NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.6895 8.2233 120.4814 54.3473 42.0291 173.9780 6 N 4.7047 8.4824 120.2907 52.2246 39.9207 172.9728 7 K 4.5152 9.1016 121.1059 54.3790 36.9051 174.5894 8 L 4.7908 8.2087 125.2552 54.1225 43.7450 174.9260 9 F 5.5063 9.2858 125.5168 55.6629 42.0700 174.1350 10 L 4.3678 8.9172 126.0434 53.7683 43.5193 175.2140 11 V 4.9383 8.6685 126.6968 61.2654 34.8154 173.3208 12 Y 5.2780 9.6332 129.5345 56.4274 40.3212 174.6897 13 V 4.7016 8.6752 120.2044 59.4717 35.6000 175.0549 14 G 3.9224 8.4048 108.9913 44.5518 0.0000 172.9810 15 G 3.5039 7.2042 107.1306 45.9009 0.0000 171.4242 16 T 4.8344 7.7927 113.1259 60.3776 70.5543 172.9586 17 A 4.8675 7.7870 122.4498 49.9242 21.9606 173.8101 18 P 4.4685 0.0000 0.0000 64.0586 31.5963 177.2241 19 G 3.9606 9.1181 112.2863 45.0173 0.0000 173.2227 20 A 4.3901 7.4333 122.3488 51.7557 19.3515 177.2705 21 N 4.6165 8.7327 118.5845 54.3307 39.3517 175.2146 22 I 4.6552 7.3089 109.1825 57.9874 40.7157 174.3662 23 E 4.2436 8.7221 122.0379 56.7229 30.0673 176.0445 24 L 4.9575 9.1207 126.7000 53.8239 44.9287 174.9614 25 H 5.3788 8.7368 115.9927 54.5035 32.7223 172.4810 26 D 5.1362 9.0804 120.5716 52.7236 45.4200 173.8481 27 I 4.7626 8.3756 123.0900 59.9270 38.6311 175.3822 28 R 4.6457 8.9571 125.9061 54.2953 33.7182 174.5335 29 F 5.1160 8.7414 121.0516 56.1103 40.5804 175.5361 30 V 4.8578 8.9888 116.2865 59.5688 36.3124 174.6905 31 V 4.9016 8.6335 121.6999 61.5099 34.1537 174.8020 32 G 4.1168 8.5808 112.9345 45.3667 0.0000 172.5870 33 P 5.1434 0.0000 0.0000 64.2939 32.3922 176.7761 34 S 4.3815 6.9878 116.7865 57.8265 65.9711 176.7823 *36 E 2.6280 8.9825 116.9312 55.6847 30.6456 177.0579 37 E 3.9604 7.3590 115.5218 58.1423 29.7854 177.5035 38 T 4.2670 7.1902 108.1451 62.0579 69.9887 176.1270 39 Y 4.3431 7.4036 121.4944 61.0748 37.8185 176.4883 40 P 4.2669 0.0000 0.0000 65.7414 31.5903 178.5283 41 A 4.0949 7.9780 118.8607 54.8928 18.3304 179.6993 42 I 3.7169 7.8377 118.7093 64.6298 36.9826 178.8009 43 R 3.9702 7.8875 117.9195 59.1308 30.0179 179.0102 44 K 4.2939 8.0317 117.3162 59.3607 32.8495 179.0016 45 G 3.8790 7.8949 105.6797 45.3460 0.0000 173.8333 46 W 4.5550 7.6867 132.0426 57.1155 30.9603 176.0411 47 F 4.1526 8.3230 121.5612 58.8217 38.2773 175.7924 48 G 3.0656 4.0000 111.2153 44.2000 0.0000 172.6745 49 T 4.0724 8.2158 118.0172 63.7173 69.4111 175.7294 50 Q 4.0605 8.8145 125.1886 58.4872 29.2370 176.5340 51 K 4.0557 7.8800 119.1777 57.9028 32.3454 176.5532 52 G 3.8836 8.8751 114.1461 45.0084 0.0000 172.6173 53 L 3.8463 7.4472 122.6410 55.3043 42.9679 175.7047 54 H 5.0722 8.4521 121.0241 53.4536 32.4534 172.1686 55 L 4.4428 9.0252 123.2853 55.3265 42.8988 176.5730 56 D 5.3072 9.6585 124.9723 54.9815 43.9592 176.0819 57 S 5.4732 8.3600 110.5248 57.8301 66.6033 173.1712 58 F 5.8360 8.7486 115.0951 56.1813 41.8555 173.3788 59 V 5.1335 9.2970 118.8390 60.4189 34.8759 173.8098 60 H 4.8310 10.0442 125.6947 56.0295 29.9677 174.5964 61 L 4.5678 8.6501 127.9269 54.5228 41.5821 176.8086 62 H 4.8393 9.4572 119.0659 55.3513 30.4164 173.3451 63 H 5.2930 8.1013 116.1612 54.2515 32.7263 172.7801 64 V 4.4133 8.5634 122.7518 62.4471 34.0898 174.9043 65 D 4.6035 10.2488 127.1717 55.4389 38.4877 174.6688 66 G 3.8047 8.6332 105.9165 44.8436 0.0000 172.6381 67 Y 5.0936 8.0518 118.4076 55.9633 40.3027 175.2649 68 R 4.2576 9.6395 126.6300 56.2234 31.6404 175.0973 69 I 4.4935 8.2199 127.3180 60.7233 38.1721 174.9120 70 H 5.0265 9.4283 124.7304 53.9344 31.8258 173.5986 71 L 5.3558 8.5735 121.1799 53.2958 43.9707 175.9457 72 T 4.8075 8.7382 113.9538 59.9371 71.6783 175.5897 73 S 4.2443 9.0068 119.0472 60.4791 63.4101 174.3429 74 E 4.8047 8.0633 117.7233 54.3752 32.7278 175.5627 75 A 4.3325 7.7411 124.6096 50.0857 21.6939 174.6099 *79 P 4.1745 0.0000 0.0000 62.8136 31.9449 175.3726 80 E 4.4509 7.6309 120.5812 55.3216 31.5357 175.3948 81 E 4.1048 8.9337 126.8289 58.5871 30.0624 176.7719 82 K 4.9479 7.7599 115.3716 54.6586 35.5031 175.6523 83 R 4.6604 8.8400 120.8161 54.1266 35.2859 173.9980 84 L 4.6262 8.1201 122.6483 55.1268 43.6015 174.9853 85 Y 5.0503 9.1408 123.5927 56.1715 41.7656 174.0198 86 F 5.1482 9.7220 127.9211 56.9473 41.4293 174.3823 87 V 4.3332 8.1223 126.3357 60.9529 33.9891 173.5075 88 N 4.6454 8.4043 127.7546 51.9732 40.1467 174.1186 89 F 4.7769 8.4489 126.0695 56.7258 39.7626 176.2984 90 G 4.0178 8.7784 110.0421 44.4592 0.0000 173.3975 *101 Y 4.5070 7.5198 113.6560 58.3070 38.9059 175.0159 102 H 4.6599 8.5285 122.0510 56.4081 32.9203 173.2367 103 D 5.1548 8.2152 117.2541 53.5598 40.4821 175.5806 104 F 5.0085 7.5126 113.0586 56.7256 41.1779 172.4345 105 T 4.7879 8.4308 112.9922 60.9806 71.5402 172.0419 106 V 5.0276 8.5013 123.4000 61.2559 33.9044 174.7419 107 V 4.8578 8.9953 119.9794 59.6207 36.3529 174.3397 108 V 4.9144 8.1979 120.9490 61.3573 33.0466 174.5399 109 A 4.7904 8.8884 128.3568 51.1909 22.7913 176.1979 110 D 4.7193 8.7770 117.7642 54.6176 40.5823 177.2222 111 S 4.6838 7.5219 113.8679 55.3328 67.5564 173.0125 112 P 3.6534 0.0000 0.0000 65.7161 30.8953 179.1340 113 Q 3.9485 7.8135 116.7189 58.8675 28.7092 178.5729 114 S 4.0887 8.0188 115.1517 61.1771 63.1834 176.3449 115 A 3.8299 7.7153 124.4649 54.8755 17.8530 179.7824 116 K 3.9377 7.8345 116.7412 59.6263 31.5573 179.7070 117 Q 4.0270 7.8623 118.5481 58.9418 28.4314 178.7001 118 L 4.1005 8.0409 119.0591 57.5503 41.8261 179.0842 119 A 4.2798 7.9869 120.5717 55.1203 18.0047 179.9223 120 R 4.0748 8.0382 116.6463 59.2467 29.9410 178.8625 121 A 3.9636 7.6528 118.2797 54.3633 18.5307 178.4317 122 Q 4.1673 7.6303 113.8880 57.7090 29.3646 177.5653 123 F 4.3582 7.8476 120.3674 60.6254 39.6481 175.8663 124 S 4.0468 7.8392 109.6269 59.2050 65.9164 174.0216 *142 V 3.7311 7.6270 119.8278 62.5443 31.3259 173.4258 143 D 5.1219 8.4920 125.8459 52.5603 44.5391 174.5795 144 D 5.0509 8.3290 118.7300 52.8883 43.9282 174.4730 145 C 5.1695 8.5196 123.6058 57.6099 34.9016 172.5227 146 L 4.8418 9.5571 128.4160 53.2906 44.8041 174.5775 147 C 3.9502 8.7911 127.0366 58.9179 32.0438 174.0985 148 V 3.8981 8.1520 129.6780 61.2801 28.6225 174.3055 149 D 4.6685 8.0010 123.4839 52.6542 41.6277 176.9109 150 L 4.8569 7.6146 120.4891 52.7873 44.5481 175.3717 151 V 4.2277 8.4151 125.2457 62.2989 34.1435 174.9894 152 D 4.5089 9.7478 128.4401 55.6084 38.3401 172.8204 153 N 4.0593 8.1361 109.0882 55.0189 37.7591 172.5829 154 H 5.0174 7.8349 112.3976 53.5108 32.4924 173.0346 155 Y 4.5509 9.0920 121.3774 57.9674 39.2787 175.1020 156 V 4.5183 8.7969 124.8802 61.9010 32.2133 174.8810 157 T 4.9206 8.6485 118.6439 59.8958 71.7854 173.3050 158 L 5.3960 8.9237 122.3967 53.0096 44.8893 175.6185 159 E 4.8164 9.2425 123.6281 54.1360 32.5495 174.5583 160 F 4.6602 9.1304 130.2259 58.3106 39.6832 174.2744 161 D 4.4014 8.2965 123.3310 52.3015 40.7392 176.4912 162 G 3.6005 7.0844 107.6688 45.3448 0.0000 174.0190 163 E 3.9719 7.8487 119.7199 56.4322 29.9702 176.1039 164 Q 4.6233 8.2315 120.6311 54.3156 31.4449 175.1060 165 Q 4.4543 8.2346 120.3592 53.7425 31.8331 172.7453 166 P 4.4378 0.0000 0.0000 62.5874 32.1110 177.0732 167 L 4.4875 8.2994 124.8517 54.1694 40.3445 175.6768 168 V 4.4428 7.5233 114.0629 57.9618 36.0444 173.6844 169 P 4.4857 0.0000 0.0000 62.7503 31.7294 176.7845 170 D 4.5063 8.6551 122.9713 56.6942 41.0985 176.8482 171 W 5.0857 7.2614 126.8289 55.4261 33.8242 173.2914 172 K 4.1514 8.0423 121.8480 54.0372 36.0853 177.5803 173 G 3.6725 6.3226 108.4244 45.9267 0.0000 173.7511 174 Y 4.8747 8.4372 129.3448 56.2868 40.9881 174.1903 175 Q 4.5415 9.2736 129.6746 53.2520 31.3028 172.6544 176 P 4.4917 0.0000 0.0000 62.5392 31.9408 176.6500 177 L 3.6789 8.0138 124.1884 53.5925 42.3410 175.4341 178 P 4.3983 0.0000 0.0000 62.3794 32.2676 176.5475 179 E 4.1669 8.4179 117.8413 56.7318 29.5666 176.5742 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 D 8.22 4.69 0.00 2.61 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 6 N 8.48 4.70 0.00 2.62 2.63 0.00 0.00 6.96 6.73 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 7 K 9.10 4.52 0.00 1.15 0.78 0.00 1.57 0.00 0.00 1.06 0.00 0.00 2.74 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.02 1.17 7.81 8 L 8.21 4.79 0.00 1.75 1.68 1.09 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 9 F 9.29 5.51 0.00 3.02 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 10 L 8.92 4.37 0.00 1.67 1.56 0.95 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.67 4.94 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 0.90 0.00 0.00 0.93 0.00 0.00 12 Y 9.63 5.28 0.00 3.15 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 13 V 8.68 4.70 1.66 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 0.56 0.00 0.00 0.80 0.00 0.00 14 G 8.40 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 15 G 7.20 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 16 T 7.79 4.83 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 1.26 0.00 0.00 17 A 7.79 4.87 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 18 P 0.00 4.47 0.00 2.06 2.02 0.00 3.64 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 2.01 2.06 0.00 19 G 9.12 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 A 7.43 4.39 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 21 N 8.73 4.62 0.00 2.75 2.91 0.00 0.00 6.76 7.45 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 22 I 7.31 4.66 1.93 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.75 0.95 0.00 0.00 23 E 8.72 4.24 0.00 2.05 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.63 0.00 24 L 9.12 4.96 0.00 1.97 1.84 1.12 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 25 H 8.74 5.38 0.00 3.02 2.65 0.00 5.84 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 D 9.08 5.14 0.00 3.25 2.81 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 27 I 8.38 4.76 1.54 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.43 -0.08 0.00 0.00 28 R 8.96 4.65 0.00 1.60 1.78 0.00 3.37 0.00 0.00 3.42 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.78 0.00 29 F 8.74 5.12 0.00 2.83 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 30 V 8.99 4.86 2.13 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 0.74 0.00 0.00 1.06 0.00 0.00 31 V 8.63 4.90 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 0.53 0.00 0.00 0.93 0.00 0.00 32 G 8.58 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 33 P 0.00 5.14 0.00 2.15 2.11 0.00 3.80 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.01 0.00 34 S 6.99 4.38 0.00 3.86 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 *36 E 8.98 2.63 0.00 1.75 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 2.00 2.04 0.00 37 E 7.36 3.96 0.00 2.02 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.12 0.00 38 T 7.19 4.27 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 1.20 0.00 0.00 39 Y 7.40 4.34 0.00 2.89 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 40 P 0.00 4.27 0.00 2.16 2.12 0.00 3.74 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 2.12 2.18 0.00 41 A 7.98 4.09 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 42 I 7.84 3.72 2.02 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.93 0.83 0.00 0.00 43 R 7.89 3.97 0.00 1.94 2.16 0.00 3.14 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.79 0.00 44 K 8.03 4.29 0.00 1.95 1.96 0.00 1.61 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.67 1.48 7.81 45 G 7.89 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 0.00 0.00 0.00 46 W 7.69 4.56 0.00 3.34 3.15 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 47 F 8.32 4.15 0.00 2.96 2.91 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 48 G 4.00 3.07 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 49 T 8.22 4.07 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 1.23 0.00 0.00 50 Q 8.81 4.06 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 7.08 0.00 0.00 0.00 0.00 0.00 2.51 2.32 0.00 51 K 7.88 4.06 0.00 1.71 1.74 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.43 7.81 52 G 8.88 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 0.00 0.00 0.00 53 L 7.45 3.85 0.00 1.47 1.29 -0.63 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 54 H 8.45 5.07 0.00 2.54 2.77 0.00 5.50 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 L 9.03 4.44 0.00 1.86 1.74 0.87 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 56 D 9.66 5.31 0.00 2.87 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 57 S 8.36 5.47 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 58 F 8.75 5.84 0.00 3.28 3.30 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 59 V 9.30 5.13 2.49 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 1.04 0.00 0.00 1.16 0.00 0.00 60 H 10.04 4.83 0.00 3.29 3.58 0.00 5.76 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.65 4.57 0.00 1.67 1.66 1.14 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 62 H 9.46 4.84 0.00 3.22 3.36 0.00 5.43 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 63 H 8.10 5.29 0.00 3.13 3.24 0.00 5.84 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 V 8.56 4.41 2.18 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 1.16 0.00 0.00 1.03 0.00 0.00 65 D 10.25 4.60 0.00 3.09 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 66 G 8.63 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 0.00 0.00 0.00 67 Y 8.05 5.09 0.00 3.09 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 68 R 9.64 4.26 0.00 1.90 1.73 0.00 2.72 0.00 0.00 2.99 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.46 0.00 69 I 8.22 4.49 1.84 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 1.23 0.70 0.90 0.00 0.00 70 H 9.43 5.03 0.00 3.17 3.19 0.00 5.55 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 71 L 8.57 5.36 0.00 1.49 1.57 0.86 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 72 T 8.74 4.81 4.38 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 1.24 0.00 0.00 73 S 9.01 4.24 0.00 3.92 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 74 E 8.06 4.80 0.00 1.91 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.29 0.00 75 A 7.74 4.33 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *79 P 0.00 4.17 0.00 2.20 2.14 0.00 3.70 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 1.86 1.93 0.00 80 E 7.63 4.45 0.00 1.93 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.29 0.00 81 E 8.93 4.10 0.00 1.98 1.98 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 2.31 2.34 0.00 82 K 7.76 4.95 0.00 1.51 1.47 0.00 1.81 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.31 1.43 7.81 83 R 8.84 4.66 0.00 1.61 1.42 0.00 3.00 0.00 0.00 3.06 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.50 0.00 84 L 8.12 4.63 0.00 1.66 1.49 0.93 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 85 Y 9.14 5.05 0.00 3.05 2.76 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 0.00 0.00 0.00 86 F 9.72 5.15 0.00 3.05 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 87 V 8.12 4.33 1.72 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 0.51 0.00 0.00 0.83 0.00 0.00 88 N 8.40 4.65 0.00 2.70 2.59 0.00 0.00 6.79 7.47 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 89 F 8.45 4.78 0.00 3.19 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 90 G 8.78 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 *101 Y 7.52 4.51 0.00 2.92 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 0.00 0.00 0.00 0.00 102 H 8.53 4.66 0.00 3.01 3.27 0.00 5.91 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 D 8.22 5.15 0.00 2.97 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 0.00 104 F 7.51 5.01 0.00 2.69 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 0.00 105 T 8.43 4.79 4.34 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 1.18 0.00 0.00 106 V 8.50 5.03 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 1.09 0.00 0.00 1.41 0.00 0.00 107 V 9.00 4.86 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 0.74 0.00 0.00 1.02 0.00 0.00 108 V 8.20 4.91 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 0.12 0.00 0.00 0.93 0.00 0.00 109 A 8.89 4.79 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.78 4.72 0.00 2.81 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 S 7.52 4.68 0.00 3.99 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 0.00 112 P 0.00 3.65 0.00 2.12 2.12 0.00 3.56 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 2.15 2.35 0.00 113 Q 7.81 3.95 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.91 0.00 0.00 0.00 0.00 0.00 2.41 2.37 0.00 114 S 8.02 4.09 0.00 4.02 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 0.00 115 A 7.72 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 K 7.83 3.94 0.00 1.99 1.85 0.00 1.62 0.00 0.00 1.62 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.51 7.81 117 Q 7.86 4.03 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.52 0.00 118 L 8.04 4.10 0.00 1.76 1.77 0.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 119 A 7.99 4.28 1.44 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 0.00 120 R 8.04 4.07 0.00 2.04 2.03 0.00 3.16 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.86 0.00 121 A 7.65 3.96 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 0.00 122 Q 7.63 4.17 0.00 2.39 2.25 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 2.45 2.58 0.00 123 F 7.85 4.36 0.00 2.81 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 S 7.84 4.05 0.00 3.88 3.61 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 *142 V 7.63 3.73 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 0.83 0.00 0.00 0.93 0.00 0.00 143 D 8.49 5.12 0.00 2.57 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 0.00 144 D 8.33 5.05 0.00 2.73 2.48 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 0.00 0.00 0.00 0.00 145 C 8.52 5.17 0.00 2.90 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 0.00 146 L 9.56 4.84 0.00 1.89 1.73 0.95 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 147 C 8.79 3.95 0.00 2.87 2.68 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 0.00 148 V 8.15 3.90 1.70 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 0.25 0.00 0.00 0.22 0.00 0.00 149 D 8.00 4.67 0.00 2.86 2.74 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 0.00 150 L 7.61 4.86 0.00 1.44 1.40 0.73 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 151 V 8.42 4.23 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 1.05 0.00 0.00 0.86 0.00 0.00 152 D 9.75 4.51 0.00 2.84 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 N 8.14 4.06 0.00 2.75 2.77 0.00 0.00 7.04 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 0.00 154 H 7.83 5.02 0.00 3.28 3.15 0.00 5.86 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 0.00 155 Y 9.09 4.55 0.00 3.01 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 0.00 156 V 8.80 4.52 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 0.74 0.00 0.00 0.89 0.00 0.00 157 T 8.65 4.92 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 1.23 0.00 0.00 158 L 8.92 5.40 0.00 1.54 1.74 0.74 0.79 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 0.00 159 E 9.24 4.82 0.00 2.15 1.90 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 2.26 2.31 0.00 160 F 9.13 4.66 0.00 2.71 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 0.00 161 D 8.30 4.40 0.00 2.52 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 0.00 162 G 7.08 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 0.00 0.00 0.00 163 E 7.85 3.97 0.00 1.84 1.54 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 0.00 2.19 2.14 0.00 164 Q 8.23 4.62 0.00 2.01 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.70 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 165 Q 8.23 4.45 0.00 1.98 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.93 0.00 0.00 0.00 0.00 0.00 2.24 2.33 0.00 166 P 0.00 4.44 0.00 2.24 2.06 0.00 3.84 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.96 0.00 167 L 8.30 4.49 0.00 1.72 1.73 1.14 0.97 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 0.00 168 V 7.52 4.44 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.92 0.00 0.00 169 P 0.00 4.49 0.00 1.78 1.89 0.00 3.34 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.00 0.00 170 D 8.66 4.51 0.00 2.56 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 W 7.26 5.09 0.00 3.02 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 0.00 0.00 0.00 0.00 172 K 8.04 4.15 0.00 1.48 1.37 0.00 1.58 0.00 0.00 1.48 0.00 0.00 2.62 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.96 1.08 7.81 173 G 6.32 3.67 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 0.00 0.00 0.00 174 Y 8.44 4.87 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 0.00 175 Q 9.27 4.54 0.00 2.14 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.76 0.00 0.00 0.00 0.00 0.00 2.03 2.17 0.00 176 P 0.00 4.49 0.00 1.91 1.91 0.00 3.73 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 2.11 2.24 0.00 177 L 8.01 3.68 0.00 1.30 1.15 0.60 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 178 P 0.00 4.40 0.00 1.99 1.95 0.00 3.21 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.04 0.00 179 E 8.42 4.17 0.00 1.92 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.25 0.00 * Residues marked with a * may have inaccurate shift predictions.