NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2172 8.3144 121.7901 55.6683 33.2961 175.0918 2 E 3.8545 8.4524 125.4893 54.4761 30.1740 175.2668 3 T 4.2095 8.7574 118.5852 61.2784 72.1181 174.8856 4 A 3.9947 8.5372 123.4245 55.3052 18.4469 179.9908 5 A 4.1277 7.9970 118.6737 55.3102 18.5445 179.5933 6 A 4.0143 8.1924 119.4395 55.0755 18.3689 179.7739 7 K 4.1416 8.3966 119.8684 59.0547 32.1901 178.8173 8 F 4.1268 8.3734 120.9904 61.4231 39.3346 176.9926 9 E 4.0216 8.4177 118.2253 59.3538 29.0197 179.3919 10 R 3.8794 7.9634 117.9205 59.5344 30.3037 178.2367 11 Q 4.0449 8.1517 116.6234 57.8700 29.0604 176.1509 12 H 4.8053 8.0577 113.7581 53.6867 31.5646 172.7839 13 M 4.7389 7.9446 118.9409 53.5274 33.6708 176.6714 14 D 4.7619 8.9451 123.2244 53.2636 41.5723 175.7427 15 S 4.6099 8.8947 117.4466 60.3737 65.1658 176.6241 16 S 3.2782 8.2971 104.7693 60.9342 62.6534 175.9389 *22 S 4.2739 9.0429 113.4485 57.4394 64.5176 175.2758 23 S 4.3851 8.5214 113.7952 59.8314 63.3539 174.1731 24 N 4.7002 7.7830 118.4718 53.8072 39.3079 175.4323 25 Y 4.0640 8.0019 118.6969 62.0781 38.7196 177.5927 26 C 4.1363 8.4011 116.9593 60.0757 38.5786 175.7610 27 N 4.4141 8.2410 117.5523 56.4522 38.0395 177.0988 28 Q 3.8457 7.8395 120.2125 59.3523 29.1587 177.9247 29 M 3.8439 7.6001 121.2200 58.0827 31.7659 178.7475 30 M 4.0112 8.2184 119.1539 57.8948 31.9464 178.8939 31 K 4.2215 7.8161 121.0320 58.9550 32.3964 179.0773 32 S 4.0541 8.1967 114.2635 61.5321 62.9561 175.9660 33 R 4.2598 8.1948 116.9783 55.7356 29.5377 175.9187 34 N 4.2093 7.7050 114.1579 54.8778 36.6260 174.7551 35 L 4.6801 8.2690 115.2637 54.8303 42.3115 177.8955 36 T 5.4527 7.4650 106.7968 60.2006 68.9465 175.5923 37 K 3.9129 7.8264 120.0096 59.6963 32.4740 177.2201 38 D 4.5293 7.8807 122.8188 55.4520 42.6320 176.9270 39 R 4.1406 7.1653 113.2983 54.2197 32.5360 174.5215 40 C 4.7667 8.5630 116.6998 55.7203 40.4847 173.7445 41 K 4.1499 8.5283 127.0497 55.8730 32.2543 174.4391 42 P 4.6940 0.0000 0.0000 65.3367 32.0828 176.4449 43 V 5.0304 7.5781 116.5293 61.2650 34.6758 173.8462 44 N 4.7436 9.0834 124.0959 52.7690 42.8770 172.8934 45 T 4.8132 7.8841 120.9906 61.5973 71.8087 172.7786 46 F 4.8689 8.8220 124.4691 55.6480 41.9854 174.5195 47 V 4.4555 9.0446 124.0063 61.8913 32.8952 175.6308 48 H 5.7639 9.0312 123.5973 55.2593 29.9861 175.1307 49 E 4.2319 8.1302 118.6377 55.1855 30.5766 176.9527 50 S 4.3608 8.3031 114.8724 58.2998 64.9766 174.9086 51 L 4.0005 8.5514 124.5017 58.3568 41.8618 179.1654 52 A 4.0232 8.0098 120.2249 55.3851 18.1347 179.2116 53 D 4.3220 7.8622 116.3126 57.4313 41.1869 178.9280 54 V 3.7881 7.9159 118.8543 66.1478 31.7357 178.2073 55 Q 3.9387 8.6145 117.9856 58.6856 28.4912 178.4072 56 A 4.0764 7.9530 121.4449 54.3288 18.3539 179.5643 57 V 3.4580 7.6533 117.0015 65.7484 31.3072 176.7579 58 C 3.8186 7.6469 113.9905 57.9870 39.9086 174.0724 59 S 4.6954 7.5021 115.7671 58.2341 64.1310 174.3244 60 Q 4.0878 7.1645 120.3223 55.6623 30.4105 178.5543 61 K 4.2743 8.4155 134.3909 56.8178 32.6849 174.8169 62 N 4.2757 8.7434 127.5642 53.5956 39.3843 174.3046 63 V 4.5787 8.4274 118.3126 59.4456 36.8784 174.6190 64 A 4.2844 8.3851 124.4169 52.1911 19.2709 178.2050 65 C 4.7943 8.8966 118.4069 55.5493 41.6604 175.4623 66 K 3.8484 8.7022 121.3835 59.7168 31.5796 178.3837 67 N 4.4804 7.9790 113.1697 53.4370 37.5577 175.4227 68 G 4.0037 7.9664 107.9748 45.7155 0.0000 174.3808 69 Q 4.2253 8.5504 119.0647 56.3386 29.2032 176.3534 70 T 4.6518 8.2992 108.1838 61.6493 69.1392 174.0011 71 N 5.0360 7.9692 118.0338 53.8361 38.5585 174.5518 72 C 5.3014 7.5397 114.9100 56.8130 44.1892 172.6933 73 Y 5.1524 8.9892 118.7401 56.4138 42.0273 173.9248 74 Q 5.0215 9.2073 125.7021 54.2189 31.1917 174.8922 75 S 4.4629 8.8324 122.0921 58.6480 63.2019 174.2646 76 Y 4.5078 9.3021 121.8251 60.8110 37.9083 176.5939 77 S 5.0421 7.8583 113.8413 56.9365 65.2005 174.4698 78 T 4.1993 8.2645 111.7554 61.9608 69.9483 173.6892 79 M 5.0245 9.0362 121.9076 53.3664 36.8545 174.7174 80 S 4.7464 9.4296 117.5392 58.3937 63.6197 173.1075 81 I 5.1420 9.0349 120.3688 59.5209 41.9259 174.2268 82 T 5.0424 8.8361 118.2972 62.0191 72.2160 172.9848 83 D 4.9172 9.2707 127.5586 53.4046 42.7779 174.8194 84 C 5.3869 9.3351 121.8442 55.2254 41.5929 172.9488 85 R 5.1668 8.6904 123.9079 54.0662 32.8386 174.0842 86 E 4.1503 9.4012 128.4900 56.5640 30.1602 176.8637 87 T 4.2166 8.5600 116.3498 60.9952 69.7631 175.8847 88 G 3.5617 8.5462 111.0346 47.8444 0.0000 174.6683 89 S 4.5949 7.2805 112.9959 57.8273 63.3090 174.1127 90 S 4.2897 7.4405 115.9422 58.2155 62.8056 173.5341 91 K 4.4861 8.2261 126.0288 54.9189 35.2493 174.7079 92 Y 4.2161 8.7265 127.5437 57.4625 39.0853 174.3825 93 P 2.9715 0.0000 0.0000 63.8192 32.2597 176.9320 94 N 4.5398 7.4469 118.9862 52.2660 36.9328 171.5203 95 C 4.2821 8.2848 117.4018 56.2143 42.3647 172.8930 96 A 5.1201 8.8183 127.3983 50.3644 21.0839 174.8678 97 Y 5.1650 9.5417 118.8946 56.1706 42.3841 174.9500 98 K 4.6347 9.1735 121.4073 55.3569 34.3986 175.5562 99 T 4.8223 8.5856 121.6954 62.5652 70.1548 174.3548 100 T 4.5847 8.6680 122.6698 61.7564 71.9600 173.6356 101 Q 4.6974 8.8375 125.5238 56.1375 29.8872 175.1915 102 A 4.5441 8.5963 122.2569 51.4699 23.6351 175.2999 103 N 5.7260 8.5828 115.3905 50.6318 41.2517 174.0582 104 K 4.7484 8.2535 121.9316 54.7149 37.7259 175.3226 105 H 5.0187 9.3103 119.1855 55.8095 29.9789 174.9960 106 I 4.8568 8.6493 115.2476 59.2681 40.8599 174.3565 107 I 4.9285 8.2678 124.2639 59.7316 40.1387 175.1142 108 V 4.8092 8.6999 119.3205 59.3672 36.3023 174.3410 109 A 4.9991 8.7733 125.0317 51.1353 20.4809 175.7333 110 C 5.1047 8.5131 119.6911 55.2929 39.8484 172.9937 111 E 4.6981 8.6995 120.5961 56.8329 33.7277 175.9219 112 G 3.8524 9.0338 110.9713 44.9192 0.0000 171.6202 113 N 5.0046 8.2347 116.1140 50.5898 40.5495 172.1827 114 P 4.3372 0.0000 0.0000 62.7382 31.9588 176.0500 115 Y 5.0726 8.3072 121.5254 57.3748 38.3571 174.5231 116 V 4.4260 7.9799 119.0940 58.0675 36.5941 173.2653 117 P 4.5001 0.0000 0.0000 62.9363 31.1560 177.0889 118 V 4.4622 8.7156 115.1247 61.0859 33.8178 175.1533 119 H 4.9904 7.8199 119.6235 54.9903 33.4312 171.7697 120 F 4.6915 8.6997 128.0090 57.3373 39.4367 174.5522 121 D 4.5331 8.5203 127.1729 56.1115 41.8495 175.7166 122 A 4.5389 6.4120 117.4383 51.5621 22.5083 174.5720 123 S 5.1265 8.8319 113.2379 56.6520 65.8501 174.5254 124 V 4.1072 9.0226 122.4816 63.1323 31.8063 174.8987 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 K 8.31 4.22 0.00 1.74 1.79 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.44 7.81 2 E 8.45 3.85 0.00 2.13 1.83 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 2.40 2.38 0.00 3 T 8.76 4.21 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 1.23 0.00 0.00 4 A 8.54 3.99 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 5 A 8.00 4.13 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 6 A 8.19 4.01 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 7 K 8.40 4.14 0.00 1.96 2.07 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.32 7.81 8 F 8.37 4.13 0.00 3.28 3.26 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 9 E 8.42 4.02 0.00 2.30 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 0.00 2.54 2.73 0.00 10 R 7.96 3.88 0.00 1.82 2.09 0.00 3.36 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 11 Q 8.15 4.04 0.00 1.66 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.47 0.00 0.00 0.00 0.00 0.00 2.26 2.47 0.00 12 H 8.06 4.81 0.00 1.97 2.62 0.00 5.59 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 M 7.94 4.74 0.00 1.97 2.18 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.64 0.00 14 D 8.95 4.76 0.00 2.69 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.89 4.61 0.00 3.93 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 16 S 8.30 3.28 0.00 3.98 3.70 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 *22 S 9.04 4.27 0.00 4.08 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 23 S 8.52 4.39 0.00 4.04 4.05 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 0.00 0.00 0.00 0.00 24 N 7.78 4.70 0.00 2.92 2.84 0.00 0.00 6.68 7.44 0.00 0.00 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 Y 8.00 4.06 0.00 3.18 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 26 C 8.40 4.14 0.00 3.14 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 27 N 8.24 4.41 0.00 3.11 2.93 0.00 0.00 6.76 7.74 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 28 Q 7.84 3.85 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.26 2.45 0.00 29 M 7.60 3.84 0.00 0.97 1.35 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.46 0.00 30 M 8.22 4.01 0.00 1.69 1.83 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.38 0.00 31 K 7.82 4.22 0.00 2.07 1.93 0.00 1.68 0.00 0.00 1.78 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.31 7.81 32 S 8.20 4.05 0.00 3.95 4.03 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 33 R 8.19 4.26 0.00 1.93 2.14 0.00 3.60 0.00 0.00 3.17 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.84 0.00 34 N 7.70 4.21 0.00 2.90 2.91 0.00 0.00 6.79 7.89 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 35 L 8.27 4.68 0.00 1.79 1.62 0.82 0.68 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 36 T 7.46 5.45 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 1.44 0.00 0.00 37 K 7.83 3.91 0.00 1.79 1.82 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.83 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.48 1.65 7.81 38 D 7.88 4.53 0.00 2.54 2.55 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 39 R 7.17 4.14 0.00 1.79 1.74 0.00 2.91 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.59 0.00 40 C 8.56 4.77 0.00 3.06 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.53 4.15 0.00 1.91 1.80 0.00 1.78 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.59 1.42 7.81 42 P 0.00 4.69 0.00 2.14 2.11 0.00 3.62 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 43 V 7.58 5.03 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 0.79 0.00 0.00 0.97 0.00 0.00 44 N 9.08 4.74 0.00 2.62 2.21 0.00 0.00 6.82 8.01 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 45 T 7.88 4.81 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 0.90 0.00 0.00 46 F 8.82 4.87 0.00 2.99 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 47 V 9.04 4.46 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 1.04 0.00 0.00 48 H 9.03 5.76 0.00 3.20 3.27 0.00 5.68 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.13 4.23 0.00 2.01 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 2.36 2.28 0.00 50 S 8.30 4.36 0.00 4.07 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 51 L 8.55 4.00 0.00 1.83 1.74 1.02 1.29 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 52 A 8.01 4.02 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 53 D 7.86 4.32 0.00 2.86 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 54 V 7.92 3.79 2.19 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 1.25 0.00 0.00 1.11 0.00 0.00 55 Q 8.61 3.94 0.00 2.26 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.32 2.50 0.00 56 A 7.95 4.08 1.39 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 57 V 7.65 3.46 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 1.02 0.00 0.00 1.00 0.00 0.00 58 C 7.65 3.82 0.00 2.87 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 59 S 7.50 4.70 0.00 3.88 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 Q 7.16 4.09 0.00 1.63 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 7.00 0.00 0.00 0.00 0.00 0.00 1.70 2.13 0.00 61 K 8.42 4.27 0.00 2.04 1.89 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.49 7.81 62 N 8.74 4.28 0.00 2.73 2.64 0.00 0.00 7.00 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 63 V 8.43 4.58 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 0.82 0.00 0.00 0.83 0.00 0.00 64 A 8.39 4.28 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 65 C 8.90 4.79 0.00 3.09 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 66 K 8.70 3.85 0.00 1.78 1.88 0.00 1.72 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.59 7.81 67 N 7.98 4.48 0.00 2.79 2.90 0.00 0.00 6.30 7.00 0.00 0.00 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 7.97 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 0.00 0.00 0.00 69 Q 8.55 4.23 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.80 0.00 0.00 0.00 0.00 0.00 2.53 2.42 0.00 70 T 8.30 4.65 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 71 N 7.97 5.04 0.00 3.06 3.14 0.00 0.00 6.05 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 72 C 7.54 5.30 0.00 2.96 2.90 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 73 Y 8.99 5.15 0.00 2.76 2.83 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 74 Q 9.21 5.02 0.00 2.04 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.99 0.00 0.00 0.00 0.00 0.00 2.28 2.26 0.00 75 S 8.83 4.46 0.00 3.92 3.86 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 76 Y 9.30 4.51 0.00 3.00 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 77 S 7.86 5.04 0.00 3.81 3.82 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 78 T 8.26 4.20 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 79 M 9.04 5.02 0.00 1.93 2.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.49 0.00 80 S 9.43 4.75 0.00 3.91 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 81 I 9.03 5.14 1.92 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.79 0.97 0.00 0.00 82 T 8.84 5.04 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 1.32 0.00 0.00 83 D 9.27 4.92 0.00 2.60 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 C 9.34 5.39 0.00 2.85 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 85 R 8.69 5.17 0.00 1.88 1.79 0.00 3.14 0.00 0.00 3.12 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 86 E 9.40 4.15 0.00 1.78 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.97 0.00 87 T 8.56 4.22 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 1.20 0.00 0.00 88 G 8.55 3.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 S 7.28 4.59 0.00 4.02 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 90 S 7.44 4.29 0.00 3.79 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 91 K 8.23 4.49 0.00 1.86 1.58 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.83 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.41 7.81 92 Y 8.73 4.22 0.00 2.93 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 93 P 0.00 2.97 0.00 1.78 1.26 0.00 3.64 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.73 0.00 94 N 7.45 4.54 0.00 2.76 2.76 0.00 0.00 6.89 7.53 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 95 C 8.28 4.28 0.00 3.13 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 96 A 8.82 5.12 1.15 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 0.00 0.00 0.00 0.00 0.00 0.00 97 Y 9.54 5.17 0.00 2.88 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 98 K 9.17 4.63 0.00 1.82 1.77 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.57 7.81 99 T 8.59 4.82 4.33 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 1.31 0.00 0.00 100 T 8.67 4.58 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 0.00 101 Q 8.84 4.70 0.00 1.92 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.73 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 102 A 8.60 4.54 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 0.00 103 N 8.58 5.73 0.00 2.54 2.74 0.00 0.00 7.04 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 K 8.25 4.75 0.00 1.70 1.93 0.00 1.72 0.00 0.00 1.86 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.49 7.81 105 H 9.31 5.02 0.00 3.16 3.34 0.00 5.57 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.65 4.86 1.85 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.31 1.13 0.00 0.00 107 I 8.27 4.93 1.75 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 1.15 0.74 0.80 0.00 0.00 108 V 8.70 4.81 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 0.71 0.00 0.00 0.80 0.00 0.00 109 A 8.77 5.00 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 0.00 110 C 8.51 5.10 0.00 2.03 1.71 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 0.00 111 E 8.70 4.70 0.00 1.98 1.68 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 2.19 2.28 0.00 112 G 9.03 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 0.00 113 N 8.23 5.00 0.00 2.66 2.71 0.00 0.00 6.92 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 P 0.00 4.34 0.00 2.23 2.05 0.00 3.83 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 115 Y 8.31 5.07 0.00 2.81 2.90 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 0.00 116 V 7.98 4.43 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 0.73 0.00 0.00 0.89 0.00 0.00 117 P 0.00 4.50 0.00 0.49 1.03 0.00 3.33 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.78 0.00 118 V 8.72 4.46 2.09 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 0.57 0.00 0.00 0.94 0.00 0.00 119 H 7.82 4.99 0.00 3.28 3.12 0.00 5.85 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 0.00 120 F 8.70 4.69 0.00 2.69 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 0.00 121 D 8.52 4.53 0.00 2.59 2.55 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 0.00 122 A 6.41 4.54 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 S 8.83 5.13 0.00 3.96 4.09 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 0.00 124 V 9.02 4.11 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 1.01 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.