NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 G 3.7654 8.3393 109.7061 44.7978 0.0000 174.9173 6 S 4.2620 8.5278 115.0986 55.4780 66.6413 173.0698 7 F 4.8870 8.3837 117.7871 55.7631 43.4211 175.6169 8 V 4.6063 9.1286 124.5369 61.2826 34.7210 173.5437 9 H 5.7135 9.0047 125.9773 54.5634 32.5113 172.3459 10 Q 4.7652 9.1859 124.3467 53.9772 32.2904 174.3414 11 F 4.9855 8.8192 124.6980 56.6488 41.9396 174.3572 12 Q 4.0893 8.3862 126.7233 53.2257 30.7174 173.3377 13 P 4.6378 0.0000 0.0000 61.9367 33.1974 175.7794 14 F 4.4577 8.9408 119.8189 56.2578 43.2004 172.9242 15 C 4.8470 8.6628 121.9016 55.4541 42.5511 172.9916 16 Y 4.4777 8.7286 123.8146 56.9354 38.7307 174.8704 17 F 5.4325 8.9644 123.2885 56.1216 41.4780 175.5448 18 T 4.5271 8.5335 118.8219 62.0278 72.4960 173.6105 19 N 4.3077 9.4513 124.3605 54.7271 37.9623 173.2332 20 G 4.2464 7.6247 111.7803 47.3874 0.0000 173.4530 21 T 4.3486 8.1314 115.1255 61.4525 68.9123 175.8691 22 Q 4.0152 7.8900 126.0371 59.0843 29.3961 176.3504 23 R 4.5804 8.0879 118.5085 54.7751 33.2803 173.9599 24 I 4.9898 8.5103 126.8689 59.4056 40.1711 174.9391 25 R 4.6436 8.8857 126.7481 54.2774 33.4028 173.7207 26 L 5.2033 9.1163 128.1997 53.3878 44.6524 174.9108 27 V 5.0103 9.0391 126.7487 61.1964 34.5139 174.1220 28 I 4.8903 9.3772 128.4999 59.6842 40.4783 174.4514 29 R 5.0135 8.6522 126.3895 54.6006 32.8642 174.6697 30 Y 4.9845 8.7079 120.9997 56.2786 40.4980 174.8634 31 I 5.3022 9.0290 124.9547 59.6937 41.7777 173.7270 32 Y 4.8762 9.8184 127.9203 58.4813 40.3073 176.0161 33 N 4.2082 10.0495 127.8622 54.0192 37.7204 175.1626 34 R 4.6274 8.9392 116.6034 56.0520 32.9803 174.1367 35 E 4.5766 8.7699 120.7748 54.1177 30.8560 174.6476 36 E 4.6843 8.9534 128.1631 56.2405 30.1662 175.0751 37 Y 4.8678 9.2447 125.5545 57.5646 40.4870 176.1770 38 V 5.0630 7.1236 118.1320 59.7841 35.3227 174.4642 39 R 5.3628 9.4526 123.6015 54.7247 33.9933 173.1667 40 F 4.8566 9.3572 128.3852 56.5129 41.5395 173.7082 41 D 5.0806 7.5331 125.2225 52.1051 41.8570 176.1795 42 S 3.9573 8.8964 122.5935 61.0926 63.1370 176.5873 43 D 4.5455 7.9408 120.5054 56.8017 40.8250 177.7360 44 V 3.6564 7.7434 118.8170 64.3619 31.7124 177.0445 45 G 4.0294 8.3481 105.9275 45.1658 0.0000 172.4303 46 E 4.8776 7.1432 115.0242 55.0225 32.3108 174.1668 47 Y 4.6905 9.0652 117.5423 58.6578 38.7180 176.0607 48 R 4.8778 9.0884 119.2245 54.7223 35.3191 173.9615 49 A 4.7423 8.5837 123.9674 51.4801 19.1435 177.5409 50 V 4.0345 9.3435 124.7644 65.1512 32.6348 175.9077 51 T 4.8299 7.7194 108.2684 58.6043 72.2012 173.9220 52 E 4.0391 8.9656 120.5807 59.9741 29.0158 179.7130 53 L 4.0662 8.0732 117.2120 57.0696 41.8627 178.7404 54 G 3.9787 8.5057 105.2334 45.8252 0.0000 175.9236 55 R 3.8997 7.6749 120.7769 59.1170 29.9488 177.0741 56 P 4.2797 0.0000 0.0000 64.6813 31.4006 177.5813 57 D 3.5319 7.3522 116.6675 55.8339 41.5052 177.8870 58 A 3.9445 7.7327 121.4032 55.6314 16.7980 178.7260 59 E 3.7870 7.7333 115.1645 60.2333 29.6307 178.7193 60 Y 4.4830 7.7984 118.1792 60.7751 38.8300 178.2150 61 W 4.4088 8.2528 119.9958 59.8393 28.8214 178.2036 62 N 4.7743 8.3469 115.4420 55.5350 37.9714 177.0062 63 K 4.2452 7.2961 118.8963 58.4729 33.0317 178.2237 64 Q 3.9793 7.7056 116.5467 56.5105 29.3811 176.8583 *67 Y 5.0487 7.4059 115.7746 57.3164 39.8468 176.3151 68 L 4.1608 7.7791 121.8615 58.7168 42.1767 179.0089 69 E 3.9898 8.1513 117.8172 59.3280 29.2621 179.2201 70 R 3.9248 7.9283 117.5714 59.5897 30.4750 178.3804 71 T 3.9909 7.9759 115.5166 66.6912 68.5151 176.8870 72 R 3.9867 8.1086 119.9589 59.3558 30.1174 178.8340 73 A 4.1743 8.1633 119.7162 54.4077 18.2681 179.1716 74 E 4.6864 8.1642 118.5488 58.2230 29.4508 178.7972 75 L 4.0157 7.9863 120.7072 57.3407 41.9051 177.9245 76 D 4.6327 7.7812 117.6082 56.2865 42.1465 178.6574 77 T 3.9996 8.4235 110.4357 64.1704 68.6368 174.4050 78 V 4.2630 8.1192 118.4414 64.4082 33.6248 176.2589 79 C 4.2987 8.2176 114.8896 60.8576 41.4183 176.2926 80 R 4.0144 8.4700 119.4559 59.8002 29.8199 178.2633 81 H 4.1514 8.1621 117.7738 59.4534 29.8500 176.9554 82 N 4.3246 8.7289 118.5417 56.4261 38.5169 176.6427 83 Y 3.7259 8.0292 120.8116 60.9547 38.6312 178.2192 84 E 4.1441 8.3781 117.8624 58.6085 29.7198 178.5063 84A K 4.3704 8.1516 117.0358 56.7402 33.0555 177.2957 85 T 4.4142 8.0332 107.6233 62.8550 70.9038 175.3616 86 E 3.9982 8.0158 121.2347 59.2626 30.1151 178.8234 87 T 3.6769 7.7683 115.7778 66.2628 68.4735 173.9268 88 P 4.4957 0.0000 0.0000 63.2292 31.9252 176.0209 89 T 4.3052 7.0440 106.3098 62.2724 70.6355 175.9979 90 S 4.1484 8.6437 116.1225 61.1979 63.6665 176.9871 91 L 4.1787 7.8930 117.2084 56.3974 41.4003 177.7159 92 R 4.3671 7.5739 117.4145 55.8581 30.7720 175.9785 93 R 4.0214 7.6512 118.7814 56.8260 30.3494 175.5536 94 L 5.0238 8.4946 124.4324 53.1803 45.0304 175.4179 95 E 4.7978 9.3935 123.6105 54.3559 32.5821 175.7153 96 Q 4.8405 9.1296 124.2141 54.6403 29.6053 174.4594 97 P 4.9037 0.0000 0.0000 62.9596 32.6753 175.5870 98 S 4.8146 9.0073 118.3849 57.4189 64.9857 173.3480 99 V 5.2456 8.1334 122.4368 60.2356 34.2501 174.9534 100 V 4.6680 8.3103 119.1117 60.1133 36.1711 173.6384 101 I 5.7243 8.7182 124.2534 59.3756 39.7833 174.9450 102 S 4.7474 8.3482 117.5670 57.1960 66.4696 172.2722 103 L 4.6347 8.2586 122.9465 53.9945 43.0404 176.4594 104 S 4.2545 8.6945 122.8744 61.4716 62.8103 174.8651 105 R 4.5571 7.8620 117.7686 54.0480 31.7392 176.6460 106 T 3.8943 8.3306 110.9742 61.6393 69.0547 173.7609 107 E 3.9052 8.7839 126.0196 56.7963 30.1860 176.3869 108 A 4.2508 8.3867 121.8611 51.3637 20.4668 175.7312 109 L 4.1432 8.5749 121.8630 57.6394 42.1194 178.0926 110 N 4.3944 9.0082 118.0629 53.8511 36.9507 173.7899 111 H 5.0656 7.5818 115.6388 53.7892 30.8096 174.1725 112 H 4.3355 8.7340 120.6524 57.2821 29.5380 174.1035 113 N 4.7540 9.0097 118.5749 53.7050 42.9889 172.5572 114 T 4.8543 7.9752 113.7986 62.1169 73.1638 173.0870 115 L 4.5934 8.2043 126.0790 53.0397 44.2056 175.6337 116 V 4.6402 8.7120 123.3814 61.3644 34.1149 173.4142 117 C 5.0211 9.5972 129.7450 55.4862 40.0432 172.6939 118 S 4.7825 9.2096 124.8141 57.4532 63.9283 173.7621 119 V 4.7331 8.5296 126.8906 61.4765 33.0097 174.6691 120 T 5.1155 8.6828 117.6906 59.7821 73.0252 173.2346 121 D 4.6083 8.6972 117.7279 55.3398 38.6542 173.7207 122 F 5.4061 7.3395 112.4137 55.9459 41.0490 173.7984 123 Y 5.3271 8.7814 119.8862 56.1872 42.6305 173.1556 124 P 3.7802 0.0000 0.0000 61.8041 32.8702 175.5884 125 A 3.4648 8.0651 121.2012 54.6369 18.3775 178.2955 126 K 3.9102 7.7207 117.3970 56.8245 32.5102 175.4527 127 I 4.5395 7.6912 124.4863 59.9313 41.1696 173.1333 128 K 4.5672 8.7607 127.4566 54.5527 35.3152 174.9286 129 V 4.7427 8.4461 126.4245 61.2070 33.9598 174.5906 130 R 4.7133 9.1236 126.4378 54.1114 34.3653 174.2953 131 W 5.1752 8.4231 120.8522 55.0541 32.1524 174.8129 132 F 5.3655 10.0145 122.6529 55.6813 42.8740 174.2604 133 R 4.6011 9.0029 122.5926 54.4389 32.5031 175.1259 134 N 4.4558 10.0117 127.0760 54.5014 36.3649 176.1017 135 G 3.9778 8.4424 104.8669 45.5803 0.0000 173.5886 136 Q 4.7127 7.6923 119.0045 53.8246 30.5232 174.6452 137 E 3.8637 8.7600 123.4335 55.8242 30.3258 175.8701 138 E 4.4458 8.8266 126.7023 55.8514 30.4797 174.8717 139 T 4.4264 7.7856 110.2608 62.9768 71.0637 176.0761 140 V 3.5260 7.9347 123.4012 64.8347 31.8677 177.1744 141 G 3.8680 7.9976 106.2240 45.4679 0.0000 172.2880 142 V 4.7433 7.5454 120.8414 61.6135 32.6098 175.3439 143 S 4.9386 9.0570 121.4335 56.9531 66.7623 172.5762 144 S 5.2168 8.3707 113.8248 57.3140 65.4911 173.4536 145 T 4.4478 8.3148 115.6146 60.6510 70.5637 173.9441 146 Q 4.2984 8.3815 121.1471 54.8457 29.7182 175.4377 147 L 4.2517 8.2792 121.5793 55.3791 42.8429 175.8387 148 I 4.3705 9.0444 128.1772 59.9753 37.6632 174.7270 149 R 4.3376 8.5215 128.1788 55.0325 30.4218 176.7816 150 N 4.3044 8.2794 124.9991 54.6430 38.7274 176.7877 151 G 3.8511 7.4611 104.5078 45.2578 0.0000 173.3055 152 D 4.9275 7.4558 117.4222 52.7584 39.6974 175.8460 153 W 3.4016 8.6718 116.5375 58.1613 25.9635 173.9058 154 T 4.9700 7.3693 105.8626 60.5132 72.1114 172.1159 155 F 5.2682 8.6603 121.4485 55.9457 43.3098 173.7314 156 Q 5.1987 8.7528 115.8894 55.7361 32.1354 173.8965 157 V 4.8877 9.1630 119.4940 60.5611 35.5903 172.9812 158 L 5.1836 8.8563 123.1062 53.0811 44.3923 175.3817 159 V 4.9148 8.6855 124.2349 61.5005 33.8823 174.3143 160 M 5.2142 9.2908 127.8576 53.7025 35.1500 174.7801 161 L 4.7028 7.9875 122.6475 53.0010 45.1790 174.9332 162 E 4.3804 8.8251 128.8694 56.0997 30.4039 175.3848 163 M 4.6911 8.6131 123.3301 54.7794 35.6075 173.5969 164 T 4.8427 8.2256 114.4918 60.7575 71.5617 172.4615 165 P 4.6651 0.0000 0.0000 63.1608 32.2942 175.8983 166 R 4.9552 9.0571 123.3114 53.4931 33.3710 175.4091 167 R 3.9165 8.3435 120.3920 57.8451 30.5409 177.1444 168 G 4.0321 8.8227 112.2289 45.4566 0.0000 173.6613 169 E 4.3862 7.7102 119.8349 56.3015 31.0946 176.1814 170 V 4.7423 8.7960 122.3089 61.5098 34.6736 173.6072 171 Y 5.2810 9.4611 126.2566 56.7826 40.4510 174.9272 172 T 5.3204 9.7035 120.7898 61.9913 72.5408 171.9653 173 C 4.2009 9.1115 127.0477 55.1145 44.2100 171.5324 174 H 5.2567 9.4758 127.0015 54.5041 31.9080 172.4825 175 V 4.7894 8.8079 126.6941 61.0558 34.1218 173.9463 176 E 4.9600 8.8772 127.1777 54.8741 32.5839 174.5172 177 H 4.9970 8.5309 121.9118 54.3244 32.9254 172.4045 178 P 4.4677 0.0000 0.0000 65.5959 31.4785 177.4827 179 S 4.4558 8.1859 110.6916 58.8171 63.5616 173.1499 180 L 4.9912 8.0329 122.5584 53.0944 43.7538 176.6369 181 T 4.0563 8.7487 114.1418 64.0174 69.1911 174.8739 182 S 4.8032 7.5440 115.6825 55.0814 66.1322 171.9624 183 P 4.4967 0.0000 0.0000 63.1797 32.1806 175.5583 184 I 4.5156 8.5480 123.7520 60.0135 39.0138 174.9742 185 T 5.1138 8.4223 116.1712 59.8637 71.9114 173.3662 186 V 4.5192 8.5933 122.5799 61.3961 34.9060 174.0937 187 E 5.4653 8.9859 126.2798 54.7042 32.3781 175.1389 188 W 5.1569 9.6259 131.6867 56.0387 34.1626 173.9011 189 R 5.1127 8.1963 125.0009 53.0658 32.6068 175.6804 190 A 3.5741 8.2504 122.8730 52.0355 18.1710 177.3887 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 5 G 8.34 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 6 S 8.53 4.26 0.00 3.93 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.38 4.89 0.00 3.12 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 8 V 9.13 4.61 2.02 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 0.97 0.00 0.00 0.90 0.00 0.00 9 H 9.00 5.71 0.00 3.41 3.31 0.00 5.72 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 Q 9.19 4.77 0.00 2.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.51 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 11 F 8.82 4.99 0.00 2.77 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 12 Q 8.39 4.09 0.00 1.94 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.69 0.00 0.00 0.00 0.00 0.00 2.10 2.17 0.00 13 P 0.00 4.64 0.00 1.77 1.54 0.00 3.10 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 14 F 8.94 4.46 0.00 2.97 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 0.00 0.00 0.00 0.00 15 C 8.66 4.85 0.00 2.63 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 0.00 0.00 0.00 0.00 16 Y 8.73 4.48 0.00 2.82 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 17 F 8.96 5.43 0.00 3.01 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 18 T 8.53 4.53 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 1.24 0.00 0.00 19 N 9.45 4.31 0.00 2.88 2.80 0.00 0.00 7.12 7.93 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 20 G 7.62 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 0.00 0.00 0.00 0.00 21 T 8.13 4.35 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 0.80 0.00 0.00 22 Q 7.89 4.02 0.00 2.09 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.69 0.00 0.00 0.00 0.00 0.00 2.38 2.30 0.00 23 R 8.09 4.58 0.00 1.83 1.73 0.00 3.08 0.00 0.00 3.17 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 24 I 8.51 4.99 1.86 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 1.36 0.84 0.68 0.00 0.00 25 R 8.89 4.64 0.00 1.83 1.78 0.00 3.16 0.00 0.00 2.95 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.50 0.00 26 L 9.12 5.20 0.00 1.80 1.67 1.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 27 V 9.04 5.01 2.40 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 1.12 0.00 0.00 1.07 0.00 0.00 28 I 9.38 4.89 2.18 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 1.24 0.76 0.96 0.00 0.00 29 R 8.65 5.01 0.00 1.83 1.89 0.00 3.31 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.77 0.00 30 Y 8.71 4.98 0.00 2.77 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 0.00 0.00 0.00 0.00 31 I 9.03 5.30 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 1.20 0.82 1.05 0.00 0.00 32 Y 9.82 4.88 0.00 3.09 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 33 N 10.05 4.21 0.00 2.51 2.50 0.00 0.00 6.85 7.54 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 34 R 8.94 4.63 0.00 1.74 1.88 0.00 3.16 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 35 E 8.77 4.58 0.00 2.04 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 2.38 2.32 0.00 36 E 8.95 4.68 0.00 2.05 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 2.37 0.00 37 Y 9.24 4.87 0.00 3.19 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 38 V 7.12 5.06 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 0.51 0.00 0.00 1.16 0.00 0.00 39 R 9.45 5.36 0.00 2.11 1.84 0.00 3.07 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.73 0.00 40 F 9.36 4.86 0.00 2.29 2.80 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 41 D 7.53 5.08 0.00 2.66 2.25 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 42 S 8.90 3.96 0.00 4.08 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 0.00 43 D 7.94 4.55 0.00 2.79 2.69 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 0.00 0.00 0.00 0.00 44 V 7.74 3.66 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 0.67 0.00 0.00 0.84 0.00 0.00 45 G 8.35 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 0.00 0.00 0.00 46 E 7.14 4.88 0.00 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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 74 E 8.16 4.69 0.00 2.15 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 2.31 2.30 0.00 75 L 7.99 4.02 0.00 1.89 1.76 1.02 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 76 D 7.78 4.63 0.00 2.86 2.70 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 77 T 8.42 4.00 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 1.28 0.00 0.00 78 V 8.12 4.26 2.23 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 1.16 0.00 0.00 0.94 0.00 0.00 79 C 8.22 4.30 0.00 3.32 3.08 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 80 R 8.47 4.01 0.00 2.10 2.18 0.00 3.15 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 81 H 8.16 4.15 0.00 3.41 3.60 0.00 5.84 0.00 0.00 0.00 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0.00 1.99 1.82 0.00 3.71 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.76 0.00 98 S 9.01 4.81 0.00 3.85 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 99 V 8.13 5.25 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 1.07 0.00 0.00 0.88 0.00 0.00 100 V 8.31 4.67 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 0.72 0.00 0.00 0.98 0.00 0.00 101 I 8.72 5.72 2.12 0.00 0.00 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 1.20 0.26 1.10 0.00 0.00 102 S 8.35 4.75 0.00 3.87 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 0.00 103 L 8.26 4.63 0.00 1.55 1.56 0.21 1.06 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 0.00 104 S 8.69 4.25 0.00 3.73 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 0.00 105 R 7.86 4.56 0.00 1.78 1.82 0.00 3.15 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 T 7.98 4.85 4.10 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 0.00 0.00 0.00 1.06 0.00 0.00 115 L 8.20 4.59 0.00 0.52 1.03 -0.04 -0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 116 V 8.71 4.64 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 0.99 0.00 0.00 0.90 0.00 0.00 117 C 9.60 5.02 0.00 2.90 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 0.00 118 S 9.21 4.78 0.00 3.83 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 0.00 119 V 8.53 4.73 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 0.88 0.00 0.00 0.86 0.00 0.00 120 T 8.68 5.12 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 1.29 0.00 0.00 121 D 8.70 4.61 0.00 2.91 2.84 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 0.00 122 F 7.34 5.41 0.00 3.02 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 0.00 123 Y 8.78 5.33 0.00 3.36 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 0.00 124 P 0.00 3.78 0.00 1.87 1.77 0.00 3.91 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.93 0.00 125 A 8.07 3.46 0.44 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 0.00 0.00 0.00 0.00 0.00 0.00 126 K 7.72 3.91 0.00 1.64 1.65 0.00 1.78 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.37 7.81 127 I 7.69 4.54 1.55 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.60 0.75 0.00 0.00 128 K 8.76 4.57 0.00 1.80 1.56 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.32 7.81 129 V 8.45 4.74 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 0.68 0.00 0.00 0.79 0.00 0.00 130 R 9.12 4.71 0.00 1.77 1.53 0.00 3.18 0.00 0.00 3.29 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 131 W 8.42 5.18 0.00 3.22 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 0.00 132 F 10.01 5.37 0.00 3.03 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 0.00 133 R 9.00 4.60 0.00 1.82 1.76 0.00 3.33 0.00 0.00 3.16 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.70 0.00 134 N 10.01 4.46 0.00 2.81 2.84 0.00 0.00 7.10 8.11 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 0.00 135 G 8.44 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 0.00 136 Q 7.69 4.71 0.00 2.32 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.96 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 137 E 8.76 3.86 0.00 1.74 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.66 0.00 138 E 8.83 4.45 0.00 2.14 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 2.37 2.48 0.00 139 T 7.79 4.43 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 140 V 7.93 3.53 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 0.79 0.00 0.00 0.92 0.00 0.00 141 G 8.00 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 0.00 0.00 0.00 142 V 7.55 4.74 2.24 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 1.02 0.00 0.00 1.05 0.00 0.00 143 S 9.06 4.94 0.00 3.88 3.88 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 0.00 144 S 8.37 5.22 0.00 3.89 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 T 8.31 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 1.28 0.00 0.00 146 Q 8.38 4.30 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.98 0.00 0.00 0.00 0.00 0.00 2.38 2.30 0.00 147 L 8.28 4.25 0.00 1.64 1.58 1.03 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 148 I 9.04 4.37 2.06 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 1.14 1.05 0.92 0.00 0.00 149 R 8.52 4.34 0.00 1.96 1.78 0.00 3.08 0.00 0.00 3.14 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.16 0.00 150 N 8.28 4.30 0.00 2.90 2.78 0.00 0.00 7.20 8.56 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 0.00 151 G 7.46 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 0.00 152 D 7.46 4.93 0.00 2.77 2.70 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 0.00 153 W 8.67 3.40 0.00 3.24 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 0.00 154 T 7.37 4.97 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 1.24 0.00 0.00 155 F 8.66 5.27 0.00 1.70 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 0.00 156 Q 8.75 5.20 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.71 0.00 0.00 0.00 0.00 0.00 2.38 2.34 0.00 157 V 9.16 4.89 2.28 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 0.79 0.00 0.00 1.00 0.00 0.00 158 L 8.86 5.18 0.00 1.66 1.65 0.95 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 159 V 8.69 4.91 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 1.31 0.00 0.00 0.96 0.00 0.00 160 M 9.29 5.21 0.00 1.94 1.93 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.49 0.00 161 L 7.99 4.70 0.00 0.27 0.13 0.75 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 162 E 8.83 4.38 0.00 1.92 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 2.27 2.21 0.00 163 M 8.61 4.69 0.00 1.92 1.88 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.56 0.00 164 T 8.23 4.84 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 165 P 0.00 4.67 0.00 2.40 2.56 0.00 3.83 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.08 0.00 166 R 9.06 4.96 0.00 2.10 1.86 0.00 3.16 0.00 0.00 3.11 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.77 0.00 167 R 8.34 3.92 0.00 1.75 1.84 0.00 3.29 0.00 0.00 3.21 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 168 G 8.82 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 0.00 0.00 0.00 169 E 7.71 4.39 0.00 2.18 1.73 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 2.27 2.28 0.00 170 V 8.80 4.74 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 1.05 0.00 0.00 0.93 0.00 0.00 171 Y 9.46 5.28 0.00 3.54 3.22 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 0.00 172 T 9.70 5.32 4.46 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 1.32 0.00 0.00 173 C 9.11 4.20 0.00 1.87 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 0.00 174 H 9.48 5.26 0.00 3.43 3.52 0.00 5.78 0.00 0.00 0.00 0.00 6.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 V 8.81 4.79 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 0.82 0.00 0.00 0.78 0.00 0.00 176 E 8.88 4.96 0.00 1.89 1.78 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 2.19 2.20 0.00 177 H 8.53 5.00 0.00 2.99 3.00 0.00 5.69 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 P 0.00 4.47 0.00 1.97 2.08 0.00 3.13 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.00 0.00 179 S 8.19 4.46 0.00 4.10 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 0.00 180 L 8.03 4.99 0.00 1.67 1.79 0.88 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 181 T 8.75 4.06 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 0.00 182 S 7.54 4.80 0.00 3.81 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 P 0.00 4.50 0.00 1.77 1.69 0.00 3.62 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 2.02 2.09 0.00 184 I 8.55 4.52 1.80 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.55 0.87 0.00 0.00 185 T 8.42 5.11 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 1.16 0.00 0.00 186 V 8.59 4.52 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 1.15 0.00 0.00 0.98 0.00 0.00 187 E 8.99 5.47 0.00 1.95 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 0.00 2.31 2.33 0.00 188 W 9.63 5.16 0.00 3.52 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 0.00 189 R 8.20 5.11 0.00 1.46 1.62 0.00 3.24 0.00 0.00 3.84 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.42 0.00 190 A 8.25 3.57 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 * Residues marked with a * may have inaccurate shift predictions.