381 60.3013 70.7416 173.1637 17 A 4.8519 7.9405 124.2399 49.5930 22.1075 173.8965 18 P 4.4827 0.0000 0.0000 64.1369 31.6474 177.1080 19 G 3.9752 9.1820 111.7434 45.0125 0.0000 173.0986 20 A 4.5472 7.3846 122.1535 51.2015 19.8690 177.1970 21 N 4.5726 8.7747 119.3979 54.4402 39.2377 175.0121 22 I 4.5941 7.3266 109.4772 58.0514 40.2589 174.3324 23 E 4.3397 8.5634 121.2612 56.4595 30.6948 175.2900 24 L 5.0534 9.5410 125.9811 53.4436 45.1942 175.1013 25 H 5.4795 8.9298 117.2583 54.3727 32.4443 172.2713 26 D 5.0443 9.0898 120.0298 53.0055 45.4879 173.6073 27 I 4.8549 8.3832 123.0139 59.7683 38.8834 175.3533 28 R 4.6753 9.0758 125.6917 54.3241 33.6800 174.5484 29 F 5.1437 8.7101 120.4304 56.0903 40.7793 175.5979 30 V 4.8253 9.0255 115.8194 59.6666 36.4616 174.4526 31 V 4.9029 8.8489 122.8061 61.4295 33.7740 174.8811 32 G 4.2512 8.6381 113.0492 45.1283 0.0000 172.3119 33 P 4.9332 0.0000 0.0000 64.0614 32.7176 176.0349 34 S 4.4009 7.1115 116.3283 58.0714 65.7265 177.4461 *36 E 2.5400 8.9980 118.9637 55.5092 30.6086 176.4721 37 E 4.1492 7.2945 114.8108 57.0724 29.8194 177.0669 38 T 4.2896 7.0711 108.7912 62.0752 70.1373 176.1451 39 Y 4.3371 7.3401 120.4106 61.0436 37.8258 176.6116 40 P 4.2472 0.0000 0.0000 65.6945 31.4775 178.5237 41 A 4.0358 7.9579 118.9524 55.0263 18.2141 179.5143 42 I 3.6570 8.0785 118.6516 64.7326 36.9967 178.8925 43 R 3.9440 7.8863 117.4986 59.1625 29.9593 178.7990 44 K 4.2182 8.1626 118.6737 59.2364 32.2703 178.6657 45 G 3.9330 8.0449 104.7710 45.0839 0.0000 173.6648 46 W 4.4910 7.3649 132.1792 57.1259 30.7883 176.0641 47 F 4.2329 8.1865 121.5233 58.5139 38.5695 176.5711 48 G 3.3015 5.3800 111.9923 45.1413 0.0000 173.1904 49 T 4.3505 8.7977 121.5015 62.8494 69.4816 175.2397 50 Q 4.0705 8.7336 124.9294 58.5147 29.1507 176.3236 51 K 4.0157 7.8758 119.4875 57.9659 32.2050 176.6603 52 G 3.8935 8.9441 115.0951 44.3876 0.0000 172.5435 53 L 3.7412 7.2980 122.6963 55.9989 42.9036 175.7259 54 H 4.9997 8.5480 120.7094 53.6129 32.7171 171.7139 55 L 4.6604 8.7852 122.3994 54.4178 42.9326 176.4935 56 D 5.2963 9.4555 125.9662 54.9340 43.5000 176.1977 57 S 5.4959 8.3853 110.4277 58.1677 66.0119 174.4274 58 F 5.8475 8.6384 115.3770 56.1975 41.8641 173.3578 59 V 5.0647 9.1410 118.6415 60.4083 34.9000 173.7142 60 H 4.7253 10.0839 125.8604 56.0758 30.2016 174.1996 61 L 4.7349 8.8174 130.2003 54.2109 42.1771 175.6391 62 H 4.8838 9.3337 121.2108 55.3343 30.3244 173.2243 63 H 5.2243 8.1012 116.4855 54.2082 32.5709 172.6680 64 V 4.3993 8.5654 123.2358 62.2093 33.9309 175.0553 65 D 4.5508 10.0546 127.3975 55.6382 38.3660 174.7278 66 G 3.8500 8.5734 105.1951 45.1718 0.0000 172.5220 67 Y 5.0411 8.1158 118.3600 55.8683 40.5379 175.1950 68 R 4.2027 9.3618 125.7771 56.1640 31.6191 175.0554 69 I 4.6205 8.2991 127.4926 60.7221 38.2698 174.8936 70 H 5.0505 9.5328 124.4652 53.9057 31.8748 173.2762 71 L 5.4627 8.5780 121.3344 53.2800 44.0706 175.9269 72 T 4.7993 8.7422 113.0355 60.0773 72.1249 175.3981 73 S 4.0298 8.9694 118.6426 60.5089 63.3660 174.6327 74 E 4.6787 7.9661 117.8612 54.2392 32.0679 176.4346 75 A 3.8257 7.4667 125.3170 50.9835 20.9499 175.1779 *79 P 4.1954 0.0000 0.0000 62.7393 32.0899 175.4052 80 E 4.6469 7.6514 118.1211 54.1469 32.1493 175.1561 81 E 4.1028 8.9250 126.5822 58.8732 30.0088 176.7212 82 K 4.9229 7.6945 116.8539 54.8013 35.0405 175.1501 83 R 4.6908 9.1205 121.0171 54.1218 35.3454 174.3786 84 L 4.6725 8.1221 120.3539 55.0380 43.1051 175.8096 85 Y 5.0900 9.2245 120.9543 56.1575 41.8405 174.1391 86 F 5.1531 9.4276 127.5301 57.1402 41.4681 174.3853 87 V 4.4084 8.2221 126.1810 60.9342 33.7860 173.4328 88 N 4.7896 8.0967 127.1277 52.1457 40.3694 173.8125 89 F 4.7946 8.7000 126.2830 56.2810 39.7054 177.1285 90 G 3.7107 8.8480 116.1170 44.7802 0.0000 174.2574 *100 E 3.7632 7.7489 117.2263 56.1731 30.4440 174.6078 101 Y 4.6130 8.1747 124.6846 56.3775 38.2128 174.1168 102 H 4.6133 8.4662 123.6124 56.8824 32.2270 174.3048 103 D 5.1438 8.0549 116.9379 53.5655 40.4987 175.5839 104 F 5.2836 7.5126 113.1473 56.8446 41.2892 172.4429 105 T 4.8047 8.5907 112.6506 61.2175 71.3960 171.9068 106 V 5.0856 8.5267 123.7330 61.2447 33.9774 174.7883 107 V 4.8541 9.1272 120.0861 59.6599 36.3616 174.3125 108 V 4.8775 8.3166 121.9514 61.4243 32.8374 174.6956 109 A 4.8263 9.0182 128.4872 51.0657 22.8053 176.0736 110 D 5.0180 8.7511 117.6010 54.5116 40.6897 177.3304 111 S 4.6314 7.5300 113.4937 55.3377 67.4910 173.0039 112 P 3.6500 0.0000 0.0000 65.9827 31.0192 179.0276 113 Q 3.9893 7.8164 116.4658 58.6850 28.7025 178.4806 114 S 4.1327 7.9006 114.7041 61.0787 63.2394 176.4091 115 A 3.8331 7.7764 124.5363 54.8957 18.0508 179.7850 116 K 3.9305 7.8343 116.6751 59.5028 32.0104 179.7071 117 Q 3.9964 7.8789 118.0120 59.0506 28.4493 178.8356 118 L 4.0605 7.9841 118.7408 57.6601 41.7422 179.1461 119 A 4.2811 8.0169 120.4875 55.1541 17.8437 179.9346 120 R 4.1287 8.2162 116.4840 59.2455 29.9212 179.0099 121 A 3.8320 7.8020 119.4528 54.8078 18.4331 179.2449 122 Q 4.1520 7.6755 114.2665 58.1824 28.8199 177.5997 123 F 4.2949 7.6286 122.2045 60.4873 39.7857 175.8936 124 S 4.0452 7.8707 110.4508 59.1799 65.3261 174.0353 *142 V 3.7175 7.6260 119.7962 62.5780 31.2528 173.6417 143 D 5.0131 8.4596 126.0185 52.4422 44.2043 174.6647 144 D 5.1978 7.9674 119.0452 52.7312 44.0356 174.4355 145 C 5.3194 8.5796 118.1010 56.4141 33.2569 172.6926 146 L 4.8496 9.2568 122.4577 53.4474 45.0746 174.6879 147 C 4.1870 8.6915 126.3379 58.5790 32.0921 174.0022 148 V 3.8565 7.8780 129.2278 61.2331 28.7317 174.3793 149 D 4.6954 8.0800 123.4499 52.3617 41.8488 176.5163 150 L 4.7558 7.6678 120.5259 52.7742 44.1942 175.4111 151 V 4.1887 8.3611 125.5687 62.3006 34.3615 174.9919 152 D 4.4276 9.6969 128.5270 55.9256 38.1930 173.2685 153 N 4.1239 8.0719 107.9320 54.3597 36.8202 174.1027 154 H 5.0612 7.9827 114.6748 54.2028 32.4895 172.5201 155 Y 4.7685 9.4565 121.0139 57.1443 39.7196 174.6162 156 V 4.7522 8.6850 124.6617 61.8169 32.8152 175.1639 157 T 4.9038 8.9140 117.9398 59.9222 71.9045 172.7335 158 L 5.2968 8.7250 124.0710 53.2389 44.1276 175.5773 159 E 4.7976 9.2092 123.2722 54.1611 32.7678 174.4299 160 F 4.3558 9.1194 130.2684 58.3203 39.6991 174.2928 161 D 4.3704 8.2242 123.0064 52.4319 40.8356 176.3807 162 G 3.6102 7.0861 107.8147 45.3496 0.0000 173.9619 163 E 3.9827 7.8745 119.9534 56.3333 29.9638 176.3509 164 Q 4.4843 8.2534 121.5297 54.5762 30.8925 175.1060 165 Q 4.3985 8.2282 120.2206 53.6268 31.5904 172.8157 166 P 4.3572 0.0000 0.0000 63.0102 31.9563 177.0523 167 L 4.5082 8.3038 125.5673 53.6548 40.5332 175.5138 168 V 4.4090 7.3618 113.6271 57.7907 35.7215 174.0724 169 P 4.4971 0.0000 0.0000 63.0395 31.6446 176.8282 170 D 4.4831 8.7659 122.3217 56.7351 41.1669 176.8770 171 W 4.9290 7.1996 126.8982 55.8041 33.5714 172.9835 172 K 4.1616 7.6940 122.9219 54.2388 35.9920 176.7529 173 G 3.7641 6.6572 110.8805 46.1897 0.0000 173.9790 174 Y 4.9012 8.8351 129.3723 56.1546 41.3591 174.1009 175 Q 4.4377 9.1420 128.8234 53.2816 31.3356 172.1583 176 P 4.4563 0.0000 0.0000 62.4671 32.0740 176.3463 177 L 3.7504 8.1746 124.0301 53.3597 42.3054 175.5018 178 P 4.3781 0.0000 0.0000 62.5443 32.1493 176.8120 179 E 4.0630 8.7615 119.7530 59.2310 29.7299 177.6115 180 G 3.7352 7.7132 110.4566 46.1088 0.0000 172.7287 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 5 D 8.22 4.70 0.00 2.62 2.69 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 0.00 0.00 0.00 0.00 6 N 8.81 4.64 0.00 2.64 2.65 0.00 0.00 6.95 6.73 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 7 K 9.01 4.52 0.00 1.30 0.74 0.00 1.60 0.00 0.00 0.93 0.00 0.00 2.74 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.06 1.20 7.81 8 L 8.28 4.82 0.00 1.77 1.71 1.05 0.99 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 9 F 9.38 5.48 0.00 3.02 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 10 L 8.92 4.51 0.00 1.60 1.55 0.84 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.81 5.01 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 0.93 0.00 0.00 0.95 0.00 0.00 12 Y 9.44 5.25 0.00 3.17 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 13 V 8.68 4.65 1.52 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 0.59 0.00 0.00 0.89 0.00 0.00 14 G 8.81 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 15 G 6.97 3.62 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 0.00 0.00 0.00 16 T 7.82 4.83 4.30 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 1.26 0.00 0.00 17 A 7.94 4.85 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 P 0.00 4.48 0.00 2.06 2.02 0.00 3.63 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 19 G 9.18 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 0.00 0.00 0.00 0.00 20 A 7.38 4.55 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.77 4.57 0.00 2.76 2.91 0.00 0.00 6.81 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 22 I 7.33 4.59 1.94 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.75 0.96 0.00 0.00 23 E 8.56 4.34 0.00 2.20 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 2.47 2.67 0.00 24 L 9.54 5.05 0.00 1.88 1.84 1.10 1.01 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 25 H 8.93 5.48 0.00 3.07 2.78 0.00 5.85 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 D 9.09 5.04 0.00 3.21 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 27 I 8.38 4.85 1.49 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.47 -0.04 0.00 0.00 28 R 9.08 4.68 0.00 1.61 1.79 0.00 3.41 0.00 0.00 3.37 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.77 0.00 29 F 8.71 5.14 0.00 2.82 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 30 V 9.03 4.83 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 0.75 0.00 0.00 1.04 0.00 0.00 31 V 8.85 4.90 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 0.52 0.00 0.00 0.93 0.00 0.00 32 G 8.64 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 0.00 0.00 0.00 0.00 33 P 0.00 4.93 0.00 2.18 2.18 0.00 3.35 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.89 0.00 34 S 7.11 4.40 0.00 3.83 3.11 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 *36 E 9.00 2.54 0.00 1.72 1.67 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 1.90 1.98 0.00 37 E 7.29 4.15 0.00 1.87 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 2.20 2.08 0.00 38 T 7.07 4.29 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 1.10 0.00 0.00 39 Y 7.34 4.34 0.00 2.92 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 40 P 0.00 4.25 0.00 2.16 2.11 0.00 3.67 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 2.11 2.17 0.00 41 A 7.96 4.04 1.41 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 0.00 0.00 0.00 42 I 8.08 3.66 2.03 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 1.51 0.83 0.81 0.00 0.00 43 R 7.89 3.94 0.00 1.94 2.09 0.00 3.13 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.73 0.00 44 K 8.16 4.22 0.00 1.91 1.98 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.47 7.81 45 G 8.04 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 46 W 7.36 4.49 0.00 3.26 3.11 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 47 F 8.19 4.23 0.00 2.95 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 48 G 5.38 3.30 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 0.00 0.00 0.00 49 T 8.80 4.35 4.42 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 1.24 0.00 0.00 50 Q 8.73 4.07 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 7.09 0.00 0.00 0.00 0.00 0.00 2.51 2.31 0.00 51 K 7.88 4.02 0.00 1.71 1.73 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.42 7.81 52 G 8.94 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 53 L 7.30 3.74 0.00 1.50 1.24 -0.71 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 54 H 8.55 5.00 0.00 2.49 2.75 0.00 5.50 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 L 8.79 4.66 0.00 1.81 1.70 0.84 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 56 D 9.46 5.30 0.00 2.92 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 57 S 8.39 5.50 0.00 4.05 3.97 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.64 5.85 0.00 3.29 3.30 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 59 V 9.14 5.06 2.48 0.00 0.00 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 1.14 0.00 0.00 60 H 10.08 4.73 0.00 3.20 3.53 0.00 5.76 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.82 4.73 0.00 1.78 1.63 1.11 1.25 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 62 H 9.33 4.88 0.00 3.28 3.32 0.00 5.48 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 H 8.10 5.22 0.00 3.07 3.23 0.00 5.84 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 64 V 8.57 4.40 2.17 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 1.20 0.00 0.00 1.03 0.00 0.00 65 D 10.05 4.55 0.00 3.07 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 66 G 8.57 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 Y 8.12 5.04 0.00 3.09 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 68 R 9.36 4.20 0.00 1.97 1.73 0.00 2.90 0.00 0.00 2.96 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.39 0.00 69 I 8.30 4.62 1.84 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 1.24 0.70 0.91 0.00 0.00 70 H 9.53 5.05 0.00 3.15 3.19 0.00 5.55 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 L 8.58 5.46 0.00 1.51 1.60 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 72 T 8.74 4.80 4.30 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 1.25 0.00 0.00 73 S 8.97 4.03 0.00 3.91 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 0.00 74 E 7.97 4.68 0.00 1.90 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.28 0.00 75 A 7.47 3.83 0.52 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 0.00 0.00 *79 P 0.00 4.20 0.00 2.06 2.07 0.00 3.58 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.05 0.00 80 E 7.65 4.65 0.00 1.86 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 2.22 2.40 0.00 81 E 8.93 4.10 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 82 K 7.69 4.92 0.00 1.45 1.50 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.43 7.81 83 R 9.12 4.69 0.00 1.55 1.38 0.00 3.01 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.53 0.00 84 L 8.12 4.67 0.00 1.58 1.43 0.87 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 85 Y 9.22 5.09 0.00 2.87 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 86 F 9.43 5.15 0.00 3.05 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 87 V 8.22 4.41 1.67 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 0.46 0.00 0.00 0.82 0.00 0.00 88 N 8.10 4.79 0.00 2.77 2.59 0.00 0.00 6.79 7.06 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 89 F 8.70 4.79 0.00 3.14 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 90 G 8.85 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 0.00 0.00 0.00 *100 E 7.75 3.76 0.00 1.85 1.85 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 2.15 2.38 0.00 101 Y 8.17 4.61 0.00 2.86 1.99 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 0.00 102 H 8.47 4.61 0.00 3.23 3.29 0.00 5.92 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 D 8.05 5.14 0.00 2.96 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 0.00 104 F 7.51 5.28 0.00 2.69 2.97 0.00 0.00 0.00 0.00 0.00 0.00 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 8.59 4.80 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 1.22 0.00 0.00 106 V 8.53 5.09 2.29 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 1.03 0.00 0.00 1.40 0.00 0.00 107 V 9.13 4.85 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 0.69 0.00 0.00 0.99 0.00 0.00 108 V 8.32 4.88 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 0.03 0.00 0.00 0.88 0.00 0.00 109 A 9.02 4.83 1.11 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 0.00 0.00 110 D 8.75 5.02 0.00 2.81 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 0.00 111 S 7.53 4.63 0.00 4.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 P 0.00 3.65 0.00 2.10 2.11 0.00 3.54 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.33 0.00 113 Q 7.82 3.99 0.00 2.03 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.91 0.00 0.00 0.00 0.00 0.00 2.40 2.36 0.00 114 S 7.90 4.13 0.00 4.02 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 0.00 115 A 7.78 3.83 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 0.00 116 K 7.83 3.93 0.00 1.96 1.84 0.00 1.62 0.00 0.00 1.61 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.54 7.81 117 Q 7.88 4.00 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.53 0.00 118 L 7.98 4.06 0.00 1.61 1.77 0.94 1.01 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 0.00 119 A 8.02 4.28 1.41 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 0.00 0.00 0.00 120 R 8.22 4.13 0.00 2.12 2.04 0.00 3.27 0.00 0.00 3.20 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.78 0.00 121 A 7.80 3.83 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 0.00 122 Q 7.68 4.15 0.00 2.39 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.92 0.00 0.00 0.00 0.00 0.00 2.46 2.67 0.00 123 F 7.63 4.29 0.00 2.67 3.01 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 0.00 124 S 7.87 4.05 0.00 3.90 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 *142 V 7.63 3.72 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.93 0.00 0.00 143 D 8.46 5.01 0.00 2.66 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.97 5.20 0.00 2.58 2.46 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 0.00 0.00 0.00 0.00 145 C 8.58 5.32 0.00 3.10 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 0.00 146 L 9.26 4.85 0.00 1.84 1.74 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 147 C 8.69 4.19 0.00 2.85 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 0.00 148 V 7.88 3.86 1.69 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 0.18 0.00 0.00 0.22 0.00 0.00 149 D 8.08 4.70 0.00 2.84 2.72 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 0.00 150 L 7.67 4.76 0.00 1.43 1.41 0.79 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 151 V 8.36 4.19 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 1.11 0.00 0.00 0.85 0.00 0.00 152 D 9.70 4.43 0.00 2.83 2.69 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 0.00 0.00 0.00 0.00 153 N 8.07 4.12 0.00 2.81 2.80 0.00 0.00 6.99 8.16 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 0.00 154 H 7.98 5.06 0.00 3.21 3.16 0.00 5.80 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 Y 9.46 4.77 0.00 2.99 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 V 8.68 4.75 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 0.74 0.00 0.00 0.92 0.00 0.00 157 T 8.91 4.90 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 1.29 0.00 0.00 158 L 8.73 5.30 0.00 1.61 1.79 0.74 0.85 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 0.00 159 E 9.21 4.80 0.00 2.12 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 2.26 2.30 0.00 160 F 9.12 4.36 0.00 2.57 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 0.00 161 D 8.22 4.37 0.00 2.53 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 0.00 162 G 7.09 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 E 7.87 3.98 0.00 1.95 1.54 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 2.21 2.15 0.00 164 Q 8.25 4.48 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.72 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 165 Q 8.23 4.40 0.00 1.94 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.91 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 166 P 0.00 4.36 0.00 2.23 2.06 0.00 3.83 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.96 0.00 167 L 8.30 4.51 0.00 1.73 1.76 1.14 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 168 V 7.36 4.41 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 0.76 0.00 0.00 0.92 0.00 0.00 169 P 0.00 4.50 0.00 1.79 1.94 0.00 3.29 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.05 0.00 170 D 8.77 4.48 0.00 2.32 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 W 7.20 4.93 0.00 3.13 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 0.00 172 K 7.69 4.16 0.00 1.52 1.42 0.00 1.56 0.00 0.00 1.48 0.00 0.00 2.62 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.98 1.09 7.81 173 G 6.66 3.76 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 0.00 0.00 0.00 174 Y 8.84 4.90 0.00 2.93 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 0.00 175 Q 9.14 4.44 0.00 2.23 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.74 0.00 0.00 0.00 0.00 0.00 1.99 2.17 0.00 176 P 0.00 4.46 0.00 1.89 1.88 0.00 3.71 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 2.10 2.15 0.00 177 L 8.17 3.75 0.00 1.17 1.10 0.54 0.42 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 0.00 178 P 0.00 4.38 0.00 2.01 1.96 0.00 3.25 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 179 E 8.76 4.06 0.00 1.93 1.97 0.00 0.00 0.00 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 2.22 0.00 180 G 7.71 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.