NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 V 4.3693 7.9133 120.4120 63.0964 33.7957 177.5373 8 S 4.1669 7.9559 115.7336 60.6676 62.7684 175.1582 9 G 3.5431 8.7648 109.3425 47.7134 0.0000 175.2404 10 I 3.8735 7.8385 122.0901 64.3396 37.1403 178.2594 11 S 4.3868 8.1350 115.0690 61.9897 62.8819 176.8398 12 A 4.2481 8.1078 123.1557 55.2611 18.0321 179.1251 13 Y 4.3849 8.3928 118.1390 61.0883 38.9319 178.1180 14 L 3.8483 8.6510 120.3601 57.8132 41.7357 179.3948 15 L 3.9780 8.7484 120.5698 57.8824 41.9311 179.2935 16 G 3.3515 8.1320 105.8810 47.4751 0.0000 175.8528 17 L 3.8911 7.6030 121.3294 57.5425 41.3669 179.6213 18 I 3.6429 7.7404 119.4163 64.2449 37.0388 178.3034 19 I 3.9826 7.7881 120.0772 64.0311 37.0788 178.2690 20 G 4.0202 7.9473 105.8921 46.6010 0.0000 174.2279 21 D 4.6248 7.3514 124.5938 52.3255 43.2803 175.1346 22 G 4.2400 7.7879 117.0414 45.8814 0.0000 169.5733 23 G 3.7360 7.0008 112.6595 46.2306 0.0000 170.9734 24 L 5.0878 7.4387 119.6503 52.9369 43.4866 176.0697 25 Y 5.0379 9.6138 121.5657 56.0489 42.2140 174.7458 26 K 4.4768 8.9973 124.3188 54.8744 33.2708 174.7680 27 L 4.7962 9.1418 128.8681 52.4097 44.7184 176.2647 28 K 4.3441 8.5169 123.4966 56.5445 32.0216 175.0920 29 Y 4.5473 8.0156 129.5179 58.2008 39.7101 174.7412 30 K 4.4637 7.3816 116.5855 55.6165 37.9321 178.0229 31 G 3.8354 8.1105 111.1187 47.3278 0.0000 173.8973 32 N 4.7574 8.8805 120.2578 52.5649 38.9194 174.3707 33 R 4.3297 8.4370 120.9554 56.3269 31.3400 175.4600 34 S 5.2872 8.6168 119.9844 56.6522 67.2055 172.6095 35 E 4.5840 9.7321 122.6671 54.7502 32.4765 174.4845 36 Y 4.5901 8.7734 124.8207 57.0606 39.0334 173.8148 37 R 5.1825 9.9288 127.0269 54.4603 32.9811 174.5782 38 V 4.7904 8.8222 126.8559 61.4903 33.3387 174.5840 39 V 5.6191 8.9459 127.7078 60.2632 35.2168 174.2402 40 I 4.8343 8.2339 126.0772 60.0363 40.9601 174.0574 41 T 5.2028 8.4667 123.8790 62.2559 70.9311 174.3488 42 Q 4.5562 8.8625 122.8665 54.8862 33.3578 175.4271 43 K 3.8422 9.1751 124.3405 59.6334 32.0056 177.3774 44 S 4.2663 8.0062 114.8566 57.6572 62.7744 174.0391 45 E 3.2251 8.6791 129.0164 59.2673 28.9547 178.3075 46 N 4.5838 7.9260 115.7164 55.4605 38.6222 177.0991 47 L 4.0655 7.6801 121.8302 58.2583 42.1456 179.1185 48 I 3.7639 7.3965 118.9493 64.0556 36.8268 178.3468 49 K 4.0110 8.2022 119.7034 59.3680 32.2839 178.1776 50 Q 4.5013 8.8481 115.3223 56.1972 29.5438 174.8249 51 H 4.8327 7.8045 117.9501 57.8384 32.0655 175.3329 52 I 3.7999 8.4854 119.8913 64.2906 37.3578 177.7324 53 A 4.1902 8.7510 123.0958 54.9238 18.6609 176.7405 54 P 4.4471 0.0000 0.0000 66.0272 31.6923 179.3550 55 L 4.0770 7.5829 113.0127 55.7872 41.1364 178.6719 *57 Q 4.2032 8.2033 121.7746 56.2530 30.8597 176.8371 58 F 4.1293 8.3988 119.3173 61.2681 39.2927 176.5862 59 L 3.5477 7.9742 119.5415 58.2285 41.8666 178.6293 60 I 3.5670 7.7914 119.0839 64.9589 36.5415 177.9405 61 D 4.2660 8.3079 119.5089 57.0057 40.3455 178.5078 62 E 3.6951 7.8275 119.7860 58.7719 29.7014 178.0214 63 L 4.0729 7.7472 116.1165 53.6469 42.5095 175.8168 64 N 3.9950 7.3187 115.4516 54.3662 37.6048 174.2737 65 V 4.0451 7.6851 117.0403 61.6247 32.4114 175.6697 66 K 4.1837 8.5407 126.0502 57.4365 32.5160 177.3977 67 S 4.1908 7.8438 113.8437 58.3083 62.8511 173.4233 68 K 4.5262 8.2912 125.2918 55.2241 33.7800 175.7259 69 I 4.5916 7.9837 121.0453 60.3696 38.7433 175.2056 70 Q 4.6547 8.9779 126.7838 54.3028 32.3385 173.9316 71 I 5.0018 8.5286 126.4206 59.7829 39.3904 174.8187 72 V 4.3421 8.7581 128.0232 60.9919 33.7647 174.3568 73 K 4.2094 8.6955 129.2452 55.0295 32.9769 176.0228 74 G 3.9178 8.1396 118.6613 43.8949 0.0000 171.4069 75 D 4.3989 8.2851 119.2440 53.9787 40.2629 174.9929 76 T 3.8287 8.8935 115.0735 61.0112 68.2164 171.5985 77 R 4.7798 7.3239 117.9933 54.1103 34.0326 173.2569 78 Y 5.1503 8.4543 115.5499 56.3705 41.6857 174.9377 79 E 5.2242 9.5432 121.2043 54.5058 33.7164 174.5962 80 L 5.0832 9.0554 125.8444 53.5132 44.4235 175.3086 81 R 5.3449 9.3131 125.2101 54.6159 34.4196 175.5688 82 V 4.5101 8.4600 121.2329 61.9594 34.4794 174.4058 83 S 5.2245 8.8218 125.7881 58.0189 62.8646 173.6454 84 S 4.5063 9.1080 119.8488 55.8722 65.6437 174.7572 85 K 3.4468 8.9739 128.3008 59.3257 31.9977 178.9249 86 K 3.9856 7.8988 118.2906 59.4402 32.0578 178.9375 87 L 4.0135 8.3967 120.9934 58.2343 42.0293 178.1836 88 Y 4.2451 8.4021 119.5963 61.2038 38.6936 177.7038 89 Y 4.1278 8.6014 120.3977 60.6813 38.6778 176.7714 90 Y 4.0060 8.3208 120.2505 60.9508 38.9015 178.0321 91 F 4.3572 8.1759 116.9989 59.8831 39.3023 177.4926 92 A 4.0043 7.8040 120.8155 54.8022 18.2025 179.5755 93 N 4.5808 7.8977 116.9170 53.2682 39.1400 176.2970 *95 L 4.1200 7.9496 121.0928 54.3365 43.8783 177.5312 96 E 4.0654 7.7043 116.8067 59.4222 29.9691 179.1454 97 R 4.2769 7.6974 117.6537 55.9044 30.7391 178.8133 98 I 2.8128 7.5197 120.1451 63.7428 38.3751 177.7698 99 R 4.0213 7.8173 118.2196 59.0942 29.9694 177.1699 100 L 4.4733 7.6000 115.1351 54.6405 41.6282 176.9512 101 F 4.5730 8.3432 119.3413 57.9685 41.0218 172.2405 102 N 4.3902 9.5309 125.7303 53.8516 35.4817 177.8143 *104 R 4.1647 9.1177 119.1005 55.9072 32.7492 177.2958 105 E 3.8650 9.1567 118.2885 59.0164 29.3564 179.1107 106 Q 3.7999 7.9269 118.2714 58.9334 28.5998 178.9610 107 I 3.7988 7.6503 120.0777 64.1995 37.2326 178.1279 108 A 4.0928 7.8363 121.7454 55.1467 18.2553 179.1802 109 F 4.6104 8.9291 119.5764 62.0761 39.5711 177.4603 110 I 3.8286 8.2966 119.1641 64.2770 36.8056 178.4206 111 K 4.2590 8.5474 120.9333 59.5065 31.9890 179.2125 112 G 3.4235 8.4569 106.1492 47.3200 0.0000 175.5643 113 L 3.9407 7.8303 122.7450 58.2393 42.0219 178.4357 114 Y 4.0228 8.2035 119.4115 60.3857 38.5882 177.6102 115 V 3.8715 8.2337 118.6350 65.5758 31.6723 177.6434 116 A 4.3446 8.1743 120.3825 54.6419 18.3789 178.1176 117 E 4.5467 7.5226 110.6507 55.7038 31.6142 176.3173 118 G 2.5072 8.0139 108.6867 43.9157 0.0000 173.8800 119 D 4.4734 8.0189 119.6618 53.6392 40.5432 177.2072 120 K 4.2654 8.6232 127.0806 59.0510 31.9635 178.7314 121 T 4.0843 8.5366 115.9166 64.1635 68.7036 176.2269 122 L 3.9850 8.3470 119.3121 55.1524 39.6398 175.6054 123 K 4.2044 7.7782 120.9660 58.7083 32.9132 177.6308 124 R 4.6790 8.5533 118.0268 54.1837 32.8614 175.5773 125 L 5.1813 8.5449 122.1930 51.5261 42.2904 175.0253 126 R 5.0352 8.2085 117.3444 54.0776 33.1786 174.9922 127 I 4.6961 8.2930 120.5513 59.4304 40.9693 174.4316 128 W 5.3830 8.9641 125.6464 55.2652 32.2898 174.4752 129 N 4.7985 9.0583 118.8005 53.0899 42.0711 175.3741 130 K 4.7967 9.0897 123.3108 57.1336 32.8916 177.0380 131 N 4.6492 8.4750 119.5683 51.3649 38.1520 174.7099 132 K 3.1759 7.9704 125.2941 59.0575 32.3057 177.6424 133 A 3.8639 7.8811 120.1779 55.0600 18.0274 179.1857 134 L 3.8081 7.7366 118.3472 58.0338 42.1598 179.0184 135 L 3.9514 7.6391 118.4968 57.8171 41.6627 179.1994 136 E 3.8387 8.0826 118.5530 59.1065 28.9075 178.9829 137 I 3.5230 7.0603 117.6945 63.0624 37.9214 178.1100 138 V 3.2743 7.0081 119.1599 65.7585 31.4358 177.8284 139 S 4.0990 8.4791 113.3283 61.4572 62.2699 176.1455 140 R 4.0411 7.8340 120.8380 58.8835 29.5284 178.5381 141 W 4.5351 7.8341 118.6639 59.6405 29.0383 178.5456 142 L 4.2409 8.3853 119.0917 58.0196 41.1424 179.2434 143 N 4.5196 8.3837 116.4357 56.4076 38.2200 176.9849 144 N 4.4386 8.1481 117.3731 55.9091 39.0595 175.8855 145 L 4.5891 7.3518 116.9316 53.9487 41.9291 177.0095 146 G 3.8499 7.9735 106.6990 45.8642 0.0000 173.3606 147 V 4.4723 7.7192 119.6618 60.9398 32.8225 175.8444 148 R 4.4488 9.2842 128.2742 56.2060 31.1629 175.3878 149 N 5.4971 8.4935 119.2513 51.9384 40.3505 173.5680 150 T 4.7918 9.3433 110.2212 60.0577 72.4419 172.6693 151 I 5.0244 7.9208 123.2417 60.0546 40.8163 174.6475 152 H 4.5878 8.9478 116.8852 54.3114 32.1748 172.6969 153 L 3.5723 9.0365 124.2939 56.4714 41.7218 175.6902 154 D 4.4527 9.0448 127.1557 56.1238 41.6725 175.9215 155 D 4.6816 7.7747 123.6472 53.0197 41.6307 176.0770 156 H 4.0005 8.8146 124.8691 58.5990 29.3845 178.1238 157 R 3.7927 8.1219 118.5172 59.6902 29.8628 176.7756 158 H 4.6274 7.9165 111.3509 54.7726 29.4562 175.3728 159 G 3.6365 7.2652 107.2668 46.4848 0.0000 174.1716 160 V 4.4821 7.8049 118.6443 61.4070 33.4538 175.3777 161 Y 4.9461 9.1975 126.5317 57.1928 40.0969 175.0042 162 V 4.6881 8.3729 120.3709 59.7928 35.0795 174.1208 163 L 5.0059 8.9831 126.0381 53.5851 44.0975 174.4621 164 N 5.2099 9.6386 125.3993 51.6116 41.0412 174.0627 165 I 4.4159 8.2560 125.3492 59.8167 38.0673 176.1083 166 S 4.1713 8.7948 122.8841 58.8445 63.0572 175.1083 167 L 4.1131 8.6170 121.6005 57.9465 41.7454 178.9819 168 R 4.3700 7.4839 114.2329 56.9414 29.7601 176.3419 169 D 4.8909 8.0411 117.1273 53.4042 42.9520 177.9486 170 R 3.8848 8.3828 120.5878 59.8306 30.1124 177.9753 171 I 3.7222 7.7538 119.0865 64.1587 37.0329 177.9679 172 K 3.8743 8.1381 120.0288 59.5624 31.8614 178.3698 173 F 4.0896 8.1998 120.4671 61.5422 39.5845 177.5494 174 V 3.2978 7.7744 111.9672 64.5480 31.0657 178.1047 175 H 4.2414 8.6533 117.5709 59.5415 29.7639 177.1290 176 T 4.0041 7.7838 117.0579 65.8705 68.5449 176.2315 177 I 4.0276 7.2991 112.2633 61.1986 37.9121 175.9170 178 L 4.5205 7.1126 121.7840 55.4366 42.7789 177.3135 *179 S 4.2715 8.2450 120.5051 58.4284 62.9276 176.2586 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 V 7.91 4.37 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 1.03 0.00 0.00 1.23 0.00 0.00 8 S 7.96 4.17 0.00 3.97 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 0.00 9 G 8.76 3.54 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 0.00 10 I 7.84 3.87 2.08 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 1.68 0.81 1.14 0.00 0.00 11 S 8.14 4.39 0.00 4.21 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 12 A 8.11 4.25 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 13 Y 8.39 4.38 0.00 3.25 3.34 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 14 L 8.65 3.85 0.00 2.20 1.84 1.20 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.75 3.98 0.00 2.23 2.24 0.98 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.13 3.35 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 L 7.60 3.89 0.00 1.73 1.57 0.58 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 18 I 7.74 3.64 1.74 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.34 0.68 0.00 0.00 19 I 7.79 3.98 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 1.69 1.03 0.97 0.00 0.00 20 G 7.95 4.02 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 0.00 0.00 0.00 21 D 7.35 4.62 0.00 2.71 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 0.00 0.00 0.00 0.00 22 G 7.79 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 0.00 0.00 0.00 0.00 23 G 7.00 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 24 L 7.44 5.09 0.00 1.11 0.79 0.65 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 9.61 5.04 0.00 2.90 2.82 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 0.00 0.00 0.00 26 K 9.00 4.48 0.00 1.52 1.51 0.00 1.41 0.00 0.00 1.48 0.00 0.00 2.56 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.34 0.21 7.81 27 L 9.14 4.80 0.00 1.55 1.52 0.92 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.52 4.34 0.00 1.70 1.71 0.00 1.74 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.41 7.81 29 Y 8.02 4.55 0.00 2.88 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 30 K 7.38 4.46 0.00 1.26 1.38 0.00 0.61 0.00 0.00 1.13 0.00 0.00 2.69 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.10 0.85 7.81 31 G 8.11 3.84 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 0.00 0.00 0.00 32 N 8.88 4.76 0.00 2.72 2.85 0.00 0.00 6.73 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 33 R 8.44 4.33 0.00 2.09 2.01 0.00 3.26 0.00 0.00 3.24 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.89 0.00 34 S 8.62 5.29 0.00 3.46 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 35 E 9.73 4.58 0.00 1.82 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 2.22 2.23 0.00 36 Y 8.77 4.59 0.00 3.00 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 37 R 9.93 5.18 0.00 1.87 2.01 0.00 3.15 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 38 V 8.82 4.79 2.36 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 0.87 0.00 0.00 1.19 0.00 0.00 39 V 8.95 5.62 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 1.12 0.00 0.00 40 I 8.23 4.83 1.87 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.57 0.89 0.00 0.00 41 T 8.47 5.20 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 1.27 0.00 0.00 42 Q 8.86 4.56 0.00 2.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 2.30 2.52 0.00 43 K 9.18 3.84 0.00 1.78 1.94 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.76 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.64 1.46 7.81 44 S 8.01 4.27 0.00 3.88 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 45 E 8.68 3.23 0.00 1.16 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 0.00 2.01 1.56 0.00 46 N 7.93 4.58 0.00 2.77 2.83 0.00 0.00 6.78 6.74 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 47 L 7.68 4.07 0.00 1.84 1.75 1.01 1.15 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 48 I 7.40 3.76 1.93 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.91 0.94 0.00 0.00 49 K 8.20 4.01 0.00 1.82 1.80 0.00 1.78 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.55 7.81 50 Q 8.85 4.50 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.52 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 51 H 7.80 4.83 0.00 3.17 3.45 0.00 5.86 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 I 8.49 3.80 1.90 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 1.24 0.68 0.92 0.00 0.00 53 A 8.75 4.19 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 54 P 0.00 4.45 0.00 2.22 2.16 0.00 3.64 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.96 0.00 0.00 73 K 8.70 4.21 0.00 1.39 1.69 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.46 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.24 1.18 7.81 74 G 8.14 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 0.00 0.00 0.00 75 D 8.29 4.40 0.00 2.74 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 76 T 8.89 3.83 4.22 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 1.17 0.00 0.00 77 R 7.32 4.78 0.00 1.85 1.83 0.00 3.09 0.00 0.00 3.31 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 78 Y 8.45 5.15 0.00 3.14 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 79 E 9.54 5.22 0.00 1.97 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 2.24 2.22 0.00 80 L 9.06 5.08 0.00 1.72 1.64 0.96 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 1.98 1.87 0.00 3.28 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.75 0.00 125 L 8.54 5.18 0.00 1.44 1.31 0.86 0.80 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 0.00 126 R 8.21 5.04 0.00 0.97 1.49 0.00 2.88 0.00 0.00 3.29 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.92 0.00 127 I 8.29 4.70 1.83 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.07 0.94 0.00 0.00 128 W 8.96 5.38 0.00 3.04 3.25 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 0.00 129 N 9.06 4.80 0.00 2.78 2.64 0.00 0.00 7.25 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 K 9.09 4.80 0.00 1.87 2.06 0.00 1.87 0.00 0.00 2.30 0.00 0.00 2.77 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.43 7.81 131 N 8.48 4.65 0.00 2.67 2.83 0.00 0.00 6.69 6.77 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 0.00 132 K 7.97 3.18 0.00 0.79 1.27 0.00 1.57 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.18 0.95 7.81 133 A 7.88 3.86 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 0.00 134 L 7.74 3.81 0.00 1.67 1.77 0.90 0.82 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 0.00 135 L 7.64 3.95 0.00 1.76 1.61 0.99 0.96 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 0.00 136 E 8.08 3.84 0.00 1.88 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 2.18 2.22 0.00 137 I 7.06 3.52 1.51 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.17 -0.33 0.75 0.00 0.00 138 V 7.01 3.27 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 1.03 0.00 0.00 0.97 0.00 0.00 139 S 8.48 4.10 0.00 3.92 3.96 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 0.00 140 R 7.83 4.04 0.00 2.06 1.98 0.00 3.18 0.00 0.00 3.21 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 141 W 7.83 4.54 0.00 3.73 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 L 8.39 4.24 0.00 2.02 1.87 1.20 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 143 N 8.38 4.52 0.00 2.84 2.91 0.00 0.00 6.70 6.20 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 0.00 144 N 8.15 4.44 0.00 3.01 3.11 0.00 0.00 7.20 7.39 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 0.00 145 L 7.35 4.59 0.00 1.76 1.69 0.99 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 146 G 7.97 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 0.00 147 V 7.72 4.47 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 1.05 0.00 0.00 148 R 9.28 4.45 0.00 2.02 1.83 0.00 3.24 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 149 N 8.49 5.50 0.00 2.75 2.72 0.00 0.00 5.90 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 0.00 150 T 9.34 4.79 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 0.00 151 I 7.92 5.02 1.87 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.65 0.96 0.00 0.00 152 H 8.95 4.59 0.00 3.17 3.34 0.00 5.29 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 0.00 153 L 9.04 3.57 0.00 1.62 1.60 -0.11 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 154 D 9.04 4.45 0.00 2.72 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 0.00 155 D 7.77 4.68 0.00 2.79 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 0.00 156 H 8.81 4.00 0.00 3.17 3.29 0.00 5.68 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 0.00 157 R 8.12 3.79 0.00 1.64 1.75 0.00 3.11 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.58 0.00 158 H 7.92 4.63 0.00 3.13 3.27 0.00 5.86 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 0.00 159 G 7.27 3.64 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 0.00 0.00 0.00 160 V 7.80 4.48 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 1.20 0.00 0.00 1.01 0.00 0.00 161 Y 9.20 4.95 0.00 3.03 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 0.00 162 V 8.37 4.69 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 0.51 0.00 0.00 -0.05 0.00 0.00 163 L 8.98 5.01 0.00 1.58 1.64 0.85 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 164 N 9.64 5.21 0.00 2.54 2.61 0.00 0.00 6.54 7.20 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 0.00 165 I 8.26 4.42 1.62 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.12 0.83 0.00 0.00 166 S 8.79 4.17 0.00 3.81 3.96 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 0.00 167 L 8.62 4.11 0.00 1.73 1.75 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 168 R 7.48 4.37 0.00 1.93 1.96 0.00 3.27 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 169 D 8.04 4.89 0.00 2.88 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 0.00 170 R 8.38 3.88 0.00 1.89 1.94 0.00 3.20 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 1.73 1.76 0.00 171 I 7.75 3.72 1.88 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 1.53 0.91 0.89 0.00 0.00 172 K 8.14 3.87 0.00 1.90 1.97 0.00 1.74 0.00 0.00 1.94 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.56 1.56 7.81 173 F 8.20 4.09 0.00 3.17 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 0.00 174 V 7.77 3.30 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 0.91 0.00 0.00 0.98 0.00 0.00 175 H 8.65 4.24 0.00 3.10 3.54 0.00 5.94 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 T 7.78 4.00 4.22 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 1.15 0.00 0.00 177 I 7.30 4.03 1.60 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.09 0.30 0.00 0.00 178 L 7.11 4.52 0.00 1.72 1.57 0.87 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 *179 S 8.25 4.27 0.00 3.60 3.68 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.