NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 Q 4.1982 8.3449 121.7005 55.9029 30.2048 175.0324 7 C 4.2879 8.1560 120.6581 54.0258 42.3366 172.7610 8 D 4.4064 9.0339 126.3260 53.6480 40.2906 174.5697 9 F 5.2328 8.2856 121.9886 57.1134 39.2098 175.9025 10 G 4.0229 7.9517 110.5446 44.5847 0.0000 175.2912 11 G 3.2941 8.3887 120.4689 44.6933 0.0000 171.3371 12 P 4.4119 0.0000 0.0000 62.2440 32.4692 175.5472 13 F 4.8481 8.3961 117.0826 55.9963 41.2762 175.0549 14 Q 4.7696 9.0608 123.7436 54.0628 30.2445 176.5587 15 A 3.9396 8.8990 129.0859 55.5998 18.3965 178.9223 16 Y 3.9934 7.7768 115.4556 60.0460 38.0131 178.1484 17 K 3.3831 6.2420 119.6982 58.7894 31.6667 179.1087 18 S 4.1202 7.1528 112.6313 61.1652 62.3883 176.0661 19 V 3.4472 7.5650 120.3081 65.9769 31.5310 177.5895 20 N 4.4936 8.4494 116.3740 54.5833 38.5405 176.5208 21 G 4.8174 8.0890 108.9385 45.3113 0.0000 172.3148 22 P 4.4491 0.0000 0.0000 62.7963 31.3117 176.9369 23 G 3.9331 10.1046 107.2450 45.8067 0.0000 172.9464 24 N 4.7333 8.1351 114.1143 52.7101 40.6645 176.3862 25 G 3.7175 9.3154 106.7962 46.0635 0.0000 172.6821 26 G 4.4469 7.6516 108.6906 46.0494 0.0000 170.6765 27 Y 5.2884 8.9688 116.7998 56.4331 41.2307 175.0747 28 Y 5.1114 9.0797 121.3166 56.9038 40.3165 175.0651 29 L 3.0091 8.2640 125.5709 54.4956 41.1023 176.5723 30 R 4.1694 8.5853 128.4455 58.7315 31.1054 176.3033 31 K 4.9764 7.3136 116.2167 55.5248 37.0087 175.6819 32 T 5.4169 8.6511 115.7665 62.8348 70.4370 173.1006 33 T 4.4496 8.5498 107.6678 60.9316 70.2303 173.4591 34 K 3.7983 8.0656 122.7590 56.6385 32.3573 175.7483 *36 G 3.8203 8.1794 106.5234 45.2798 0.0000 173.1862 37 T 4.0371 7.9202 113.6827 60.5806 68.1685 172.0142 38 P 4.4232 0.0000 0.0000 62.4225 32.2126 176.3088 39 E 4.0883 8.7481 121.5771 57.9819 29.6790 177.7085 40 C 4.0739 9.2697 117.6895 57.8742 37.0888 173.1195 41 A 4.8063 7.9729 120.7351 52.9390 19.4816 176.9209 42 Y 5.5911 8.6498 117.4415 56.3297 42.0920 173.8913 43 V 5.1649 9.4699 112.6333 59.7959 36.1579 174.6815 44 L 5.2264 9.0191 122.6253 52.9090 43.7005 177.2780 45 V 3.9096 8.4432 115.9615 60.8498 32.1746 174.8018 46 P 4.5375 0.0000 0.0000 62.8336 31.8100 177.0072 47 Q 4.2001 8.7044 119.6630 57.7175 29.0615 176.2782 48 N 5.0937 7.7602 113.7576 50.4285 39.9189 174.3337 49 T 4.0489 8.4615 116.9270 64.1897 68.9792 173.9595 50 L 4.5379 8.6942 126.5919 53.9933 43.1101 176.1739 51 S 4.1457 8.4813 117.4638 55.6486 65.7922 173.1959 52 E 3.7750 7.4338 122.1537 58.0092 29.2738 176.9518 53 G 3.8942 9.0363 115.2341 45.2117 0.0000 173.0840 54 Q 4.5934 7.6484 118.9275 54.9331 30.8182 174.8447 55 S 5.0947 8.3691 114.5185 57.2280 66.1888 172.8058 56 T 4.6958 8.5385 115.7450 60.9423 71.4805 172.0645 57 S 5.2182 8.6490 117.5166 57.9102 63.4879 173.0593 58 F 5.1259 8.9902 119.0826 55.8991 41.7594 173.0857 59 T 4.8849 8.6504 116.9249 62.6568 70.5647 173.3553 60 Y 4.8094 7.9858 122.6857 55.4216 42.4979 173.9527 61 G 4.2298 7.3250 103.2200 47.7304 0.0000 171.7948 62 K 4.9840 7.4886 117.2391 56.5538 35.4414 173.9733 63 L 4.6193 8.7630 124.2442 55.2381 42.6711 175.9905 64 Q 4.2907 9.4283 128.2742 54.3575 32.0415 174.7380 65 N 4.3471 9.5759 125.9749 54.5461 35.7109 175.6845 66 G 3.9745 8.3073 103.9372 45.7225 0.0000 173.0380 67 Q 4.7610 7.6400 117.6647 54.1261 33.1824 174.6007 68 M 4.9459 8.5940 121.2877 54.4793 32.7770 176.1956 69 I 4.2663 8.5604 118.5315 60.4333 39.7720 174.8477 70 Q 5.0374 8.5418 122.1824 54.2594 31.7051 174.5880 71 L 4.7008 8.3933 122.4528 53.0906 46.3579 175.1426 72 T 4.9912 8.2074 115.4299 62.1637 71.4362 173.8026 73 A 4.7024 8.4182 125.4866 51.0929 23.3685 174.1371 74 T 5.3252 8.7906 112.5532 61.9757 71.8842 174.1521 75 V 4.9645 9.0433 125.4242 60.2236 34.6132 174.7174 76 T 5.1406 9.1039 118.7892 61.9161 72.8046 173.2635 77 V 4.9707 8.3172 117.4910 59.7167 35.2381 174.9828 78 N 5.2120 9.1126 123.5931 52.6590 42.7756 174.3891 79 G 3.8901 10.2724 116.0928 47.1983 0.0000 173.7877 80 D 5.0889 8.6033 123.2250 52.1399 39.7266 175.0702 81 K 4.9916 7.9531 119.6845 55.3869 34.7447 175.3200 82 I 4.5749 9.2936 126.7723 59.6570 39.4599 174.1682 83 E 4.9315 9.6184 130.7116 54.5560 31.3956 174.5852 84 V 4.9799 8.8812 128.1268 61.5011 34.1379 174.5654 85 T 4.7541 9.1035 117.2622 61.0107 72.0219 174.6220 86 G 4.0774 9.3752 112.3087 45.4855 0.0000 172.7508 87 A 4.8242 7.1433 121.6079 51.2312 18.5114 179.5882 *91 L 4.2104 8.8173 124.0083 56.3775 43.5666 175.9630 92 S 4.4417 7.9528 114.7870 57.8488 63.8641 174.2729 93 G 3.6564 7.2598 114.0723 45.5020 0.0000 170.5968 94 T 4.9881 8.1776 118.3419 62.2067 70.9225 173.6816 95 T 4.8187 9.0015 123.5543 62.0138 71.7161 173.3102 96 T 5.0473 8.4662 122.2743 61.8282 71.1926 174.0002 97 V 4.1090 8.6473 127.5310 62.3929 30.9773 175.7627 98 L 4.3197 8.5627 128.9376 57.2990 42.0748 177.3785 99 F 3.3806 7.3015 118.7228 56.3806 43.2468 172.8454 100 S 4.2305 5.8100 115.2391 58.0212 64.4801 175.8216 101 D 4.4148 7.8174 120.8955 52.1526 39.5529 175.5345 102 Y 3.9742 8.2596 116.0255 59.5738 36.2455 171.3342 103 R 4.5412 8.4040 115.9146 57.6195 32.8189 177.5157 104 S 4.6408 8.0786 107.5584 58.8341 66.0164 170.9524 105 C 5.2706 8.3507 112.8877 55.8813 44.2727 172.2321 106 D 5.1430 8.9786 119.0738 53.1507 45.8792 174.3240 107 V 4.9975 8.8517 121.3404 61.5986 34.3609 174.4082 108 M 5.4052 9.5488 126.5475 53.6023 36.8426 174.1474 109 R 4.8315 8.7791 121.1168 54.7573 31.7891 176.7648 110 G 4.0884 9.9830 116.3321 44.3370 0.0000 171.3668 111 P 4.7446 0.0000 0.0000 64.7553 32.0328 176.6546 112 D 4.8292 7.6168 120.6199 53.8106 40.1159 177.4116 113 G 3.7737 8.6082 116.6901 46.9025 0.0000 170.1568 114 N 4.1618 7.9803 127.5417 53.5787 45.7800 176.7223 115 Y 5.1495 8.3764 126.2318 57.9833 39.8807 172.8692 116 E 5.1802 9.7016 122.5706 54.5793 33.7897 174.3486 117 L 4.8756 8.4472 126.6751 53.4072 43.7983 174.9471 118 W 5.1969 9.2497 126.5189 54.9209 32.2300 175.0284 119 V 4.5994 8.6595 123.0850 60.9239 34.3783 174.3750 120 H 3.9840 8.3724 127.5578 55.9302 30.1959 176.0323 121 S 4.2695 8.5099 120.3467 62.0108 62.3218 177.2787 122 S 4.2549 8.2199 115.7894 60.0752 61.8391 175.0536 123 A 4.6354 7.7771 122.1021 51.7234 19.2929 177.8586 124 I 3.6355 7.3942 117.9124 63.5019 37.6913 175.9849 125 N 4.7391 7.3307 116.1675 53.4913 38.7682 174.9506 126 L 4.5507 7.3228 117.6944 53.8419 43.3626 176.7887 127 Q 4.2651 8.1766 118.2718 55.5811 29.0306 175.8762 128 S 4.1850 7.1713 112.0593 57.7563 65.5622 174.4453 129 Y 4.8859 8.3177 128.8900 60.4642 38.8411 176.9100 130 G 4.0726 7.4859 113.4429 46.1082 0.0000 176.7168 131 C 4.3681 8.7701 121.1206 59.7004 39.5152 176.1768 132 C 4.4127 8.3609 118.1253 60.1199 34.7774 174.9366 133 D 4.4242 8.6439 120.0324 58.0983 40.4831 178.8857 134 T 4.0001 7.7136 115.5971 66.2752 68.6117 177.0571 135 K 3.3611 8.3534 121.9864 59.1412 32.2537 178.7006 136 F 4.0776 8.6848 121.2586 60.9221 39.0765 177.0046 137 A 3.9402 7.7125 119.8478 55.0369 18.1650 179.0306 138 Q 4.0115 7.2746 115.4259 58.1994 29.1753 178.2882 139 V 3.4615 7.0463 111.8070 61.9093 32.1465 176.3859 140 A 4.6341 7.0450 121.1862 51.1329 19.2053 176.6066 141 G 3.6450 7.7602 109.3496 47.1589 0.0000 173.9066 142 G 4.3065 8.9061 115.2261 45.7653 0.0000 174.7260 143 R 4.1170 7.5922 116.8537 54.8946 30.6960 174.5642 144 P 4.4361 0.0000 0.0000 62.8790 31.9945 175.6716 145 I 4.7437 8.2014 121.3306 60.0022 39.6987 174.5295 146 H 4.5764 9.3293 125.3035 55.3681 30.3358 174.5654 147 H 4.9677 8.7775 121.0965 54.9806 27.7861 174.7384 148 T 4.1262 8.3238 120.9941 65.4725 69.9312 174.5877 149 W 4.4774 7.6771 131.2890 56.4248 31.5279 175.1854 150 Q 3.8968 6.8631 123.0365 53.2452 31.4319 176.3104 151 T 3.1174 7.3162 113.4259 64.7368 67.3271 174.1495 152 Y 4.4939 6.5160 117.0435 56.7594 38.3294 175.8486 153 C 4.5304 7.1634 118.9738 56.2691 40.7600 172.0716 154 P 4.5924 0.0000 0.0000 61.5144 31.6660 174.2881 155 P 4.7299 0.0000 0.0000 61.9321 31.8694 176.5302 156 L 3.8809 8.0494 119.8457 53.3871 42.3469 175.7011 157 P 4.3671 0.0000 0.0000 63.1896 31.1570 176.2038 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 6 Q 8.34 4.20 0.00 1.98 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.64 0.00 0.00 0.00 0.00 0.00 2.14 2.31 0.00 7 C 8.16 4.29 0.00 1.23 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 8 D 9.03 4.41 0.00 2.56 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 9 F 8.29 5.23 0.00 3.16 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 10 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 11 G 8.39 3.29 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 0.00 12 P 0.00 4.41 0.00 2.16 2.03 0.00 3.62 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.94 0.00 13 F 8.40 4.85 0.00 3.31 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 Q 9.06 4.77 0.00 1.50 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.72 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 15 A 8.90 3.94 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 16 Y 7.78 3.99 0.00 3.10 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 17 K 6.24 3.38 0.00 0.79 0.74 0.00 1.48 0.00 0.00 0.94 0.00 0.00 2.73 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.90 0.21 7.81 18 S 7.15 4.12 0.00 3.93 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 19 V 7.56 3.45 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 0.71 0.00 0.00 0.72 0.00 0.00 20 N 8.45 4.49 0.00 2.74 2.86 0.00 0.00 7.07 7.13 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 21 G 8.09 4.82 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 0.00 0.00 0.00 22 P 0.00 4.45 0.00 2.13 2.21 0.00 3.97 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.73 0.00 23 G 10.10 3.93 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 0.00 0.00 0.00 24 N 8.14 4.73 0.00 2.80 2.78 0.00 0.00 6.22 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 25 G 9.32 3.72 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 0.00 0.00 0.00 26 G 7.65 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.97 5.29 0.00 2.99 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 28 Y 9.08 5.11 0.00 2.81 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 29 L 8.26 3.01 0.00 0.27 1.23 0.15 0.82 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 30 R 8.59 4.17 0.00 1.70 1.74 0.00 3.27 0.00 0.00 2.82 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 31 K 7.31 4.98 0.00 0.92 1.56 0.00 1.73 0.00 0.00 1.85 0.00 0.00 2.79 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.38 1.22 7.81 32 T 8.65 5.42 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 1.22 0.00 0.00 33 T 8.55 4.45 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 34 K 8.07 3.80 0.00 1.73 1.79 0.00 1.81 0.00 0.00 1.73 0.00 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.45 7.81 *36 G 8.18 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 0.00 0.00 0.00 37 T 7.92 4.04 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 1.26 0.00 0.00 38 P 0.00 4.42 0.00 2.16 2.04 0.00 3.79 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 2.09 2.16 0.00 39 E 8.75 4.09 0.00 2.14 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 2.49 2.41 0.00 40 C 9.27 4.07 0.00 3.43 3.43 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 41 A 7.97 4.81 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 42 Y 8.65 5.59 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 43 V 9.47 5.16 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.84 0.00 0.00 44 L 9.02 5.23 0.00 1.63 1.68 1.06 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.44 3.91 2.16 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 1.00 0.00 0.00 1.04 0.00 0.00 46 P 0.00 4.54 0.00 2.26 2.05 0.00 3.69 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 2.00 2.09 0.00 47 Q 8.70 4.20 0.00 2.08 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.74 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 48 N 7.76 5.09 0.00 2.79 2.77 0.00 0.00 6.05 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 49 T 8.46 4.05 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 1.24 0.00 0.00 50 L 8.69 4.54 0.00 1.69 1.59 0.88 0.69 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 51 S 8.48 4.15 0.00 3.82 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 E 7.43 3.77 0.00 1.56 1.63 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 2.24 2.30 0.00 53 G 9.04 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 54 Q 7.65 4.59 0.00 2.10 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.70 0.00 0.00 0.00 0.00 0.00 2.28 2.19 0.00 55 S 8.37 5.09 0.00 3.92 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 56 T 8.54 4.70 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 1.26 0.00 0.00 57 S 8.65 5.22 0.00 3.96 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 58 F 8.99 5.13 0.00 3.14 3.04 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 59 T 8.65 4.88 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 1.28 0.00 0.00 60 Y 7.99 4.81 0.00 3.02 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 61 G 7.33 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 0.00 0.00 0.00 0.00 62 K 7.49 4.98 0.00 2.04 1.99 0.00 1.74 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.33 1.20 7.81 63 L 8.76 4.62 0.00 1.82 1.85 1.03 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 64 Q 9.43 4.29 0.00 2.10 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.15 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 65 N 9.58 4.35 0.00 2.91 2.86 0.00 0.00 7.21 7.65 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 66 G 8.31 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 67 Q 7.64 4.76 0.00 1.94 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.84 0.00 0.00 0.00 0.00 0.00 2.26 2.45 0.00 68 M 8.59 4.95 0.00 1.95 2.03 0.00 0.00 0.00 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.53 0.00 69 I 8.56 4.27 1.85 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 1.44 0.64 0.93 0.00 0.00 70 Q 8.54 5.04 0.00 1.87 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.83 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 71 L 8.39 4.70 0.00 0.27 1.19 0.79 0.41 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 72 T 8.21 4.99 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 1.19 0.00 0.00 73 A 8.42 4.70 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 T 8.79 5.33 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 75 V 9.04 4.96 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.64 0.00 0.00 76 T 9.10 5.14 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 1.30 0.00 0.00 77 V 8.32 4.97 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 0.70 0.00 0.00 1.04 0.00 0.00 78 N 9.11 5.21 0.00 2.75 2.67 0.00 0.00 6.48 7.67 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 79 G 10.27 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 80 D 8.60 5.09 0.00 3.01 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 81 K 7.95 4.99 0.00 1.82 1.73 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.54 7.81 82 I 9.29 4.57 1.71 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 0.91 0.57 0.65 0.00 0.00 83 E 9.62 4.93 0.00 1.91 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.21 0.00 84 V 8.88 4.98 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 0.98 0.00 0.00 0.84 0.00 0.00 85 T 9.10 4.75 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 1.21 0.00 0.00 86 G 9.38 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 0.00 0.00 0.00 0.00 87 A 7.14 4.82 0.37 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 *91 L 8.82 4.21 0.00 1.42 1.46 1.06 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 92 S 7.95 4.44 0.00 3.88 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 93 G 7.26 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 T 8.18 4.99 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 1.20 0.00 0.00 95 T 9.00 4.82 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 1.20 0.00 0.00 96 T 8.47 5.05 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 1.27 0.00 0.00 97 V 8.65 4.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.88 0.00 0.00 98 L 8.56 4.32 0.00 1.63 1.72 1.15 0.84 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 99 F 7.30 3.38 0.00 2.97 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 0.00 100 S 5.81 4.23 0.00 3.68 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 0.00 101 D 7.82 4.41 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 0.00 102 Y 8.26 3.97 0.00 3.06 2.94 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 0.00 103 R 8.40 4.54 0.00 1.99 1.90 0.00 3.43 0.00 0.00 3.32 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.55 0.00 104 S 8.08 4.64 0.00 3.83 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 0.00 105 C 8.35 5.27 0.00 3.02 3.19 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 0.00 106 D 8.98 5.14 0.00 2.51 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.85 5.00 2.22 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 1.17 0.00 0.00 1.16 0.00 0.00 108 M 9.55 5.41 0.00 2.02 2.10 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.69 0.00 109 R 8.78 4.83 0.00 2.02 1.84 0.00 3.10 0.00 0.00 3.14 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.26 0.00 110 G 9.98 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 0.00 0.00 0.00 111 P 0.00 4.74 0.00 2.05 2.13 0.00 3.75 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 112 D 7.62 4.83 0.00 2.61 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 G 8.61 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 0.00 0.00 0.00 114 N 7.98 4.16 0.00 2.63 1.50 0.00 0.00 7.09 7.48 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 0.00 115 Y 8.38 5.15 0.00 2.91 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 0.00 116 E 9.70 5.18 0.00 2.23 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 2.30 2.38 0.00 117 L 8.45 4.88 0.00 0.29 0.70 0.98 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 118 W 9.25 5.20 0.00 3.24 3.23 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 0.00 119 V 8.66 4.60 1.65 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 0.43 0.00 0.00 0.02 0.00 0.00 120 H 8.37 3.98 0.00 2.58 2.89 0.00 5.66 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 S 8.51 4.27 0.00 4.04 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 0.00 122 S 8.22 4.25 0.00 4.06 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 0.00 123 A 7.78 4.64 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 0.00 124 I 7.39 3.64 1.68 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.19 -0.36 0.78 0.00 0.00 125 N 7.33 4.74 0.00 2.90 2.84 0.00 0.00 6.98 7.73 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 0.00 126 L 7.32 4.55 0.00 1.49 1.61 1.09 0.82 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 0.00 127 Q 8.18 4.27 0.00 1.94 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.63 0.00 0.00 0.00 0.00 0.00 2.24 2.23 0.00 128 S 7.17 4.19 0.00 3.68 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 0.00 129 Y 8.32 4.89 0.00 3.18 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 0.00 130 G 7.49 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 0.00 131 C 8.77 4.37 0.00 3.01 2.66 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 0.00 0.00 0.00 0.00 132 C 8.36 4.41 0.00 3.30 3.28 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 0.00 133 D 8.64 4.42 0.00 3.06 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 0.00 134 T 7.71 4.00 4.51 0.00 0.00 0.00 0.00 0.00 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 0.00 135 K 8.35 3.36 0.00 1.38 1.72 0.00 1.01 0.00 0.00 0.61 0.00 0.00 2.83 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.45 1.38 7.81 136 F 8.68 4.08 0.00 3.21 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 0.00 137 A 7.71 3.94 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 0.00 138 Q 7.27 4.01 0.00 1.66 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.91 0.00 0.00 0.00 0.00 0.00 2.23 2.44 0.00 139 V 7.05 3.46 0.67 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 0.36 0.00 0.00 0.55 0.00 0.00 140 A 7.04 4.63 0.64 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 0.00 141 G 7.76 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 0.00 142 G 8.91 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 R 7.59 4.12 0.00 1.80 1.91 0.00 3.26 0.00 0.00 3.33 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 144 P 0.00 4.44 0.00 2.23 2.08 0.00 3.73 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.02 0.00 145 I 8.20 4.74 1.94 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.88 0.97 0.00 0.00 146 H 9.33 4.58 0.00 3.11 3.25 0.00 5.79 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 H 8.78 4.97 0.00 3.06 3.32 0.00 5.70 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 0.00 148 T 8.32 4.13 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 1.28 0.00 0.00 149 W 7.68 4.48 0.00 3.20 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 0.00 150 Q 6.86 3.90 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.66 0.00 0.00 0.00 0.00 0.00 1.92 1.76 0.00 151 T 7.32 3.12 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 1.03 0.00 0.00 152 Y 6.52 4.49 0.00 2.98 2.96 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 0.00 153 C 7.16 4.53 0.00 2.68 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 0.00 154 P 0.00 4.59 0.00 2.09 2.03 0.00 3.80 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.16 0.00 155 P 0.00 4.73 0.00 2.06 2.04 0.00 3.76 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 156 L 8.05 3.88 0.00 1.42 1.23 0.50 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 157 P 0.00 4.37 0.00 2.17 2.02 0.00 3.19 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 * Residues marked with a * may have inaccurate shift predictions.