NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 P 4.3385 0.0000 0.0000 62.2262 33.5102 176.3094 9 S 4.3282 7.8406 112.6101 56.9192 64.0039 171.4842 10 D 4.8741 9.0352 117.4543 53.8784 43.5189 176.5669 11 M 4.2799 7.8964 118.1229 54.1901 32.9313 174.1395 12 P 4.7889 0.0000 0.0000 63.4015 32.6141 175.5982 13 V 5.0586 8.6437 121.6792 60.9554 35.1732 172.7803 14 A 4.8596 9.0495 123.1126 51.4085 23.2359 175.4368 15 H 4.8136 9.6551 121.7172 55.4158 32.3292 172.5704 16 V 4.9271 8.9230 119.3968 59.5926 34.9447 175.3017 17 V 5.4828 8.8518 114.8559 59.2166 36.1561 175.0338 18 A 4.1711 8.5556 124.0317 52.1578 19.1497 177.1646 19 N 4.4690 8.7035 121.8132 52.1247 39.3664 174.0199 20 P 3.2153 0.0000 0.0000 63.9465 31.4907 176.8179 21 Q 4.2461 8.1520 117.3539 56.2252 29.7151 176.2323 22 A 4.5331 7.2140 123.7026 49.8542 17.7925 175.9545 23 E 4.3901 8.0218 119.3232 56.9117 30.6244 178.5484 24 G 3.9167 9.0802 107.8698 46.0883 0.0000 172.9818 25 Q 4.3754 7.9186 118.6278 54.0896 32.2142 174.3616 26 L 4.1659 8.2217 124.6912 53.2881 42.0814 174.9207 27 Q 4.5473 7.7659 127.3896 53.6273 31.4762 174.4328 28 W 5.1268 9.2713 127.7573 56.7397 30.0760 175.7590 29 L 4.9646 9.4539 125.4439 53.5239 44.6329 176.4876 30 N 4.7464 8.8951 121.3169 53.7625 39.2952 176.0551 31 R 4.2985 7.8193 117.9696 54.9190 27.4001 175.3474 32 R 4.4059 7.4800 117.1761 54.8046 34.1589 174.3428 33 A 4.0198 8.5413 123.8194 53.7742 18.8564 177.2491 34 N 4.3098 8.9769 116.9985 54.0378 35.8433 173.8227 35 A 5.1182 7.6029 117.5526 50.3140 22.5171 176.4115 36 L 4.7116 8.7389 118.1875 53.5565 46.6351 176.0270 37 L 4.8212 8.3123 120.4644 54.6963 43.6575 172.8852 38 A 4.6085 8.9263 126.8662 49.7309 23.8881 174.8478 39 N 4.0172 9.9450 112.7666 54.9601 36.0550 175.3604 40 G 4.1188 8.5337 106.8510 45.6084 0.0000 175.3341 41 V 4.0038 7.4870 118.8713 63.0664 32.2924 175.2451 42 E 4.8065 8.7330 125.6075 54.4827 34.3049 174.1416 43 L 5.1251 8.4528 123.2692 53.5838 43.9119 175.9680 44 R 4.5692 8.9032 125.3501 55.8508 33.8959 174.8232 45 D 4.3865 9.8036 120.8802 55.3591 39.7316 173.2928 46 N 4.5580 8.6579 111.0625 53.6249 37.6381 172.8491 47 Q 5.0926 8.3699 115.3054 53.9673 32.6363 174.4901 48 L 4.6547 8.7919 122.5777 54.0642 43.3460 175.8126 49 V 4.5679 8.7373 124.4657 61.0214 33.5932 174.8953 50 V 3.6731 8.4207 129.1465 62.4011 31.9415 175.2034 51 P 4.2573 0.0000 0.0000 65.1348 31.5535 176.3354 52 S 4.7525 7.5804 108.2935 56.1506 66.1707 173.3574 53 E 4.8560 8.0032 118.3197 55.5935 30.0393 176.6251 54 G 4.2963 8.2357 107.0141 43.7684 0.0000 171.4370 55 L 4.9664 7.8661 119.8737 54.3975 43.1686 176.1002 56 Y 5.1783 9.4036 120.4481 56.1114 42.4036 174.1111 57 L 5.0978 9.0153 125.9607 54.2517 43.8383 175.3701 58 I 5.2717 9.0940 119.7144 59.6500 40.6698 173.7957 59 Y 5.2231 8.2915 121.1619 56.8541 41.8128 172.9613 60 S 4.6953 8.4561 112.3649 57.6311 66.5587 173.5843 61 Q 4.9152 8.5039 126.0367 54.3868 32.4042 174.2522 62 V 4.6811 8.4269 117.6359 59.3463 36.4742 174.1525 63 L 5.0674 7.9460 123.2021 53.4412 45.3242 175.0236 64 F 5.5486 9.3411 124.9718 56.0993 42.0284 174.6872 65 S 3.7601 8.9855 115.5560 56.9089 66.1525 173.6731 66 G 3.5011 5.8694 107.1585 44.5067 0.0000 174.0548 67 Q 4.2247 8.7208 122.1928 57.6644 29.1382 176.4212 68 G 4.3140 7.4019 104.6279 44.1927 0.0000 173.4596 69 C 4.3473 8.7523 118.7444 55.6070 39.3096 172.2099 70 P 4.4094 0.0000 0.0000 63.1199 31.4276 177.4451 71 S 4.2322 8.7417 116.1811 60.5247 62.6137 173.2951 72 T 4.5958 6.9255 110.1482 59.5023 70.2207 172.3768 73 H 4.2315 8.7263 124.0201 56.0304 29.8768 174.4532 74 V 4.4736 7.8735 126.1002 59.7270 34.0827 174.7588 75 L 4.7670 8.3480 121.8567 52.9653 44.3722 175.5346 76 L 4.6644 8.9056 123.7259 53.0754 44.0265 175.6692 77 T 5.2213 9.3427 113.8857 60.2371 72.6194 172.4439 78 H 5.6529 9.0223 122.4232 55.0529 33.6171 172.1189 79 T 5.1041 9.0160 114.7070 60.2233 72.7402 172.5016 80 I 4.8431 8.8743 125.0979 59.5891 39.7044 174.8941 81 S 5.1290 8.9579 121.3419 56.3514 66.8560 172.7026 82 R 5.0326 8.9555 121.2155 54.5803 32.9178 174.3664 83 I 4.7301 8.6013 126.4504 59.8265 39.8955 175.2655 84 S 5.2756 8.4399 123.2897 56.3926 64.9039 175.7032 85 T 4.0730 8.6210 110.8947 63.5229 68.8938 175.2014 86 T 4.3532 7.7657 110.5982 61.6978 69.6400 173.8475 87 H 4.7532 7.8944 122.2723 54.5734 31.2419 173.1132 88 N 4.1286 8.7972 125.4255 56.0633 38.7018 176.3989 89 Q 4.0592 7.5670 117.2678 54.8048 29.2498 174.1874 90 P 4.6469 0.0000 0.0000 62.6202 32.5510 175.8554 91 V 4.4322 8.4569 121.9905 61.0598 34.6752 174.2273 92 N 4.8755 8.7947 125.3671 53.3299 38.4058 174.8599 93 L 4.2605 8.6576 125.0675 56.6625 42.9054 177.7632 94 L 4.8895 7.4891 117.3136 53.1998 46.0496 175.5660 95 S 5.1160 8.5627 116.1443 57.2547 65.6490 172.7894 96 A 4.9279 9.0591 126.5986 50.5934 23.0711 174.8730 97 I 5.0991 8.2577 118.5255 59.6696 41.3462 175.0393 98 R 4.7112 9.2552 125.8652 54.5186 33.9431 174.0188 99 S 4.9533 8.4781 120.1431 55.9905 64.1110 171.9804 100 P 4.5247 0.0000 0.0000 60.8814 32.0972 175.3941 101 C 4.2133 7.8528 115.4148 55.9499 41.9063 173.4233 102 Q 4.2352 8.1496 121.3343 56.0467 29.0288 176.1053 *111 A 4.3903 8.0372 118.5585 51.4153 20.3265 177.8206 112 N 5.0402 7.8568 108.6710 51.9467 40.9067 172.9835 113 P 4.6393 0.0000 0.0000 62.6762 32.1788 175.6616 114 W 5.1076 8.5069 119.9616 55.0186 31.4512 174.0039 115 Y 5.1587 8.8004 117.5329 56.5535 41.1417 174.9595 116 E 4.8446 9.9045 122.9815 54.3510 33.1531 172.9990 117 P 4.9928 0.0000 0.0000 62.1171 33.5251 175.5543 118 I 4.8244 8.7979 121.3721 59.9675 41.3317 173.4982 119 Y 5.1489 8.9307 127.4612 55.7552 41.3673 174.5237 120 L 4.9173 7.9258 125.5036 53.0731 45.9847 175.7703 121 G 4.4075 8.3649 105.7177 45.8878 0.0000 172.5204 122 G 4.2280 8.6926 109.4784 45.9121 0.0000 171.8580 123 V 5.0234 8.0976 119.7783 61.2797 33.1640 174.9431 124 F 4.8928 9.3397 125.3490 55.7801 43.8669 173.4117 125 Q 4.8335 8.9311 123.7224 55.8658 29.7479 174.8020 126 L 5.0693 9.2685 125.9407 53.0269 46.0488 175.0981 127 E 5.0986 9.5244 118.9984 53.5925 33.5321 174.3226 128 P 4.5420 0.0000 0.0000 64.4735 31.7746 177.3609 129 G 3.9796 9.1720 111.1609 45.2283 0.0000 173.6564 130 D 4.6213 7.9309 120.1724 54.6913 42.3194 175.5386 131 R 4.6697 9.0406 121.2742 54.4459 32.9376 174.7591 132 L 5.1753 9.2377 124.3612 52.9826 44.4220 175.3829 133 S 5.0338 8.9349 117.6805 56.3037 65.5896 172.4463 134 A 4.7135 8.4307 127.9943 50.2258 20.3878 174.9804 135 E 4.9580 9.1772 120.7966 55.2412 34.4061 174.9537 136 I 5.6941 8.5873 113.8790 58.5513 40.3831 174.7697 137 N 4.6319 8.3917 116.0934 53.6049 38.6810 175.8198 138 R 4.6481 7.8953 118.8470 53.1595 30.6445 173.8781 139 P 4.4168 0.0000 0.0000 64.8173 31.9478 179.2691 140 D 4.3039 7.9624 117.8331 55.6576 39.6466 176.1942 141 Y 4.8859 7.8230 116.2439 57.5888 39.3948 175.5516 142 L 4.1839 7.6941 122.4734 55.1345 42.9227 175.7386 143 D 4.5241 8.8521 126.3033 51.9023 42.3139 175.3241 144 F 5.0118 7.3121 122.7883 56.3095 38.5555 177.1875 145 A 4.3726 8.6045 127.0721 55.5488 18.3229 178.5226 146 E 4.8632 7.7302 114.5592 54.2234 33.4677 175.6177 147 S 4.4280 8.5149 117.1143 60.1225 63.3759 175.2954 148 G 4.1226 8.9631 110.4840 45.9958 0.0000 174.3738 149 Q 4.3744 7.6887 118.1982 57.1390 29.6003 176.1818 150 V 4.7936 7.8686 117.7563 61.2537 34.6534 173.9697 151 Y 5.7122 8.9707 125.0957 56.4461 42.2506 173.5520 152 F 5.0081 8.9367 122.0907 57.0078 42.8641 173.2803 153 G 3.9916 8.5865 112.4322 44.6673 0.0000 171.1513 154 I 5.2614 8.5692 112.9206 59.6803 41.5672 173.7785 155 I 5.0459 8.9158 123.1338 59.7111 41.7464 173.5968 156 A 3.6545 8.6310 132.0356 51.4161 18.9994 177.5086 157 L 4.1578 8.1120 121.5027 54.7973 41.9074 176.5217 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 8 P 0.00 4.34 0.00 2.05 2.18 0.00 3.64 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 1.92 2.07 0.00 9 S 7.84 4.33 0.00 4.05 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 10 D 9.04 4.87 0.00 2.59 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 M 7.90 4.28 0.00 2.11 1.94 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.47 0.00 12 P 0.00 4.79 0.00 2.20 2.10 0.00 3.53 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 2.16 2.30 0.00 13 V 8.64 5.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.99 0.00 0.00 14 A 9.05 4.86 1.02 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 15 H 9.66 4.81 0.00 3.27 3.20 0.00 5.74 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 V 8.92 4.93 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 0.57 0.00 0.00 0.65 0.00 0.00 17 V 8.85 5.48 2.29 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 0.90 0.00 0.00 1.03 0.00 0.00 18 A 8.56 4.17 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 19 N 8.70 4.47 0.00 2.81 2.52 0.00 0.00 6.74 7.22 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 20 P 0.00 3.22 0.00 2.15 2.04 0.00 3.65 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.92 0.00 21 Q 8.15 4.25 0.00 2.02 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.25 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 22 A 7.21 4.53 1.21 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 0.00 0.00 0.00 23 E 8.02 4.39 0.00 2.14 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 2.31 2.41 0.00 24 G 9.08 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Q 7.92 4.38 0.00 1.89 2.01 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 2.18 2.21 0.00 26 L 8.22 4.17 0.00 1.38 1.33 -0.19 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 27 Q 7.77 4.55 0.00 2.02 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.88 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 28 W 9.27 5.13 0.00 3.27 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 29 L 9.45 4.96 0.00 1.78 1.49 0.99 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.90 4.75 0.00 2.85 2.90 0.00 0.00 6.15 7.66 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 31 R 7.82 4.30 0.00 1.83 1.95 0.00 3.25 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 32 R 7.48 4.41 0.00 1.84 1.79 0.00 3.16 0.00 0.00 3.37 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 33 A 8.54 4.02 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 34 N 8.98 4.31 0.00 2.92 2.96 0.00 0.00 6.70 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 A 7.60 5.12 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.74 4.71 0.00 1.64 1.51 0.94 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.31 4.82 0.00 1.56 1.51 0.87 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.93 4.61 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 N 9.94 4.02 0.00 2.97 3.00 0.00 0.00 7.11 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 40 G 8.53 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 0.00 0.00 0.00 41 V 7.49 4.00 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 0.75 0.00 0.00 1.02 0.00 0.00 42 E 8.73 4.81 0.00 1.83 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 2.20 2.38 0.00 43 L 8.45 5.13 0.00 1.60 1.56 0.99 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 44 R 8.90 4.57 0.00 1.82 1.75 0.00 3.32 0.00 0.00 3.09 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 45 D 9.80 4.39 0.00 2.76 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 46 N 8.66 4.56 0.00 2.95 3.03 0.00 0.00 7.02 7.08 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 47 Q 8.37 5.09 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.40 6.71 0.00 0.00 0.00 0.00 0.00 2.33 2.55 0.00 48 L 8.79 4.65 0.00 1.24 1.27 -0.48 0.77 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 49 V 8.74 4.57 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 0.89 0.00 0.00 0.91 0.00 0.00 50 V 8.42 3.67 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 0.44 0.00 0.00 0.51 0.00 0.00 51 P 0.00 4.26 0.00 2.15 2.12 0.00 3.85 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.24 0.00 52 S 7.58 4.75 0.00 4.02 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 53 E 8.00 4.86 0.00 2.16 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 2.31 2.31 0.00 54 G 8.24 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 0.00 0.00 0.00 55 L 7.87 4.97 0.00 1.60 1.62 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 56 Y 9.40 5.18 0.00 2.93 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 L 9.02 5.10 0.00 1.87 1.67 1.09 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 58 I 9.09 5.27 1.91 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.91 1.03 0.00 0.00 59 Y 8.29 5.22 0.00 3.13 3.21 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 0.00 60 S 8.46 4.70 0.00 3.65 3.49 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.50 4.92 0.00 1.87 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.46 0.00 0.00 0.00 0.00 0.00 2.20 2.47 0.00 62 V 8.43 4.68 1.48 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 0.29 0.00 0.00 0.50 0.00 0.00 63 L 7.95 5.07 0.00 1.81 1.43 1.07 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 64 F 9.34 5.55 0.00 3.20 3.05 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 65 S 8.99 3.76 0.00 2.72 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 66 G 5.87 3.50 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 67 Q 8.72 4.22 0.00 2.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.67 0.00 0.00 0.00 0.00 0.00 2.28 2.21 0.00 68 G 7.40 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 69 C 8.75 4.35 0.00 3.00 3.05 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 70 P 0.00 4.41 0.00 2.13 2.02 0.00 3.39 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 2.05 0.00 71 S 8.74 4.23 0.00 3.85 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 72 T 6.93 4.60 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 1.22 0.00 0.00 73 H 8.73 4.23 0.00 3.11 3.19 0.00 5.72 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 V 7.87 4.47 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 0.55 0.00 0.00 0.95 0.00 0.00 75 L 8.35 4.77 0.00 1.45 1.52 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 76 L 8.91 4.66 0.00 1.28 0.50 0.65 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 77 T 9.34 5.22 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 1.20 0.00 0.00 78 H 9.02 5.65 0.00 3.43 3.21 0.00 5.75 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 T 9.02 5.10 4.19 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 1.21 0.00 0.00 80 I 8.87 4.84 1.71 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.41 0.78 0.00 0.00 81 S 8.96 5.13 0.00 3.85 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 82 R 8.96 5.03 0.00 1.68 1.70 0.00 2.96 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.48 0.00 83 I 8.60 4.73 1.85 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 1.19 0.58 0.88 0.00 0.00 84 S 8.44 5.28 0.00 3.81 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 85 T 8.62 4.07 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 1.20 0.00 0.00 86 T 7.77 4.35 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 87 H 7.89 4.75 0.00 3.13 3.18 0.00 5.78 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 N 8.80 4.13 0.00 2.73 2.84 0.00 0.00 7.20 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 89 Q 7.57 4.06 0.00 1.82 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.99 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 90 P 0.00 4.65 0.00 1.90 1.94 0.00 3.57 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.04 0.00 91 V 8.46 4.43 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 0.95 0.00 0.00 1.04 0.00 0.00 92 N 8.79 4.88 0.00 2.64 2.73 0.00 0.00 7.07 7.85 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 93 L 8.66 4.26 0.00 1.18 0.65 0.25 0.89 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 94 L 7.49 4.89 0.00 1.48 1.51 1.06 1.05 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 95 S 8.56 5.12 0.00 3.82 3.68 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 0.00 0.00 0.00 96 A 9.06 4.93 1.27 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 0.00 0.00 97 I 8.26 5.10 1.88 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 1.24 0.72 0.94 0.00 0.00 98 R 9.26 4.71 0.00 1.88 1.68 0.00 3.10 0.00 0.00 3.26 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.53 0.00 99 S 8.48 4.95 0.00 3.79 3.81 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 0.00 0.00 0.00 100 P 0.00 4.52 0.00 1.03 0.49 0.00 3.58 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.42 0.00 101 C 7.85 4.21 0.00 2.92 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 0.00 102 Q 8.15 4.24 0.00 1.91 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.65 0.00 0.00 0.00 0.00 0.00 2.21 2.34 0.00 *111 A 8.04 4.39 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 0.00 112 N 7.86 5.04 0.00 2.83 2.91 0.00 0.00 6.12 7.75 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 0.00 113 P 0.00 4.64 0.00 2.05 2.03 0.00 3.74 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.01 0.00 114 W 8.51 5.11 0.00 3.39 3.18 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 0.00 115 Y 8.80 5.16 0.00 2.86 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 E 9.90 4.84 0.00 2.18 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.46 0.00 117 P 0.00 4.99 0.00 2.19 2.15 0.00 3.86 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.09 0.00 118 I 8.80 4.82 2.03 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.91 1.07 0.00 0.00 119 Y 8.93 5.15 0.00 3.04 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 0.00 120 L 7.93 4.92 0.00 1.39 1.43 0.65 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 121 G 8.36 4.41 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 0.00 0.00 0.00 122 G 8.69 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 0.00 123 V 8.10 5.02 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 0.83 0.00 0.00 0.95 0.00 0.00 124 F 9.34 4.89 0.00 3.07 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 Q 8.93 4.83 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 126 L 9.27 5.07 0.00 1.40 1.43 0.47 0.95 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 0.00 127 E 9.52 5.10 0.00 1.95 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 2.23 2.41 0.00 128 P 0.00 4.54 0.00 2.04 2.17 0.00 3.72 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 129 G 9.17 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 0.00 130 D 7.93 4.62 0.00 2.59 2.51 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 0.00 131 R 9.04 4.67 0.00 1.79 1.96 0.00 3.28 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.69 0.00 132 L 9.24 5.18 0.00 1.58 1.70 0.75 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 133 S 8.93 5.03 0.00 3.89 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 0.00 134 A 8.43 4.71 -0.08 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 0.00 135 E 9.18 4.96 0.00 1.90 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 2.23 2.21 0.00 136 I 8.59 5.69 2.22 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 1.03 1.73 0.92 0.00 0.00 137 N 8.39 4.63 0.00 2.80 3.00 0.00 0.00 6.74 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 0.00 138 R 7.90 4.65 0.00 1.94 2.02 0.00 3.25 0.00 0.00 3.37 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 139 P 0.00 4.42 0.00 2.30 2.29 0.00 3.75 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.93 0.00 140 D 7.96 4.30 0.00 2.53 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 Y 7.82 4.89 0.00 3.37 3.10 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 0.00 142 L 7.69 4.18 0.00 1.77 1.32 0.94 0.80 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 0.00 143 D 8.85 4.52 0.00 2.44 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 0.00 144 F 7.31 5.01 0.00 3.18 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 0.00 145 A 8.60 4.37 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 0.00 146 E 7.73 4.86 0.00 2.41 1.84 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 2.26 2.42 0.00 147 S 8.51 4.43 0.00 3.91 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 0.00 148 G 8.96 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 0.00 0.00 0.00 149 Q 7.69 4.37 0.00 2.04 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.56 0.00 0.00 0.00 0.00 0.00 2.45 2.70 0.00 150 V 7.87 4.79 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 1.03 0.00 0.00 0.99 0.00 0.00 151 Y 8.97 5.71 0.00 3.13 3.16 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 0.00 152 F 8.94 5.01 0.00 1.51 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 0.00 0.00 0.00 0.00 153 G 8.59 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 0.00 0.00 0.00 154 I 8.57 5.26 1.92 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 1.00 0.56 0.00 0.00 155 I 8.92 5.05 1.96 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 1.15 1.63 1.01 0.00 0.00 156 A 8.63 3.65 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 L 8.11 4.16 0.00 1.59 1.53 0.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.