NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4897 8.2893 120.3260 55.7213 33.3921 173.8806 2 R 4.3519 7.8739 115.1091 54.1922 31.9577 172.6562 3 L 4.2735 9.0862 122.3298 54.5929 43.7184 177.3607 4 L 4.4345 8.5892 126.5777 57.1262 42.7970 176.2005 5 H 5.6189 7.3863 109.7249 56.2743 31.4405 172.5360 6 T 4.5721 8.2906 114.6010 61.9249 71.4389 172.7878 7 M 4.7891 8.5832 126.3148 53.9217 33.8987 174.9061 8 L 4.5098 8.4852 125.5266 52.7983 45.5609 175.6989 9 R 4.6602 8.0388 122.2191 55.3554 31.0349 176.3366 10 V 4.7660 8.9763 116.2978 59.6448 34.5099 176.3077 11 G 3.8529 9.7017 110.6649 46.8126 0.0000 173.4360 12 D 4.2212 7.9588 119.3401 52.1792 43.1420 174.5462 13 L 3.8926 8.0799 128.8432 58.6320 41.9966 178.1893 14 Q 3.9370 7.9029 118.2366 59.3499 29.1325 178.3307 15 R 3.9158 8.6723 119.9014 59.9157 30.0172 178.5293 16 S 4.3420 8.2100 114.4962 61.6524 62.8350 176.6921 17 I 3.8260 8.2230 122.8479 64.6848 36.9105 178.0338 18 D 4.4250 8.6376 120.0257 57.5845 40.6187 178.7043 19 F 4.0230 8.2913 120.7217 61.5724 39.4111 176.6877 20 Y 3.9585 8.4503 116.5049 61.5085 37.6925 178.3716 21 T 4.9014 8.1528 112.1950 63.5550 69.0528 177.1035 22 K 3.8944 8.1431 122.8770 58.4083 32.6625 178.8938 23 V 3.6750 7.5339 117.1537 65.0624 31.5415 176.7949 24 L 4.1523 7.4367 116.1508 54.6893 42.0348 177.5217 25 G 3.9636 8.2415 106.9387 45.7182 0.0000 173.4408 26 M 4.2307 8.1714 120.4397 54.4894 33.9187 175.1379 27 K 4.8453 8.6640 118.7453 54.4219 36.0581 175.8965 28 L 4.2556 8.4547 125.4017 55.0077 41.7715 176.3496 29 L 4.3988 9.1062 128.5629 57.2388 42.4617 177.6816 30 R 4.5527 7.4641 111.6148 56.0905 31.8933 173.6986 31 T 5.4116 8.6291 116.0317 62.3103 72.7896 173.1255 32 S 4.8551 9.3910 117.6471 57.2275 67.0766 172.5292 33 E 4.9356 8.7418 119.0711 54.7932 33.2719 175.5911 34 N 4.6008 8.6546 122.0691 50.6827 39.2477 172.7760 35 P 4.1863 0.0000 0.0000 65.1060 32.0791 177.4722 36 E 3.8048 8.2618 117.4647 59.4200 29.2199 177.1676 37 Y 4.2263 7.7317 111.7146 56.9459 39.1354 175.3768 38 K 2.0000 7.1642 119.2866 56.1008 29.7861 173.7018 39 Y 5.0158 5.5256 115.4296 55.7845 42.1572 175.4989 40 S 5.3783 10.1630 117.0512 56.9530 67.1206 173.1663 41 L 5.4944 9.1454 122.0649 53.1628 45.7708 175.5297 42 A 5.1257 8.6365 122.6917 50.6791 23.0545 174.9314 43 F 5.0161 9.6640 122.1022 55.8868 41.1419 175.4084 44 V 4.8828 8.2727 117.2809 59.8018 35.1172 175.0764 45 G 4.2425 8.3970 109.6034 46.5469 0.0000 173.4164 46 Y 4.5745 8.7516 116.3050 58.7518 38.5619 175.5102 47 G 4.4954 7.4115 105.9467 43.6740 0.0000 170.3561 48 P 4.4423 0.0000 0.0000 62.0025 32.1047 177.7292 49 E 4.1087 8.9766 121.9252 59.8433 29.5945 179.7139 50 T 3.8607 7.9174 107.5896 63.7917 69.0965 174.7470 51 E 4.4360 8.2907 120.9859 56.9113 31.0077 175.2254 52 E 4.7150 7.5406 112.2905 54.0531 33.0553 173.9453 53 A 4.6814 8.3795 120.7874 52.4162 19.4525 177.1107 54 V 4.5739 8.7462 113.2228 60.0024 36.8915 173.9193 55 I 4.7447 8.4834 121.3698 59.8075 39.8229 174.7389 56 E 3.9846 8.8122 128.1226 54.2711 31.4793 174.2591 57 L 4.8599 8.5461 127.8262 53.4094 44.1377 175.5345 58 T 5.0424 8.6077 120.7820 61.8317 71.2790 172.5790 59 Y 5.1033 9.5238 128.1108 55.9547 41.5544 173.9463 60 N 4.9151 7.9060 122.1975 51.3234 40.1977 175.0252 61 W 4.5059 8.2436 124.2370 58.8385 29.4598 176.9399 62 G 3.9386 9.1782 111.8688 45.2601 0.0000 172.9841 63 V 4.0778 7.7144 120.4229 61.2936 31.8248 174.8382 64 D 5.1549 8.3888 125.1450 52.1760 40.2923 175.4404 65 K 4.4912 7.1611 119.2487 55.6695 35.0376 173.7007 66 Y 4.6775 8.1416 120.4910 56.5002 42.0732 174.2597 67 E 4.5335 8.6245 120.1587 54.6465 30.2016 176.2544 68 L 3.8784 8.5940 127.1291 56.0845 42.4143 178.0150 69 G 3.9545 8.0826 106.4378 45.0314 0.0000 172.5265 70 T 4.4768 8.2903 105.7383 61.2847 69.8372 175.0776 71 A 4.1524 8.0792 125.2271 55.1997 19.0691 177.4397 72 Y 4.2335 8.0650 115.7926 57.9599 38.7200 174.9271 73 G 3.4585 7.0067 115.8402 45.0848 0.0000 174.9199 74 H 4.3360 6.1526 115.8329 54.5487 31.9790 172.8116 75 I 4.7182 8.0013 117.6757 59.6320 40.0246 174.8276 76 A 5.1946 8.7636 128.3487 50.4404 20.7450 176.0464 77 L 5.0154 8.9721 121.9519 52.5855 45.8384 176.2648 78 S 4.8236 8.7250 117.7942 58.2174 63.7556 173.6886 79 V 4.3653 8.5702 122.6851 59.9830 33.8127 176.5381 80 D 4.1785 8.8057 123.3654 57.0455 41.0091 176.9584 81 N 4.8496 7.7584 119.0923 50.7224 40.8732 174.1280 82 A 3.9293 10.4992 130.7611 55.1623 18.6443 178.7000 83 A 3.9348 8.0413 118.4966 55.4177 18.3434 179.2687 84 E 3.8166 8.8323 117.6979 59.3996 29.6950 178.6802 85 A 3.9521 8.2587 121.0977 55.5939 18.3434 179.3626 86 C 4.0855 8.2350 115.0094 62.8793 28.0104 176.3180 87 E 3.9222 8.0465 120.0658 59.3276 28.9248 179.0082 88 K 3.8459 8.0169 118.4456 59.7189 32.4757 178.4082 89 I 3.9131 8.4085 120.1078 64.5823 36.9087 178.3890 90 R 4.1919 8.0681 118.1993 58.4468 29.7650 176.8828 91 Q 4.6564 7.5455 114.4307 55.7668 29.2268 175.6071 92 N 4.9496 7.8097 114.2554 52.9313 39.7886 175.0852 93 G 3.7791 8.3929 105.7383 44.6264 0.0000 172.0433 94 G 4.1374 7.1286 104.5400 46.1230 0.0000 171.0808 95 N 5.2405 8.1069 117.8721 51.1503 42.3261 174.1908 96 V 4.6742 8.4074 122.0935 61.7117 32.5140 175.2365 97 T 4.3079 8.7391 119.0073 62.9645 70.1089 175.2754 98 R 4.4351 7.8824 123.2646 55.1150 32.1291 173.6911 99 E 4.4600 8.9878 125.7748 56.3817 30.4120 177.1886 100 A 4.2532 8.7998 124.4173 52.3694 19.0457 177.2789 101 G 4.0706 8.9253 108.8452 44.8915 0.0000 170.8438 102 P 4.9549 0.0000 0.0000 62.5569 32.4244 176.5096 103 V 3.8152 8.5393 122.2492 60.5870 32.3027 175.4978 104 K 3.8415 8.6551 123.8659 58.6128 31.9711 176.4041 105 G 3.9768 9.5892 113.9413 45.6383 0.0000 172.7801 106 G 4.1106 8.4648 108.2654 44.4574 0.0000 172.0928 107 T 4.4692 8.3886 105.8763 62.1798 71.0551 174.5981 108 T 3.9152 7.8711 119.2066 63.8571 69.5527 173.6858 109 V 4.4406 8.4535 126.9044 62.7248 33.0056 174.7289 110 I 5.2564 8.6581 119.8618 59.7690 41.6935 173.4292 111 A 5.1098 8.6635 123.3204 51.0256 23.4560 175.0038 112 F 5.1617 9.2098 116.9019 56.0680 43.2217 175.1065 113 V 5.0352 9.2274 115.2976 60.1583 36.6865 173.5794 114 E 5.3707 8.9495 120.3140 54.8176 33.0068 176.8580 115 D 3.8261 8.7996 123.5079 51.2999 41.0910 175.3375 116 P 4.1108 0.0000 0.0000 65.0087 31.1860 177.1332 117 D 4.6057 8.3778 115.8581 53.8241 41.1095 177.1178 118 G 3.9068 8.1000 107.8681 45.1479 0.0000 173.6487 119 Y 4.5088 8.2217 118.2808 57.7447 38.8501 175.1552 120 K 4.8203 9.0206 124.5986 56.3597 34.0948 175.4375 121 I 5.1093 9.3332 127.4989 59.6043 41.1881 173.6987 122 E 3.9231 8.8918 128.3774 54.4057 31.3072 174.3165 123 L 5.0677 8.4906 127.7123 53.0943 44.2322 175.4160 124 I 4.6757 8.6204 125.1994 59.5074 40.0141 174.6946 125 E 4.5957 8.8657 129.8003 54.0484 28.5038 178.0173 126 E 4.1480 8.2833 128.5943 55.4425 29.0737 176.2275 *134 G 3.8431 7.9382 107.6769 44.5144 0.0000 172.3096 135 N 4.5255 8.0213 122.0737 52.0215 37.5917 175.2616 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.29 4.49 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 2 R 7.87 4.35 0.00 1.95 1.85 0.00 3.03 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.68 0.00 3 L 9.09 4.27 0.00 1.63 1.63 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 4 L 8.59 4.43 0.00 1.58 1.72 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 5 H 7.39 5.62 0.00 3.26 3.35 0.00 5.08 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 T 8.29 4.57 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 1.14 0.00 0.00 7 M 8.58 4.79 0.00 1.88 2.02 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 8 L 8.49 4.51 0.00 1.13 0.66 0.22 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 9 R 8.04 4.66 0.00 0.67 0.93 0.00 2.55 0.00 0.00 2.83 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.26 0.00 10 V 8.98 4.77 2.42 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 0.83 0.00 0.00 1.11 0.00 0.00 11 G 9.70 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 12 D 7.96 4.22 0.00 2.67 2.52 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 13 L 8.08 3.89 0.00 1.78 1.55 1.01 0.78 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 14 Q 7.90 3.94 0.00 2.16 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.59 0.00 0.00 0.00 0.00 0.00 2.42 2.66 0.00 15 R 8.67 3.92 0.00 1.95 2.14 0.00 3.14 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 16 S 8.21 4.34 0.00 4.19 4.14 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 17 I 8.22 3.83 2.05 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 1.57 0.87 0.96 0.00 0.00 18 D 8.64 4.42 0.00 2.88 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 19 F 8.29 4.02 0.00 3.11 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 20 Y 8.45 3.96 0.00 3.19 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 T 8.15 4.90 4.28 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 1.25 0.00 0.00 22 K 8.14 3.89 0.00 1.89 1.90 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.48 1.46 7.81 23 V 7.53 3.68 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 0.44 0.00 0.00 0.83 0.00 0.00 24 L 7.44 4.15 0.00 1.77 1.75 0.77 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.24 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 0.00 0.00 0.00 26 M 8.17 4.23 0.00 1.72 1.98 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.91 0.00 27 K 8.66 4.85 0.00 1.66 1.67 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.78 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.37 7.81 28 L 8.45 4.26 0.00 1.66 1.62 1.05 1.02 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 L 9.11 4.40 0.00 1.68 1.71 1.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 30 R 7.46 4.55 0.00 1.83 1.95 0.00 2.75 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.59 0.00 31 T 8.63 5.41 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 1.40 0.00 0.00 32 S 9.39 4.86 0.00 3.87 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 33 E 8.74 4.94 0.00 1.92 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 0.00 2.30 2.31 0.00 34 N 8.65 4.60 0.00 2.01 1.42 0.00 0.00 7.10 7.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 P 0.00 4.19 0.00 2.12 2.31 0.00 3.74 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.21 0.00 36 E 8.26 3.80 0.00 1.82 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 1.47 2.02 0.00 37 Y 7.73 4.23 0.00 3.18 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 38 K 7.16 2.00 0.00 1.75 1.51 0.00 1.62 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.24 1.19 7.81 39 Y 5.53 5.02 0.00 3.06 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 40 S 10.16 5.38 0.00 4.14 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 L 9.15 5.49 0.00 1.72 1.50 1.21 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 42 A 8.64 5.13 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 43 F 9.66 5.02 0.00 2.92 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 44 V 8.27 4.88 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 0.73 0.00 0.00 0.66 0.00 0.00 45 G 8.40 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 46 Y 8.75 4.57 0.00 3.17 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 47 G 7.41 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 P 0.00 4.44 0.00 2.19 1.97 0.00 3.77 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.11 0.00 49 E 8.98 4.11 0.00 1.96 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 2.40 2.27 0.00 50 T 7.92 3.86 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 51 E 8.29 4.44 0.00 1.96 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 2.26 2.22 0.00 52 E 7.54 4.72 0.00 2.19 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 2.40 2.30 0.00 53 A 8.38 4.68 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 54 V 8.75 4.57 2.34 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 0.93 0.00 0.00 1.11 0.00 0.00 55 I 8.48 4.74 1.53 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.59 0.53 0.00 0.00 56 E 8.81 3.98 0.00 1.27 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 1.70 1.47 0.00 57 L 8.55 4.86 0.00 1.49 1.50 0.86 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 58 T 8.61 5.04 4.08 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 1.03 0.00 0.00 59 Y 9.52 5.10 0.00 3.15 3.03 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 0.00 0.00 0.00 60 N 7.91 4.92 0.00 2.68 2.66 0.00 0.00 6.55 7.55 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 61 W 8.24 4.51 0.00 3.35 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 62 G 9.18 3.94 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 0.00 0.00 0.00 63 V 7.71 4.08 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.23 0.00 0.00 0.83 0.00 0.00 64 D 8.39 5.15 0.00 2.94 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 65 K 7.16 4.49 0.00 1.62 1.56 0.00 1.60 0.00 0.00 1.69 0.00 0.00 3.08 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.28 1.47 7.81 66 Y 8.14 4.68 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 67 E 8.62 4.53 0.00 1.98 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 2.24 2.29 0.00 68 L 8.59 3.88 0.00 1.52 1.70 0.96 1.13 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 69 G 8.08 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 70 T 8.29 4.48 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 71 A 8.08 4.15 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 72 Y 8.07 4.23 0.00 2.92 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 73 G 7.01 3.46 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 0.00 0.00 0.00 74 H 6.15 4.34 0.00 3.31 3.33 0.00 5.47 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 75 I 8.00 4.72 2.03 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 1.27 1.14 1.00 0.00 0.00 76 A 8.76 5.19 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 77 L 8.97 5.02 0.00 1.58 1.66 1.14 0.92 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 78 S 8.72 4.82 0.00 3.87 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 79 V 8.57 4.37 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 0.82 0.00 0.00 0.89 0.00 0.00 80 D 8.81 4.18 0.00 2.64 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 81 N 7.76 4.85 0.00 2.66 2.62 0.00 0.00 7.03 8.38 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 82 A 10.50 3.93 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 83 A 8.04 3.93 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 84 E 8.83 3.82 0.00 2.16 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.46 0.00 85 A 8.26 3.95 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 86 C 8.23 4.09 0.00 3.18 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 87 E 8.05 3.92 0.00 2.15 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 2.57 2.46 0.00 88 K 8.02 3.85 0.00 1.80 2.00 0.00 1.92 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.40 1.47 7.81 89 I 8.41 3.91 2.09 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 1.44 0.76 1.10 0.00 0.00 90 R 8.07 4.19 0.00 1.85 2.24 0.00 3.23 0.00 0.00 3.29 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 91 Q 7.55 4.66 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.16 0.00 0.00 0.00 0.00 0.00 2.55 2.30 0.00 92 N 7.81 4.95 0.00 2.88 2.81 0.00 0.00 6.85 6.97 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 93 G 8.39 3.78 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 0.00 0.00 0.00 94 G 7.13 4.14 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 0.00 0.00 0.00 95 N 8.11 5.24 0.00 2.75 2.70 0.00 0.00 6.82 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 V 8.41 4.67 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 0.92 0.00 0.00 1.01 0.00 0.00 97 T 8.74 4.31 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 1.25 0.00 0.00 98 R 7.88 4.44 0.00 1.94 2.17 0.00 3.60 0.00 0.00 3.44 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 99 E 8.99 4.46 0.00 1.91 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 100 A 8.80 4.25 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 0.00 101 G 8.93 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 P 0.00 4.95 0.00 1.97 2.17 0.00 3.95 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.01 0.00 103 V 8.54 3.82 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.97 0.00 0.00 104 K 8.66 3.84 0.00 1.75 1.82 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.44 1.47 7.81 105 G 9.59 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 0.00 106 G 8.46 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 0.00 0.00 0.00 107 T 8.39 4.47 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 0.00 108 T 7.87 3.92 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 1.25 0.00 0.00 109 V 8.45 4.44 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 1.09 0.00 0.00 0.93 0.00 0.00 110 I 8.66 5.26 1.85 0.00 0.00 1.00 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 0.78 0.89 0.00 0.00 111 A 8.66 5.11 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 0.00 112 F 9.21 5.16 0.00 3.00 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 0.00 113 V 9.23 5.04 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 0.78 0.00 0.00 1.12 0.00 0.00 114 E 8.95 5.37 0.00 1.91 1.79 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 2.27 2.28 0.00 115 D 8.80 3.83 0.00 2.07 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 0.00 116 P 0.00 4.11 0.00 1.98 2.05 0.00 2.77 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.82 0.00 117 D 8.38 4.61 0.00 2.69 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 0.00 118 G 8.10 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 0.00 119 Y 8.22 4.51 0.00 3.47 3.03 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 0.00 0.00 0.00 120 K 9.02 4.82 0.00 1.98 2.00 0.00 1.82 0.00 0.00 1.89 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.84 1.74 7.81 121 I 9.33 5.11 2.01 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.82 1.05 0.00 0.00 122 E 8.89 3.92 0.00 1.16 1.46 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 1.81 1.47 0.00 123 L 8.49 5.07 0.00 1.51 1.50 0.91 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 124 I 8.62 4.68 1.82 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 1.01 0.63 0.88 0.00 0.00 125 E 8.87 4.60 0.00 1.94 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.25 0.00 126 E 8.28 4.15 0.00 1.96 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 2.29 2.28 0.00 *134 G 7.94 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 0.00 135 N 8.02 4.53 0.00 2.82 2.79 0.00 0.00 5.83 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.