NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 S 4.5352 8.3349 115.5539 57.5031 63.5246 173.0412 9 I 4.5764 7.2610 118.4443 59.4296 42.1711 171.6527 10 N 5.3171 9.1572 123.0555 51.5174 41.9323 173.4162 11 A 4.6921 9.0186 126.5900 49.8425 21.7206 175.1509 12 K 4.6196 8.7301 124.8904 56.4923 33.4341 175.1584 13 L 5.0917 9.4057 131.1295 53.3194 44.4590 175.0033 14 V 4.9454 8.3107 126.0173 61.4733 32.6331 174.4254 15 L 5.0051 8.4824 127.1508 53.8127 43.2824 175.6427 16 L 4.4313 8.9047 121.4900 52.8985 46.4366 173.8767 17 G 4.3935 9.3601 108.8490 44.3669 0.0000 172.7947 18 D 4.7564 8.7874 123.8359 52.1524 39.8100 176.4956 19 V 3.7493 8.3365 112.7373 63.6889 31.4817 177.1312 20 G 3.9718 9.0873 111.5820 45.4857 0.0000 174.5434 21 A 3.9377 8.3937 121.8816 52.7110 19.0722 177.4580 22 G 4.2043 7.9292 105.4768 44.2831 0.0000 175.5474 23 K 3.9269 8.0777 120.2824 60.0635 32.8707 178.3545 24 S 4.1941 8.0684 116.0343 61.3467 62.7589 176.4459 25 S 4.1823 8.1927 116.4522 61.7845 62.2939 175.6179 26 L 4.0380 8.5151 124.2884 58.1439 41.0556 178.7373 27 V 4.0743 8.0466 116.9285 63.0152 31.4631 177.8831 28 L 4.0997 7.9462 120.7810 57.6749 41.2335 178.7565 29 R 4.0098 7.6085 117.8187 58.4073 30.2994 177.5745 30 F 4.4655 7.5960 115.5143 57.6953 39.6131 175.2048 31 V 3.5701 7.3799 106.9751 61.8414 31.3919 178.0820 *45 A 3.8178 9.1763 129.8598 52.8115 19.3546 177.4580 46 A 4.3479 8.2058 124.1074 52.6351 20.3892 176.1552 47 F 5.2604 7.4004 116.6942 55.2513 42.4024 174.2702 48 F 4.9278 7.2836 121.8911 55.9693 43.5350 173.3882 49 S 5.1988 8.5402 117.3803 57.2847 65.3057 173.7687 50 Q 4.3829 8.9103 123.8707 55.6019 32.7263 172.8696 51 T 5.5716 8.4651 123.5245 61.3535 70.0753 173.8297 52 L 4.8705 8.3330 127.2171 53.0231 46.1918 174.5617 53 A 5.5202 8.6086 124.7461 49.3058 21.5564 176.0551 54 V 4.3591 8.3610 114.4733 61.2512 36.4928 175.0500 55 N 3.9884 9.5922 118.9452 56.0131 35.5577 173.4765 56 D 4.2659 7.8896 110.7618 53.7752 39.6897 173.8769 57 A 4.5884 7.7917 122.2894 51.2803 20.4142 176.4051 58 T 4.8973 8.3917 118.8209 61.6780 70.7755 174.0812 59 V 4.2452 8.3185 126.2117 59.7591 34.6372 175.0236 60 K 4.7594 7.9578 124.0441 54.5542 33.6732 174.1087 61 F 5.2145 9.3768 126.9712 57.2487 40.2570 174.2274 62 E 4.9030 9.9530 126.7122 54.8598 31.0615 174.9062 63 I 4.7131 8.7388 130.3195 60.1055 38.7195 175.6143 64 W 4.9340 9.8741 130.5207 55.0684 29.5541 175.6949 65 D 4.9113 8.6766 125.2209 54.3394 41.6389 174.9229 66 T 4.3173 7.7542 110.4832 59.7829 72.4233 173.6025 67 A 4.4446 8.0652 124.2565 50.1129 18.0673 177.5261 68 G 4.0576 8.7078 111.9990 49.3220 0.0000 172.2228 69 Q 4.1227 7.9118 118.8060 55.9821 29.6684 177.5058 70 E 3.9450 8.7652 121.2466 59.3452 29.8354 178.8650 71 R 4.0380 7.6576 112.3549 57.6465 29.8629 176.1574 72 Y 4.8389 7.3634 115.2916 57.8273 39.2199 176.6102 73 H 4.1945 8.2295 120.8914 60.0470 30.0044 177.0170 74 S 4.5660 8.1583 108.6846 59.1709 62.6575 175.1557 75 L 4.4265 8.3347 123.4396 56.8828 41.9167 178.4802 76 A 3.8424 8.3744 121.4769 55.0860 17.8809 177.8336 77 P 3.1661 0.0000 0.0000 65.9186 31.2705 178.4044 78 M 3.9875 8.2222 115.9796 58.2334 31.8511 177.6519 79 Y 4.5361 8.3535 115.8663 58.8174 38.9580 176.3999 80 Y 4.7257 6.8180 117.1385 56.2263 39.7162 176.5059 81 R 4.5010 7.4991 121.2956 54.1866 28.0644 174.9989 82 G 3.6686 8.0667 105.6726 45.0888 0.0000 171.7747 83 A 4.1453 7.8373 123.3979 51.6866 19.2926 178.4843 84 A 4.4890 8.8642 123.7217 53.7471 20.6128 177.0479 85 A 5.2012 7.7974 114.6908 50.7892 23.4845 175.2730 86 A 4.8428 8.9794 120.7427 50.7371 22.9243 175.6593 87 I 4.4178 8.5464 124.7771 59.9254 38.3166 175.0086 88 I 4.3960 8.6545 129.9906 60.6327 38.1404 175.4662 89 V 5.4140 10.0208 128.1225 60.7213 34.4402 174.3186 90 F 5.3106 8.1622 119.4061 56.1438 42.2486 172.0299 91 D 4.9227 9.0314 118.8233 52.7081 41.4140 177.0050 92 V 4.0542 8.2188 120.4226 64.9332 31.8917 179.2761 93 T 3.6726 8.0015 108.2673 64.2403 69.6228 174.8429 94 N 4.7615 8.1416 121.6858 54.9935 37.7738 176.5718 95 Q 3.6685 7.5466 123.8966 58.7468 31.1172 178.7025 96 A 3.9729 8.4377 120.0331 55.6447 18.1264 179.6332 97 S 4.2727 8.8972 112.6149 61.2286 63.0178 176.5592 98 F 2.3382 8.2585 124.8537 60.8165 39.0492 176.9239 99 E 3.2730 7.7882 117.4793 59.2338 29.2944 179.5141 100 R 3.6910 7.5260 117.5200 58.9137 30.0624 178.8959 101 A 4.3043 8.0737 121.1517 54.9977 18.2743 179.5163 102 K 3.7986 7.5693 116.9548 59.7872 32.1323 179.2725 103 K 3.7217 7.7630 118.3166 59.7617 31.9281 179.0273 104 W 4.6244 7.8606 118.4390 59.8012 28.9771 178.4062 105 V 3.6478 8.1198 117.9132 66.3688 31.0049 178.0009 106 Q 4.2356 8.3671 119.0947 58.4823 28.5765 178.4647 107 E 4.0010 8.3591 119.9941 59.4946 29.4743 178.8362 108 L 3.6943 8.4066 119.1353 58.0083 41.6566 179.5483 109 Q 3.9624 8.2522 117.7473 58.9049 28.3744 178.8839 110 A 4.1664 7.9526 120.8822 55.4290 18.6853 178.4822 111 Q 4.2509 8.6585 116.6160 57.6405 28.8783 179.2749 112 G 3.8841 7.2518 114.8261 44.8776 0.0000 172.4346 113 N 4.4421 8.4621 116.4789 52.3999 37.6126 174.2108 114 P 4.3066 0.0000 0.0000 63.4768 30.8131 176.3844 115 N 4.7387 8.0221 114.1973 53.1578 38.7587 174.3551 116 M 4.9099 7.6832 119.4993 54.3103 33.0177 175.7717 117 V 3.9043 8.5135 127.1951 63.0447 31.8928 174.2888 118 M 4.9133 8.8049 127.8312 53.7779 33.9958 174.6020 119 A 3.9667 9.2682 127.3597 49.7139 21.9952 175.2092 120 L 5.2137 7.6769 122.5376 52.2020 44.2902 174.9442 121 A 4.0277 8.3590 129.3333 51.0196 19.4552 177.4016 122 G 3.8312 7.2749 113.1828 44.2198 0.0000 172.8360 123 N 4.3585 7.9679 121.2858 54.7962 40.6730 173.8457 124 K 4.3592 8.1885 119.5256 58.1878 28.5939 176.6147 125 S 4.7772 7.5232 108.5125 58.2974 64.2433 176.2115 126 D 4.3756 8.0963 122.7125 57.5903 41.0277 176.5211 127 L 4.4570 7.6686 120.8981 54.2004 40.6960 176.6033 128 L 4.3812 8.3897 122.9714 55.3118 42.4989 177.3569 129 D 4.7282 7.9276 118.3737 55.7192 42.9361 177.6068 130 A 4.2835 7.9248 118.3879 52.9440 18.6285 177.4965 131 R 4.1027 7.3030 115.4654 56.4961 30.8269 175.5096 132 K 4.3728 8.5539 120.8398 57.9354 34.5003 177.0821 133 V 3.6955 7.1495 117.5174 62.4666 32.1100 176.4966 134 T 4.3573 8.0692 117.5589 60.2744 71.4944 175.6655 135 A 4.0849 8.3006 121.7957 55.3324 18.3510 179.2823 136 E 3.7535 8.0870 117.1724 59.8982 29.7283 177.5486 137 D 4.1518 7.8432 116.4919 58.4424 41.0662 178.5381 138 A 3.7264 7.6336 119.2248 54.7399 18.3436 179.5165 139 Q 3.7084 7.1999 117.8472 59.5117 29.0099 178.4655 140 T 3.8454 7.9247 116.7092 66.9621 68.5564 175.8960 141 Y 4.5934 7.8942 121.8899 60.1041 38.6270 177.7597 142 A 4.0446 8.3031 121.6741 55.4366 18.3394 179.1675 143 Q 3.9572 8.4456 117.7609 59.4012 29.1755 178.4149 144 E 3.9770 8.9916 120.5408 59.2210 29.4332 179.2558 145 N 4.7321 7.7904 114.0926 52.6122 41.3438 175.3374 146 G 3.9016 7.5875 104.7705 45.2468 0.0000 173.2337 147 L 4.6219 7.6273 116.0352 55.1191 44.4669 176.0531 148 F 5.0154 8.2057 115.9619 55.7838 40.5516 174.1414 149 F 5.2516 8.8897 120.2740 56.7704 42.5510 173.7017 150 M 4.4361 7.2291 121.9227 52.7549 35.4362 176.7711 151 E 4.0205 8.1300 123.7930 56.0157 27.6986 176.8411 152 T 3.7323 7.1619 110.4688 61.6327 69.6319 174.0673 153 S 4.4349 8.4103 121.3969 56.3136 63.5257 172.2551 154 A 3.9976 8.4295 132.6012 54.3897 18.2026 177.6650 155 K 4.1983 7.7356 115.6640 55.9270 32.5674 177.6788 156 T 4.4535 7.8080 104.1039 59.6949 69.9491 175.0306 157 A 3.7937 8.3218 122.4557 53.0618 17.2975 178.1168 158 T 3.9136 7.5969 113.4962 64.6662 69.1517 175.6383 159 N 4.4954 8.8637 119.0939 53.7712 37.5026 176.7183 160 V 3.5767 7.7967 117.3641 65.7791 31.3895 177.6038 161 K 4.2838 8.1050 117.7636 59.7157 32.0017 178.9974 162 E 4.1407 8.2500 118.2894 59.2649 29.4165 178.6455 163 I 3.8495 7.2827 118.0921 64.4557 37.8446 177.7372 164 F 4.0896 7.7739 117.3799 60.8062 38.6678 176.7348 165 Y 4.3399 7.4492 114.2098 61.4413 38.0630 178.4643 166 E 4.0105 9.2182 120.7794 59.4894 29.6149 178.6358 167 I 3.8438 8.3586 119.9933 64.6394 36.9651 177.9821 168 A 4.0075 8.4296 120.8842 55.2125 18.2293 179.1788 169 R 4.0316 7.7202 116.0232 59.5224 30.2086 177.5520 170 R 4.4054 7.3274 114.2698 56.0018 30.1920 176.2225 171 L 4.3328 7.6670 119.2993 53.3702 42.4746 175.1044 172 P 4.4293 0.0000 0.0000 63.0750 31.3263 176.1039 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 8 S 8.33 4.54 0.00 3.89 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 9 I 7.26 4.58 1.82 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.84 0.90 0.00 0.00 10 N 9.16 5.32 0.00 2.56 2.75 0.00 0.00 6.71 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 11 A 9.02 4.69 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 12 K 8.73 4.62 0.00 1.76 1.59 0.00 0.98 0.00 0.00 1.47 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.02 0.73 7.81 13 L 9.41 5.09 0.00 1.65 1.45 0.15 0.76 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 14 V 8.31 4.95 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 1.02 0.00 0.00 1.05 0.00 0.00 15 L 8.48 5.01 0.00 1.68 1.53 1.04 0.49 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 16 L 8.90 4.43 0.00 0.98 0.13 0.63 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 17 G 9.36 4.39 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 0.00 18 D 8.79 4.76 0.00 3.01 2.98 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 19 V 8.34 3.75 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 0.77 0.00 0.00 0.99 0.00 0.00 20 G 9.09 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 0.00 0.00 0.00 21 A 8.39 3.94 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 G 7.93 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 0.00 0.00 0.00 23 K 8.08 3.93 0.00 2.02 2.10 0.00 1.70 0.00 0.00 1.80 0.00 0.00 3.09 0.00 0.00 3.36 0.00 0.00 0.00 0.00 1.53 1.58 7.81 24 S 8.07 4.19 0.00 3.95 4.04 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 0.00 0.00 0.00 25 S 8.19 4.18 0.00 4.07 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 26 L 8.52 4.04 0.00 1.79 1.91 0.84 0.93 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 27 V 8.05 4.07 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 1.02 0.00 0.00 1.07 0.00 0.00 28 L 7.95 4.10 0.00 2.02 1.77 0.99 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 29 R 7.61 4.01 0.00 1.77 1.99 0.00 3.31 0.00 0.00 3.15 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 30 F 7.60 4.47 0.00 3.04 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 31 V 7.38 3.57 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 0.05 0.00 0.00 0.69 0.00 0.00 *45 A 9.18 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.21 4.35 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 47 F 7.40 5.26 0.00 2.70 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 F 7.28 4.93 0.00 2.82 2.63 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 49 S 8.54 5.20 0.00 3.76 3.79 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 50 Q 8.91 4.38 0.00 2.10 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.79 0.00 0.00 0.00 0.00 0.00 1.93 2.22 0.00 51 T 8.47 5.57 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 1.24 0.00 0.00 52 L 8.33 4.87 0.00 1.60 1.25 0.81 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 53 A 8.61 5.52 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 54 V 8.36 4.36 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 0.89 0.00 0.00 1.01 0.00 0.00 55 N 9.59 3.99 0.00 2.83 2.78 0.00 0.00 7.06 8.08 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 56 D 7.89 4.27 0.00 2.85 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 57 A 7.79 4.59 1.31 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 0.00 0.00 0.00 58 T 8.39 4.90 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 1.19 0.00 0.00 59 V 8.32 4.25 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 0.21 0.00 0.00 0.48 0.00 0.00 60 K 7.96 4.76 0.00 2.03 1.74 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.35 1.38 7.81 61 F 9.38 5.21 0.00 3.18 2.89 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 62 E 9.95 4.90 0.00 2.25 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 0.00 2.84 3.00 0.00 63 I 8.74 4.71 2.02 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 1.33 0.91 1.09 0.00 0.00 64 W 9.87 4.93 0.00 3.30 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 0.00 65 D 8.68 4.91 0.00 2.72 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 T 7.75 4.32 3.81 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 1.09 0.00 0.00 67 A 8.07 4.44 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 68 G 8.71 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 69 Q 7.91 4.12 0.00 2.29 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.76 0.00 0.00 0.00 0.00 0.00 2.48 2.46 0.00 70 E 8.77 3.94 0.00 2.00 1.87 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 2.30 2.27 0.00 71 R 7.66 4.04 0.00 1.70 1.80 0.00 2.61 0.00 0.00 2.96 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.50 0.00 72 Y 7.36 4.84 0.00 3.26 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 73 H 8.23 4.19 0.00 3.29 3.41 0.00 5.78 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 S 8.16 4.57 0.00 4.09 4.04 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 0.00 0.00 0.00 75 L 8.33 4.43 0.00 1.89 1.93 1.04 0.83 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 76 A 8.37 3.84 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 77 P 0.00 3.17 0.00 2.11 2.11 0.00 3.57 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 2.30 0.00 78 M 8.22 3.99 0.00 1.85 2.23 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.60 0.00 79 Y 8.35 4.54 0.00 2.97 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 80 Y 6.82 4.73 0.00 3.08 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 81 R 7.50 4.50 0.00 1.96 1.84 0.00 3.20 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 82 G 8.07 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 A 7.84 4.15 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 84 A 8.86 4.49 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 85 A 7.80 5.20 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 86 A 8.98 4.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 I 8.55 4.42 1.71 0.00 0.00 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 0.87 0.34 0.71 0.00 0.00 88 I 8.65 4.40 1.95 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 1.22 1.04 1.22 0.00 0.00 89 V 10.02 5.41 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 0.86 0.00 0.00 0.97 0.00 0.00 90 F 8.16 5.31 0.00 3.23 3.24 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 91 D 9.03 4.92 0.00 2.90 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 V 8.22 4.05 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 0.85 0.00 0.00 1.01 0.00 0.00 93 T 8.00 3.67 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 1.25 0.00 0.00 94 N 8.14 4.76 0.00 3.00 2.88 0.00 0.00 6.56 7.28 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 95 Q 7.55 3.67 0.00 2.17 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.75 0.00 0.00 0.00 0.00 0.00 2.44 2.53 0.00 96 A 8.44 3.97 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 97 S 8.90 4.27 0.00 4.27 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 F 8.26 2.34 0.00 2.20 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 99 E 7.79 3.27 0.00 1.91 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 2.29 2.25 0.00 100 R 7.53 3.69 0.00 1.83 1.90 0.00 3.11 0.00 0.00 3.07 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.72 0.00 101 A 8.07 4.30 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 K 7.57 3.80 0.00 1.64 1.72 0.00 0.61 0.00 0.00 0.99 0.00 0.00 2.54 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.30 0.45 7.81 103 K 7.76 3.72 0.00 1.67 1.58 0.00 1.39 0.00 0.00 1.38 0.00 0.00 2.77 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.29 1.45 7.81 104 W 7.86 4.62 0.00 3.66 3.12 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 0.00 0.00 0.00 105 V 8.12 3.65 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 1.15 0.00 0.00 106 Q 8.37 4.24 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.52 0.00 0.00 0.00 0.00 0.00 2.42 2.48 0.00 107 E 8.36 4.00 0.00 2.27 2.38 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 2.57 2.53 0.00 108 L 8.41 3.69 0.00 1.85 1.55 0.78 -0.20 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 0.00 109 Q 8.25 3.96 0.00 2.27 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.36 2.53 0.00 110 A 7.95 4.17 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 0.00 111 Q 8.66 4.25 0.00 2.08 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.83 0.00 0.00 0.00 0.00 0.00 2.72 2.77 0.00 112 G 7.25 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 0.00 0.00 0.00 0.00 113 N 8.46 4.44 0.00 2.96 2.97 0.00 0.00 5.98 7.76 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 0.00 114 P 0.00 4.31 0.00 2.06 2.10 0.00 3.65 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 2.02 2.10 0.00 115 N 8.02 4.74 0.00 2.89 2.83 0.00 0.00 6.82 7.70 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 0.00 116 M 7.68 4.91 0.00 1.98 2.07 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 2.54 2.33 0.00 117 V 8.51 3.90 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 1.02 0.00 0.00 118 M 8.80 4.91 0.00 1.96 1.95 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.47 0.00 119 A 9.27 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 120 L 7.68 5.21 0.00 1.86 1.78 1.28 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 121 A 8.36 4.03 1.08 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 0.00 0.00 0.00 0.00 0.00 122 G 7.27 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 0.00 123 N 7.97 4.36 0.00 2.78 2.71 0.00 0.00 7.43 6.84 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 0.00 124 K 8.19 4.36 0.00 2.09 2.03 0.00 2.05 0.00 0.00 1.62 0.00 0.00 3.05 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.30 7.81 125 S 7.52 4.78 0.00 3.97 3.92 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 0.00 126 D 8.10 4.38 0.00 2.73 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 0.00 127 L 7.67 4.46 0.00 1.64 1.66 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 128 L 8.39 4.38 0.00 1.64 1.71 0.93 1.10 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 0.00 129 D 7.93 4.73 0.00 2.70 2.65 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 0.00 130 A 7.92 4.28 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 0.00 131 R 7.30 4.10 0.00 1.87 1.86 0.00 3.22 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 132 K 8.55 4.37 0.00 1.91 1.78 0.00 1.82 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.50 1.53 7.81 133 V 7.15 3.70 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 0.61 0.00 0.00 0.84 0.00 0.00 134 T 8.07 4.36 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 1.18 0.00 0.00 135 A 8.30 4.08 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 0.00 136 E 8.09 3.75 0.00 2.03 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 2.35 2.36 0.00 137 D 7.84 4.15 0.00 2.65 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 0.00 138 A 7.63 3.73 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 Q 7.20 3.71 0.00 2.29 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.75 0.00 0.00 0.00 0.00 0.00 2.43 2.49 0.00 140 T 7.92 3.85 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 0.00 141 Y 7.89 4.59 0.00 3.32 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 A 8.30 4.04 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 0.00 0.00 0.00 0.00 0.00 143 Q 8.45 3.96 0.00 2.38 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.69 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 144 E 8.99 3.98 0.00 1.78 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 2.31 2.51 0.00 145 N 7.79 4.73 0.00 2.31 2.63 0.00 0.00 7.08 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 0.00 146 G 7.59 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 0.00 147 L 7.63 4.62 0.00 1.82 1.60 0.98 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 148 F 8.21 5.02 0.00 3.38 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 0.00 149 F 8.89 5.25 0.00 3.02 3.14 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 0.00 0.00 0.00 0.00 150 M 7.23 4.44 0.00 1.65 1.75 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.48 0.00 151 E 8.13 4.02 0.00 1.92 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 2.61 2.38 0.00 152 T 7.16 3.73 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 1.00 0.00 0.00 153 S 8.41 4.43 0.00 3.82 3.79 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 0.00 154 A 8.43 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 0.00 155 K 7.74 4.20 0.00 1.72 1.81 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.38 7.81 156 T 7.81 4.45 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 1.22 0.00 0.00 157 A 8.32 3.79 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 0.00 158 T 7.60 3.91 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 1.21 0.00 0.00 159 N 8.86 4.50 0.00 2.93 2.85 0.00 0.00 7.26 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 V 7.80 3.58 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 0.93 0.00 0.00 1.01 0.00 0.00 161 K 8.11 4.28 0.00 1.99 2.13 0.00 1.84 0.00 0.00 2.02 0.00 0.00 3.07 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.80 1.69 7.81 162 E 8.25 4.14 0.00 2.09 2.03 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 2.41 2.45 0.00 163 I 7.28 3.85 1.69 0.00 0.00 0.55 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 1.33 0.26 0.00 0.00 164 F 7.77 4.09 0.00 2.82 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 0.00 165 Y 7.45 4.34 0.00 3.32 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 0.00 166 E 9.22 4.01 0.00 1.94 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.51 0.00 167 I 8.36 3.84 2.31 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.40 1.15 0.00 0.00 168 A 8.43 4.01 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 0.00 169 R 7.72 4.03 0.00 1.87 2.09 0.00 3.41 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 170 R 7.33 4.41 0.00 1.84 1.96 0.00 3.24 0.00 0.00 3.19 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.69 0.00 171 L 7.67 4.33 0.00 1.66 1.63 1.00 1.15 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 0.00 172 P 0.00 4.43 0.00 2.19 2.05 0.00 3.83 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 2.00 2.08 0.00 * Residues marked with a * may have inaccurate shift predictions.