NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.5161 8.3349 116.8151 58.7187 64.0352 172.6079 1 L 4.4152 8.2545 118.9324 55.6636 43.2440 175.5870 2 I 5.0985 8.4826 119.3184 59.7350 41.7594 174.6039 3 R 4.6876 8.9610 124.3604 54.3402 34.5436 173.9523 4 I 4.8703 8.3703 122.4269 59.3169 40.9519 174.3106 5 G 4.5527 9.0886 114.6628 44.9958 0.0000 170.7022 6 H 5.4657 8.8136 119.8554 54.2080 33.3094 172.6138 7 G 4.3588 9.0632 111.0294 44.6357 0.0000 171.2504 8 F 5.5104 8.5576 122.9947 56.7310 42.5038 172.9784 9 D 4.5854 8.3317 124.6800 52.4992 45.0309 173.9896 10 V 4.7471 7.9701 122.2854 61.2825 35.2970 174.0511 11 H 4.7527 9.2021 125.8223 54.2076 32.5169 172.0681 12 A 4.2996 8.1471 127.9771 51.1191 19.4522 176.7650 13 F 4.6479 8.3823 121.5962 57.6104 39.6102 175.2685 14 G 4.5361 8.8502 108.9888 44.5347 0.0000 171.1387 15 E 5.0548 8.9625 117.6531 54.3744 33.1542 174.4512 16 D 5.7195 8.6757 119.9679 52.8536 44.5210 175.4379 17 R 4.8659 8.9811 117.4309 54.2702 33.2068 172.3347 18 P 5.0489 0.0000 0.0000 62.6933 32.6842 175.2632 19 L 4.8972 9.0500 121.6186 53.1089 46.3572 175.4401 20 I 4.8445 8.3420 122.1401 59.8838 38.8353 175.4289 21 I 4.4409 8.9079 128.5455 60.3861 40.1392 176.0595 22 G 3.9230 9.6562 113.7894 46.6858 0.0000 174.5896 23 G 3.9148 8.5322 106.2839 45.0538 0.0000 174.2870 24 V 4.3730 7.4941 119.3527 60.6352 33.9632 173.6137 25 E 4.8627 8.5747 126.3818 55.5939 30.3849 175.7729 26 V 4.7284 9.1032 120.1633 58.7401 35.9289 173.2748 27 P 4.7795 0.0000 0.0000 62.8539 32.6006 174.8374 28 Y 4.5988 9.2407 123.7682 56.1803 41.5258 173.3072 29 H 5.2818 8.4024 126.6752 55.0368 31.7666 173.7986 30 T 4.3966 9.2432 122.6040 63.1299 71.0344 175.0230 31 G 3.9472 8.7730 112.1506 43.9042 0.0000 172.1893 32 F 3.9925 8.5414 120.2240 58.2005 39.6561 175.1920 33 I 3.6341 7.3872 128.5445 60.7192 37.2846 175.9198 34 A 4.3490 8.3571 128.9798 53.0696 18.7374 176.8897 35 H 4.9708 8.4150 113.3801 55.3679 30.7164 173.4075 36 S 4.4939 7.4544 113.1502 58.9515 64.7871 174.6807 37 D 4.5538 8.8439 122.0541 53.1924 39.4761 176.6642 38 G 3.5300 7.6682 106.8788 46.9000 0.0000 175.6071 39 D 4.5236 8.0768 121.4381 52.7933 38.7091 176.6228 40 V 4.3059 8.1167 119.0142 63.1703 31.8592 177.5198 41 A 3.9382 7.9025 119.9668 55.2998 18.3023 179.5994 42 L 4.0033 7.8591 117.6277 58.0718 41.7194 179.4638 43 H 4.2346 8.4456 116.2690 58.7729 28.5839 177.7429 44 A 3.9648 8.3329 122.9751 55.0150 18.2483 179.4351 45 L 3.8970 7.9319 118.9342 58.5380 42.1538 179.3499 46 T 3.9046 8.2045 115.9414 66.7991 68.3116 176.4297 47 D 4.3523 8.1156 120.4543 57.1928 40.8409 178.6662 48 A 4.1127 8.1935 121.4312 55.2507 18.0884 179.8468 49 I 3.6973 7.8736 118.3032 64.5358 37.2449 178.7482 50 L 4.0994 8.1337 119.9324 57.4089 41.3703 179.8791 51 G 3.5376 8.3354 106.1456 47.6912 0.0000 175.7582 52 A 4.5294 8.1828 123.3345 53.7518 18.4407 178.5829 53 A 3.9962 7.4032 116.0268 50.9487 19.3653 176.7796 54 A 3.6488 7.6269 119.1408 53.4662 16.5953 178.1525 55 L 4.5635 8.6177 117.3683 56.0041 43.0750 177.1093 56 G 4.0378 8.9313 109.9372 44.4280 0.0000 176.2675 57 D 4.7481 8.4149 125.4834 50.9678 42.2442 175.3960 58 I 3.8049 9.1968 119.9980 63.8582 37.8109 177.2152 59 G 3.6692 8.4981 108.5375 47.4808 0.0000 174.3517 60 K 4.4518 8.0337 121.6812 55.4949 31.0276 174.7356 61 L 4.1674 7.5827 119.1990 55.5057 44.3145 177.7758 62 F 5.0020 7.6617 118.3977 54.9845 41.0370 174.3401 63 P 4.5423 0.0000 0.0000 62.7587 30.5834 177.3809 *71 N 4.7853 8.2226 117.3100 54.3214 40.4592 175.9562 72 A 4.1332 7.8820 120.2333 54.4481 19.3398 176.8727 73 D 4.5517 7.8826 116.8719 54.2773 41.7875 177.2189 74 S 4.2088 9.3041 124.3562 61.8876 62.9890 176.8742 75 R 4.2318 8.0643 120.5011 59.0608 29.6974 179.4996 76 G 3.6008 8.1143 105.7000 47.9625 0.0000 175.8696 77 L 4.1368 8.0238 121.8321 57.2290 41.7263 179.2541 78 L 3.9828 8.4993 120.7705 58.2298 41.9609 179.3537 79 R 4.0720 7.9564 117.7498 59.0989 30.0885 178.5153 80 E 3.9919 8.5012 119.0188 59.2216 29.6138 178.7726 81 A 3.9430 8.3240 121.1256 55.1992 18.4826 179.4336 82 F 4.1733 8.3142 118.7602 60.8245 39.4006 177.5737 83 R 3.7762 8.1543 118.8919 59.6151 29.4647 178.5517 84 Q 4.3307 7.9233 119.0823 58.3514 28.5303 178.9436 85 V 3.6392 7.6090 119.5192 65.9586 31.5117 178.1945 86 Q 4.1678 7.4925 119.2852 58.2994 28.3618 178.2289 87 E 4.0869 8.2072 119.6255 59.1467 29.2155 178.6080 88 K 4.4403 7.3889 115.1409 56.1695 32.3485 177.5931 89 G 3.6540 8.5590 108.4583 45.5229 0.0000 172.7114 90 Y 5.3666 7.5188 116.9017 56.0434 41.4242 174.5009 91 K 4.8875 9.4321 119.2807 55.3422 36.9121 175.4125 92 I 4.1724 8.6904 121.8786 61.8806 37.1619 176.3345 93 G 3.9700 9.1789 115.7796 47.0188 0.0000 173.6660 94 N 4.7224 7.2716 117.0826 52.0524 39.7368 173.3867 95 V 5.0196 8.4726 113.6959 59.7417 36.3862 174.1965 96 D 5.1159 8.9200 122.3865 52.7672 44.4375 173.9956 97 I 4.8957 8.8204 126.9632 59.8204 40.2618 174.8303 98 T 4.9293 9.3284 123.7432 61.8514 71.0831 173.1259 99 I 4.2811 8.6630 128.8410 60.6389 38.9883 175.4436 100 I 4.9150 9.0215 128.3320 59.8659 38.6269 174.2955 101 A 4.8388 8.4645 127.3820 49.7180 22.3694 176.2958 102 Q 4.2061 8.3359 122.3531 55.4716 28.2011 175.3823 103 A 4.8507 7.3538 121.0425 49.5558 22.1747 173.5124 104 P 4.2126 0.0000 0.0000 63.7363 31.6093 176.9644 105 K 4.3588 8.0488 118.5624 52.3370 34.1703 178.6707 *107 R 4.4101 8.4747 123.1462 55.2449 31.5669 175.1384 108 P 4.4617 0.0000 0.0000 63.9193 31.3189 176.0771 109 H 4.9109 7.7831 114.1643 55.2332 30.6871 175.4511 110 I 3.8082 7.7125 120.8940 64.6404 37.2951 177.2459 111 D 4.4446 8.2285 119.2043 57.4499 40.8478 178.6353 112 A 4.2802 7.6031 119.5103 52.6343 18.1041 179.5267 *114 R 4.2027 8.2241 119.8145 57.8722 32.3549 178.0109 115 A 3.9884 8.0741 119.3940 55.3047 18.2724 179.9221 116 K 3.9581 7.8450 117.0118 59.4830 32.0964 179.8297 117 I 3.6641 7.6680 119.5121 64.2396 37.1791 178.0013 118 A 3.9313 8.4888 121.9950 55.0736 18.1312 179.1711 119 E 3.7953 8.2180 117.6176 59.7737 29.6077 178.9888 120 D 4.3990 7.9317 117.3065 56.3035 40.8901 177.7269 121 L 3.3676 7.4624 117.2990 52.6589 43.0809 176.3985 122 Q 3.1674 7.4148 117.5957 56.5616 26.5458 171.3112 123 C 4.7147 7.8642 110.5782 56.7414 33.6428 173.3763 124 D 4.5872 8.7237 118.7337 53.4570 41.4111 177.0510 125 I 3.7487 8.2026 124.6706 63.0493 38.2180 177.1468 126 E 4.0449 9.2154 120.7221 58.7429 29.7748 176.9421 127 Q 4.4891 8.3048 117.4509 55.4844 28.8834 174.5243 128 V 4.7878 7.5805 118.3102 61.2345 33.9264 174.2374 129 N 5.1579 9.1647 126.6315 51.8705 42.2306 173.2915 130 V 4.9720 8.2165 123.7459 61.3425 34.6903 173.9138 131 K 4.8940 9.4524 126.1085 55.0962 36.6374 174.7413 132 A 5.1354 8.4633 121.2337 50.5935 22.0860 175.1349 133 T 4.8315 9.2519 116.0487 60.6073 71.7851 172.2032 134 T 5.0269 8.4483 113.8287 59.6121 72.3035 173.4474 135 T 4.4168 8.2274 109.0525 61.5272 69.5464 174.4228 136 E 3.7203 8.9689 118.2588 58.4336 27.4730 176.1514 137 K 4.1548 8.5615 114.3709 56.6550 31.2906 176.8694 138 L 4.4090 7.8793 119.8684 54.1332 43.3577 177.5043 139 G 4.2616 8.4792 110.3472 44.7816 0.0000 174.5058 140 F 4.5018 8.6788 114.7016 59.5990 37.5279 177.5166 141 T 4.3678 6.4444 111.3677 63.8570 68.5574 176.9289 142 G 3.8886 7.6249 108.7211 46.8321 0.0000 174.9026 143 R 4.2694 8.2273 117.6979 55.4631 30.5796 176.2403 144 Q 3.8310 7.8662 116.8551 57.2915 26.2156 174.4158 145 E 4.3721 8.6664 118.3294 57.1775 30.3318 176.6802 146 G 2.8761 6.9115 106.1951 44.9265 0.0000 171.3211 147 I 4.7751 7.2530 111.2438 59.0104 41.3466 174.2795 148 A 5.1255 8.6311 123.7990 50.7915 23.4175 174.3669 149 C 5.0711 8.6565 117.9415 58.2576 35.5191 172.2849 150 E 5.3922 9.5851 126.4549 54.6825 32.3820 174.3595 151 A 5.2235 8.7044 125.7019 50.7424 23.4423 175.4696 152 V 5.0075 8.6900 112.7855 59.5552 35.8907 174.7506 153 A 5.1663 9.1024 125.5229 49.9812 23.0055 174.5812 154 L 4.9955 8.6722 122.6236 53.4324 44.6434 175.7501 155 L 5.0993 8.9552 126.8232 53.9841 44.2421 175.7699 156 I 5.3813 8.5142 119.8961 59.3195 42.0488 175.0126 157 R 4.3421 8.6670 123.7978 55.9091 30.8357 176.6959 158 Q 4.1217 8.9605 123.4137 56.6380 28.9734 176.1595 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 0 S 8.33 4.52 0.00 4.01 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 1 L 8.25 4.42 0.00 1.71 1.73 0.93 0.38 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 2 I 8.48 5.10 1.90 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 1.39 0.57 0.93 0.00 0.00 3 R 8.96 4.69 0.00 1.41 1.70 0.00 3.18 0.00 0.00 3.10 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.39 0.00 4 I 8.37 4.87 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.48 0.90 0.00 0.00 5 G 9.09 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 H 8.81 5.47 0.00 3.13 3.11 0.00 5.68 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 G 9.06 4.36 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 0.00 8 F 8.56 5.51 0.00 3.03 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 9 D 8.33 4.59 0.00 2.61 2.39 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 10 V 7.97 4.75 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 0.61 0.00 0.00 0.84 0.00 0.00 11 H 9.20 4.75 0.00 3.10 3.00 0.00 5.82 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 12 A 8.15 4.30 1.01 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 0.00 0.00 13 F 8.38 4.65 0.00 2.99 2.87 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 14 G 8.85 4.54 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 15 E 8.96 5.05 0.00 2.02 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 2.20 2.42 0.00 16 D 8.68 5.72 0.00 2.59 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 17 R 8.98 4.87 0.00 1.86 2.02 0.00 2.81 0.00 0.00 3.13 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.61 0.00 18 P 0.00 5.05 0.00 2.11 2.11 0.00 3.73 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 19 L 9.05 4.90 0.00 1.58 1.53 0.76 0.81 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 20 I 8.34 4.84 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.83 0.91 0.00 0.00 21 I 8.91 4.44 1.89 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 1.00 0.92 0.00 0.00 22 G 9.66 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 23 G 8.53 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 0.00 0.00 0.00 24 V 7.49 4.37 2.20 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 0.96 0.00 0.00 0.99 0.00 0.00 25 E 8.57 4.86 0.00 2.03 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 2.27 2.35 0.00 26 V 9.10 4.73 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 0.99 0.00 0.00 27 P 0.00 4.78 0.00 2.10 2.07 0.00 3.73 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 28 Y 9.24 4.60 0.00 2.99 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 29 H 8.40 5.28 0.00 3.16 3.03 0.00 5.94 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 30 T 9.24 4.40 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 1.30 0.00 0.00 31 G 8.77 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 32 F 8.54 3.99 0.00 3.00 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 33 I 7.39 3.63 1.49 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.44 0.77 0.00 0.00 34 A 8.36 4.35 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 35 H 8.42 4.97 0.00 3.27 3.36 0.00 5.57 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 S 7.45 4.49 0.00 3.98 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 37 D 8.84 4.55 0.00 2.75 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 38 G 7.67 3.53 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 0.00 0.00 0.00 39 D 8.08 4.52 0.00 2.75 2.43 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 40 V 8.12 4.31 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 0.73 0.00 0.00 0.89 0.00 0.00 41 A 7.90 3.94 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 42 L 7.86 4.00 0.00 1.62 1.73 0.94 1.07 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 43 H 8.45 4.23 0.00 3.39 3.38 0.00 5.64 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.33 3.96 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 45 L 7.93 3.90 0.00 1.88 1.84 0.92 0.89 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 46 T 8.20 3.90 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 1.20 0.00 0.00 47 D 8.12 4.35 0.00 2.87 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 48 A 8.19 4.11 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 49 I 7.87 3.70 1.90 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 1.56 0.86 0.97 0.00 0.00 50 L 8.13 4.10 0.00 1.68 1.68 0.91 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 51 G 8.34 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 52 A 8.18 4.53 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 53 A 7.40 4.00 1.20 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 54 A 7.63 3.65 1.35 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 55 L 8.62 4.56 0.00 1.66 1.65 0.90 0.90 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 56 G 8.93 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 0.00 0.00 0.00 57 D 8.41 4.75 0.00 2.98 2.73 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 58 I 9.20 3.80 1.93 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 1.17 0.77 0.85 0.00 0.00 59 G 8.50 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 60 K 8.03 4.45 0.00 1.91 1.74 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.25 7.81 61 L 7.58 4.17 0.00 1.21 0.68 0.82 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 62 F 7.66 5.00 0.00 3.15 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 63 P 0.00 4.54 0.00 2.21 2.18 0.00 3.97 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.04 0.00 *71 N 8.22 4.79 0.00 2.80 3.04 0.00 0.00 7.11 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 72 A 7.88 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 73 D 7.88 4.55 0.00 2.70 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 S 9.30 4.21 0.00 3.89 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 75 R 8.06 4.23 0.00 2.00 2.00 0.00 3.11 0.00 0.00 3.17 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 76 G 8.11 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 L 8.02 4.14 0.00 1.88 1.76 1.05 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.50 3.98 0.00 1.80 1.89 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 79 R 7.96 4.07 0.00 2.16 2.05 0.00 3.23 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.90 0.00 80 E 8.50 3.99 0.00 2.30 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 1.59 2.10 0.00 81 A 8.32 3.94 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 82 F 8.31 4.17 0.00 3.14 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 83 R 8.15 3.78 0.00 2.10 2.12 0.00 3.19 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 84 Q 7.92 4.33 0.00 2.26 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.58 0.00 0.00 0.00 0.00 0.00 2.51 2.43 0.00 85 V 7.61 3.64 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 1.00 0.00 0.00 0.97 0.00 0.00 86 Q 7.49 4.17 0.00 2.04 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.53 0.00 0.00 0.00 0.00 0.00 1.53 1.23 0.00 87 E 8.21 4.09 0.00 2.16 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.58 0.00 88 K 7.39 4.44 0.00 2.11 1.96 0.00 1.76 0.00 0.00 1.80 0.00 0.00 3.22 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.48 1.67 7.81 89 G 8.56 3.65 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 0.00 90 Y 7.52 5.37 0.00 2.88 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 91 K 9.43 4.89 0.00 1.88 2.12 0.00 1.38 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.52 1.51 7.81 92 I 8.69 4.17 1.93 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.81 0.96 0.00 0.00 93 G 9.18 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 94 N 7.27 4.72 0.00 2.83 2.89 0.00 0.00 5.90 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 95 V 8.47 5.02 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 0.69 0.00 0.00 0.97 0.00 0.00 96 D 8.92 5.12 0.00 2.72 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 97 I 8.82 4.90 1.87 0.00 0.00 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 1.22 0.62 0.90 0.00 0.00 98 T 9.33 4.93 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 1.23 0.00 0.00 99 I 8.66 4.28 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.64 0.92 0.00 0.00 100 I 9.02 4.92 1.94 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 1.17 0.99 0.85 0.00 0.00 101 A 8.46 4.84 1.23 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 0.00 0.00 0.00 102 Q 8.34 4.21 0.00 2.22 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.68 0.00 0.00 0.00 0.00 0.00 2.48 2.43 0.00 103 A 7.35 4.85 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 0.00 104 P 0.00 4.21 0.00 2.20 1.98 0.00 3.77 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 105 K 8.05 4.36 0.00 1.79 1.63 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.29 0.98 7.81 *107 R 8.47 4.41 0.00 1.86 1.98 0.00 3.14 0.00 0.00 3.33 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 108 P 0.00 4.46 0.00 1.88 1.98 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 1.98 2.06 0.00 109 H 7.78 4.91 0.00 3.15 3.25 0.00 5.63 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 I 7.71 3.81 1.94 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 1.35 0.74 0.96 0.00 0.00 111 D 8.23 4.44 0.00 2.78 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 0.00 112 A 7.60 4.28 1.35 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 *114 R 8.22 4.20 0.00 2.06 2.02 0.00 3.14 0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.85 0.00 115 A 8.07 3.99 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 K 7.85 3.96 0.00 1.75 1.85 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.82 7.81 117 I 7.67 3.66 1.98 0.00 0.00 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 1.55 0.82 0.88 0.00 0.00 118 A 8.49 3.93 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 0.00 119 E 8.22 3.80 0.00 2.22 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 0.00 2.28 2.33 0.00 120 D 7.93 4.40 0.00 2.64 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 0.00 121 L 7.46 3.37 0.00 1.47 1.36 0.89 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 122 Q 7.41 3.17 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.64 0.00 0.00 0.00 0.00 0.00 2.26 2.02 0.00 123 C 7.86 4.71 0.00 3.21 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 0.00 124 D 8.72 4.59 0.00 2.72 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 0.00 125 I 8.20 3.75 1.86 0.00 0.00 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 1.29 1.17 0.90 0.00 0.00 126 E 9.22 4.04 0.00 2.14 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 2.32 2.42 0.00 127 Q 8.30 4.49 0.00 2.27 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.53 0.00 0.00 0.00 0.00 0.00 2.44 2.28 0.00 128 V 7.58 4.79 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 0.72 0.00 0.00 0.96 0.00 0.00 129 N 9.16 5.16 0.00 2.84 2.72 0.00 0.00 6.14 7.58 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 0.00 130 V 8.22 4.97 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 0.87 0.00 0.00 0.93 0.00 0.00 131 K 9.45 4.89 0.00 1.78 1.84 0.00 1.31 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.47 1.37 7.81 132 A 8.46 5.14 1.20 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 0.00 133 T 9.25 4.83 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 1.27 0.00 0.00 134 T 8.45 5.03 4.38 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 1.25 0.00 0.00 135 T 8.23 4.42 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 1.11 0.00 0.00 136 E 8.97 3.72 0.00 2.06 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 2.26 2.24 0.00 137 K 8.56 4.15 0.00 1.92 2.00 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.54 7.81 138 L 7.88 4.41 0.00 1.74 1.54 0.91 1.10 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 0.00 139 G 8.48 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 0.00 0.00 0.00 0.00 140 F 8.68 4.50 0.00 3.37 3.32 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 0.00 141 T 6.44 4.37 4.12 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 0.90 0.00 0.00 142 G 7.62 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 0.00 143 R 8.23 4.27 0.00 1.85 2.04 0.00 3.35 0.00 0.00 3.26 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.85 0.00 144 Q 7.87 3.83 0.00 2.33 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 6.90 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 145 E 8.67 4.37 0.00 2.20 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 2.38 2.36 0.00 146 G 6.91 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 0.00 0.00 0.00 147 I 7.25 4.78 1.87 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.04 1.06 0.00 0.00 148 A 8.63 5.13 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 0.00 149 C 8.66 5.07 0.00 2.91 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 E 9.59 5.39 0.00 2.15 1.81 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 2.27 2.30 0.00 151 A 8.70 5.22 1.23 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 0.00 0.00 0.00 152 V 8.69 5.01 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 0.76 0.00 0.00 1.00 0.00 0.00 153 A 9.10 5.17 1.19 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 0.00 0.00 154 L 8.67 5.00 0.00 1.77 1.61 1.00 0.54 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 0.00 155 L 8.96 5.10 0.00 1.31 1.41 0.53 0.68 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 0.00 156 I 8.51 5.38 1.95 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 1.30 1.21 0.96 0.00 0.00 157 R 8.67 4.34 0.00 1.67 1.78 0.00 3.08 0.00 0.00 2.64 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.46 0.00 158 Q 8.96 4.12 0.00 1.92 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.55 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 * Residues marked with a * may have inaccurate shift predictions.