NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.5606 8.2993 120.0962 56.0457 34.6221 175.4766 3 T 4.8518 8.0215 108.9460 58.8709 71.9568 172.3426 4 F 4.7535 10.1372 128.4789 56.7705 41.9946 175.2013 5 I 4.8175 8.0049 127.1839 59.7287 39.4677 174.5784 6 I 4.9735 9.1121 128.2974 59.4321 40.2986 174.6586 7 G 3.9024 9.3862 114.2046 44.3396 0.0000 172.4593 8 I 5.1144 8.6198 124.5860 59.7932 40.5306 174.2915 9 S 5.6274 9.6332 122.0625 55.0757 66.1481 172.4430 10 G 3.7455 8.4770 107.9249 42.5840 0.0000 172.6803 11 V 3.9009 7.4889 120.5089 61.1671 31.7238 175.3401 12 T 3.9614 8.1858 114.7942 63.4131 67.5001 173.2685 13 N 4.3838 8.9029 124.2168 54.3786 35.8619 175.6046 14 S 4.2264 7.6300 114.1752 59.8010 63.6821 174.3838 15 G 4.0352 8.4534 110.5223 45.6938 0.0000 175.9123 16 K 3.9270 8.5223 121.6701 59.5462 32.0609 179.1091 17 T 3.8780 7.8766 115.3656 66.9918 68.4464 176.5406 18 T 3.8265 7.8556 117.0189 66.5879 68.6015 176.2760 19 L 3.9373 8.0025 121.9239 57.9739 42.1375 178.6901 20 A 4.0233 8.1181 120.7626 55.2464 18.3312 179.7765 21 K 3.9037 8.1511 116.8530 59.5431 31.9762 179.2208 22 N 3.9992 7.9432 116.5842 56.2642 38.4825 177.3571 23 L 4.3154 7.8329 119.8884 57.9291 41.5578 179.0235 24 Q 4.0133 7.8968 118.1173 59.5220 28.9665 178.6534 25 K 4.0138 7.8337 117.5214 59.5118 32.1987 178.1487 26 H 4.7604 7.6077 112.6888 54.5587 29.2824 174.6219 27 L 4.9072 7.5233 121.9193 52.2309 43.4334 174.5744 28 P 4.4839 0.0000 0.0000 63.3172 33.0773 175.2965 29 N 4.1718 8.7137 117.0670 55.3403 37.2277 173.0254 30 C 5.5232 7.9310 116.0781 57.9525 34.7226 173.7616 31 S 5.0290 9.5920 121.6008 56.8322 66.4921 173.0835 32 V 4.8722 8.1583 119.7634 61.4925 34.3813 174.1628 33 I 4.6272 8.9536 128.6777 59.6723 40.2026 174.4715 34 S 5.2268 8.6363 122.8813 56.7769 64.4116 175.3242 35 Q 4.1827 9.4875 126.5742 58.8999 29.0611 177.7838 36 D 4.8320 8.1824 116.2126 56.7858 41.0825 176.6626 37 D 4.5493 7.9906 117.0795 55.3699 41.1441 176.7132 38 F 4.7613 7.9485 118.2575 57.0310 39.4527 174.7892 39 F 4.8710 8.3037 119.7348 57.0741 39.2961 175.8745 40 K 4.4151 9.0988 123.6214 55.6395 32.8238 175.2675 41 P 4.4264 0.0000 0.0000 62.7656 31.8205 176.7195 42 E 3.8243 9.2680 122.5876 59.6757 29.4933 178.7401 43 S 4.4242 8.0596 110.2727 59.3323 63.5005 174.0977 44 E 4.4967 8.5700 120.1921 56.5448 30.4580 176.1773 45 I 4.0572 7.1969 119.6890 60.9349 37.8054 175.2486 46 E 4.9076 8.6300 123.9273 54.8172 32.9177 174.6732 47 T 5.0010 8.2882 111.8705 59.9430 71.2833 174.0248 48 D 4.7401 9.0468 125.1297 52.0702 41.0512 177.2528 49 K 3.8693 8.7483 118.2970 60.1132 31.8038 177.8555 50 N 4.4840 8.2315 112.5940 52.8210 38.5273 175.3358 51 G 3.7709 8.2947 105.1600 47.1071 0.0000 175.0238 52 F 5.3438 8.3690 117.3016 55.0799 41.3440 175.8552 53 L 4.5711 8.8984 126.5023 55.1974 41.9827 178.4395 54 Q 4.4332 9.4921 125.1788 55.4859 26.8962 174.8497 55 Y 4.5961 8.3966 118.3196 59.2736 39.3041 175.9262 56 D 5.4673 8.4262 118.7454 54.7198 41.6985 176.4997 57 V 4.5929 7.6726 110.3560 59.2600 35.8156 176.9470 58 L 3.8714 8.5767 122.3136 57.8411 41.6527 179.5662 59 E 3.9661 8.1823 116.5435 58.7285 29.6663 177.2550 60 A 4.5091 8.3569 121.0580 51.9507 18.8637 176.4554 61 L 5.1801 7.4200 116.2259 53.2661 45.5413 176.0476 62 N 4.7185 9.0131 119.4879 52.2694 39.8040 176.2616 *64 E 4.3033 8.4880 118.1126 56.2134 32.2217 176.9399 65 K 4.2606 7.4839 121.3950 55.5797 30.6758 177.0503 *68 S 4.3164 7.8646 116.2407 58.1375 64.7041 175.4951 69 A 4.1347 7.7732 121.3220 55.1107 17.7381 179.6804 70 I 3.8664 7.5818 117.4153 64.4196 37.4093 178.2067 71 S 4.3225 7.8932 114.8073 61.7180 63.0685 175.9606 72 C 4.5614 8.2547 120.7781 61.9703 27.6478 176.3067 73 W 3.8784 7.8596 125.3840 58.7377 29.5900 176.7406 *75 E 4.1250 8.1435 120.3474 55.6989 30.6455 177.0371 76 S 4.2611 7.9081 110.4123 58.6662 63.7641 174.6712 77 A 3.8490 7.1865 124.7054 54.3775 18.7199 179.6716 78 R 4.2859 7.0031 110.9832 57.3316 29.2875 176.4625 79 H 4.8318 7.8321 114.9865 55.4274 30.1012 173.0784 *92 I 3.9954 7.8284 118.6531 60.1448 38.9600 173.2589 93 P 4.8336 0.0000 0.0000 62.8973 32.6803 175.1973 94 I 5.3851 9.5755 124.8068 59.4730 40.9097 174.1983 95 L 4.5985 8.7537 128.1066 53.1814 44.5992 174.8909 96 I 4.7859 8.6578 128.2152 60.0754 39.3272 174.8650 97 I 4.9349 9.1587 128.9876 59.7166 39.2036 174.2619 98 E 5.1480 8.8496 126.4175 54.3193 32.2995 175.5322 99 G 4.5066 8.0710 108.2700 46.0763 0.0000 174.0941 100 F 4.9296 9.5706 116.3538 57.4598 38.5113 176.0979 101 L 3.4314 7.4006 122.8585 52.9641 42.3220 174.1594 102 L 4.6470 8.7026 122.0085 55.6410 44.2143 178.3645 103 F 5.5546 8.2422 114.0138 58.0554 38.7436 175.3678 104 N 5.0120 8.6082 116.1861 52.5788 38.0753 173.6675 105 Y 4.5413 7.9626 121.9048 56.0806 38.8978 175.7811 106 K 4.1034 8.4891 129.1384 58.5643 31.9958 177.0114 107 P 4.0899 0.0000 0.0000 65.1948 31.3665 177.6668 108 L 3.8433 7.7527 117.0173 55.9973 41.6375 178.2816 109 D 3.7031 7.7022 119.6965 57.1565 40.4947 178.4763 110 T 4.2102 7.1802 106.0774 61.6733 69.0290 175.1288 111 I 4.1370 6.9834 123.9753 62.2622 39.5681 176.6813 112 W 4.6259 7.2328 118.5437 57.6736 29.2804 175.1121 113 N 4.7018 8.7798 118.7148 54.0734 40.6088 175.4962 114 R 4.4785 7.5364 118.0451 55.0627 33.8447 173.9172 115 S 4.9885 8.3292 121.5126 56.8447 66.4532 172.5524 116 Y 5.1194 9.1791 120.7811 56.2004 42.4147 174.4691 117 F 5.1709 9.2683 124.6681 56.3389 42.3483 173.6623 118 L 4.7144 8.5117 127.6290 54.8899 42.3839 176.8226 119 T 4.8725 9.0946 120.6756 61.8235 71.1644 173.1445 120 I 4.9541 8.3756 125.6513 58.3159 41.3859 173.2596 121 P 4.6068 0.0000 0.0000 62.6682 32.3396 176.5997 122 Y 3.1483 8.8830 121.4110 61.0181 38.3756 178.7427 123 E 3.7479 8.1812 118.6676 59.1180 29.4909 178.9308 124 E 3.8460 7.9313 118.9947 59.2329 29.8172 178.1117 125 C 4.0549 8.0239 118.7483 62.3180 31.4328 175.4045 126 K 2.4800 7.1334 119.9236 59.0117 31.8536 178.3157 127 R 3.7753 7.3431 118.9775 59.2911 29.9930 178.2936 128 R 3.8335 8.2793 117.9684 59.5440 30.2705 178.7990 129 R 4.1199 8.1570 118.7001 59.6368 29.8160 178.3059 130 S 4.3364 7.6890 111.8646 60.2451 63.1683 175.3189 131 T 4.2739 7.6514 112.3771 61.0636 69.2859 174.0995 132 R 4.2349 7.3397 122.7639 54.3733 31.7009 175.0354 133 V 3.9637 8.0529 125.3582 61.8805 31.5592 175.0199 134 Y 4.2106 8.3501 125.3962 56.8360 39.3740 174.9574 135 Q 4.2262 8.0840 121.0648 53.7361 30.7881 172.5686 136 P 4.3753 0.0000 0.0000 61.8462 32.0124 174.6096 137 P 4.4709 0.0000 0.0000 62.1261 31.9053 176.2168 138 D 3.9903 8.4507 121.0885 54.2759 40.5841 177.1282 139 S 4.4157 8.0493 119.3615 56.9698 64.1898 171.0994 140 P 4.6194 0.0000 0.0000 63.6238 31.4217 176.8155 141 G 4.0861 9.1662 110.9200 47.0120 0.0000 174.6879 142 Y 3.6454 7.9407 122.7339 59.9930 38.5819 177.6330 143 F 4.0043 8.2716 121.2111 61.5701 39.3839 176.7684 144 D 4.4473 8.2068 116.6432 57.0606 40.8986 178.4453 145 G 3.6297 7.9215 105.0577 46.6109 0.0000 173.3271 146 H 4.4125 7.5908 118.2370 57.5845 32.1323 174.3575 147 V 3.6871 7.2551 117.0559 65.8420 31.7028 176.9877 148 W 4.0411 8.4686 129.5053 60.1139 30.7801 176.7404 149 P 4.2052 0.0000 0.0000 63.7860 31.3754 177.2985 *151 Y 4.6394 8.0382 120.4342 57.7094 40.3869 177.0700 152 L 3.5101 7.3920 119.4538 57.5860 41.3220 179.5644 153 K 3.9317 7.6983 118.6810 59.2422 32.2187 178.0202 154 Y 4.3178 7.6304 119.6453 60.5341 38.6617 177.2901 155 R 3.3836 7.7295 118.3809 59.2366 30.1349 178.5205 156 Q 3.9618 7.6261 118.3201 58.5740 29.7136 177.6940 157 E 4.1706 7.4674 120.3415 56.1701 28.4424 177.6702 *159 Q 4.1499 7.8957 116.8654 55.5788 31.1699 176.6181 160 D 4.4645 8.0453 116.6415 56.2295 41.6239 176.8484 161 I 2.9980 6.7119 117.7519 60.7046 37.3564 175.1513 162 T 4.2470 8.2518 114.1287 61.5715 70.1289 174.4910 163 W 4.5925 7.6205 118.7147 55.0186 30.2732 174.3154 164 E 4.2326 8.7910 119.3673 54.9352 29.3795 174.8896 165 V 4.0266 7.8272 126.5315 61.0100 33.3973 174.9756 166 V 4.0806 8.1278 128.6651 61.9352 32.4230 174.3460 167 Y 4.9163 8.7507 126.5546 57.7753 38.6999 175.1639 168 L 4.9091 9.2882 123.7584 53.0346 45.8725 175.3856 169 D 4.9641 8.6471 121.4289 52.8120 41.7471 177.0010 170 G 3.8825 9.1013 115.2808 46.8556 0.0000 173.0736 171 T 4.2070 7.9284 109.6857 62.4576 69.5063 175.2280 172 K 4.2499 7.6312 121.8367 55.5871 33.0467 176.8932 173 S 4.2591 8.3841 113.5983 58.8011 63.6253 174.4061 174 E 4.0268 8.7116 126.9766 58.9696 29.4740 178.6969 175 E 4.3111 8.0459 117.7467 58.8418 30.0474 178.5765 176 D 4.4010 7.9851 119.6233 57.2201 40.9405 178.4993 177 L 4.0241 7.9849 119.4905 57.5395 41.6496 179.0993 178 F 4.2334 7.8943 119.4732 61.6117 39.3445 177.2733 179 L 3.7590 8.3033 118.7989 57.5389 40.8014 179.3746 180 Q 4.0658 8.1560 119.6722 59.1254 28.9741 178.5407 181 V 3.4009 7.6878 119.2920 65.9513 31.3049 177.0636 182 Y 4.2400 8.1164 119.7246 60.9767 38.3313 178.1517 183 E 3.7819 8.0585 119.0488 59.5081 29.1763 178.5844 184 D 4.3677 7.7367 117.0065 57.7856 41.3352 178.6496 185 L 3.8275 8.4790 119.4741 57.3780 41.5718 179.0414 186 I 3.9189 7.2174 119.0661 62.8672 37.0558 177.0392 187 Q 4.2775 7.8051 117.4907 56.0046 28.3470 176.0233 188 E 4.6063 7.6618 120.5610 57.1258 32.1198 178.0887 189 L 3.5476 7.4769 116.6605 56.5342 42.4163 178.1947 190 A 4.0961 8.0902 122.3872 55.1600 18.3255 178.9735 191 K 4.3318 7.4074 113.1451 57.0686 32.1291 177.2759 192 Q 4.2759 7.7949 124.0511 56.1149 28.9776 175.6269 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 2 K 8.30 4.56 0.00 1.67 1.95 0.00 1.64 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.46 7.81 3 T 8.02 4.85 4.70 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 1.16 0.00 0.00 4 F 10.14 4.75 0.00 3.18 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 5 I 8.00 4.82 1.98 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.79 0.90 0.00 0.00 6 I 9.11 4.97 2.04 0.00 0.00 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 1.51 0.89 1.20 0.00 0.00 7 G 9.39 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 0.00 0.00 0.00 8 I 8.62 5.11 1.90 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 1.27 1.14 0.93 0.00 0.00 9 S 9.63 5.63 0.00 2.98 3.59 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 10 G 8.48 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 0.00 0.00 0.00 11 V 7.49 3.90 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 0.64 0.00 0.00 0.69 0.00 0.00 12 T 8.19 3.96 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 1.35 0.00 0.00 13 N 8.90 4.38 0.00 2.94 2.93 0.00 0.00 7.07 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 S 7.63 4.23 0.00 4.00 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 15 G 8.45 4.04 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 0.00 0.00 0.00 16 K 8.52 3.93 0.00 1.82 1.96 0.00 1.85 0.00 0.00 1.83 0.00 0.00 3.15 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.49 1.50 7.81 17 T 7.88 3.88 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 18 T 7.86 3.83 4.37 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 1.20 0.00 0.00 19 L 8.00 3.94 0.00 1.87 1.81 0.99 1.25 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 20 A 8.12 4.02 1.41 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 21 K 8.15 3.90 0.00 1.87 1.82 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.68 1.60 7.81 22 N 7.94 4.00 0.00 2.73 1.91 0.00 0.00 7.06 6.75 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 23 L 7.83 4.32 0.00 1.96 1.88 1.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 24 Q 7.90 4.01 0.00 2.10 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.91 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 25 K 7.83 4.01 0.00 1.66 1.64 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.87 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.39 1.69 7.81 26 H 7.61 4.76 0.00 2.99 3.31 0.00 5.82 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 7.52 4.91 0.00 1.84 1.71 1.09 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 4.48 0.00 2.23 2.10 0.00 4.03 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 2.04 2.00 0.00 29 N 8.71 4.17 0.00 2.99 3.05 0.00 0.00 6.50 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 30 C 7.93 5.52 0.00 3.22 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 31 S 9.59 5.03 0.00 3.84 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 32 V 8.16 4.87 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 0.84 0.00 0.00 1.02 0.00 0.00 33 I 8.95 4.63 1.87 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.46 1.05 0.00 0.00 34 S 8.64 5.23 0.00 4.05 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 Q 9.49 4.18 0.00 2.10 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.22 0.00 36 D 8.18 4.83 0.00 2.86 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 D 7.99 4.55 0.00 2.42 2.33 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 38 F 7.95 4.76 0.00 3.13 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 F 8.30 4.87 0.00 3.04 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 40 K 9.10 4.42 0.00 1.70 1.80 0.00 1.82 0.00 0.00 1.98 0.00 0.00 2.98 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.69 1.59 7.81 41 P 0.00 4.43 0.00 2.15 2.22 0.00 3.84 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.03 0.00 42 E 9.27 3.82 0.00 2.09 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 0.00 2.47 2.51 0.00 43 S 8.06 4.42 0.00 4.03 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 44 E 8.57 4.50 0.00 2.11 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 0.00 2.27 2.27 0.00 45 I 7.20 4.06 1.68 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 1.25 -0.07 0.35 0.00 0.00 46 E 8.63 4.91 0.00 1.90 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.26 0.00 47 T 8.29 5.00 4.29 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 1.25 0.00 0.00 48 D 9.05 4.74 0.00 3.01 3.12 0.00 0.00 0.00 0.00 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7.86 4.32 0.00 3.89 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 69 A 7.77 4.13 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 0.00 0.00 0.00 0.00 0.00 70 I 7.58 3.87 1.81 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 1.54 0.45 0.85 0.00 0.00 71 S 7.89 4.32 0.00 4.02 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 C 8.25 4.56 0.00 3.22 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 73 W 7.86 3.88 0.00 3.46 3.42 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 0.00 *75 E 8.14 4.12 0.00 2.01 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 2.28 2.25 0.00 76 S 7.91 4.26 0.00 3.99 4.04 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 77 A 7.19 3.85 0.43 0.00 0.00 0.00 0.00 0.00 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0.00 139 S 8.05 4.42 0.00 4.10 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 P 0.00 4.62 0.00 2.16 2.11 0.00 3.86 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 141 G 9.17 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 0.00 142 Y 7.94 3.65 0.00 3.31 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 0.00 143 F 8.27 4.00 0.00 3.16 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 0.00 144 D 8.21 4.45 0.00 2.79 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 0.00 145 G 7.92 3.63 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 0.00 0.00 0.00 146 H 7.59 4.41 0.00 2.14 2.14 0.00 5.97 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 0.00 147 V 7.26 3.69 1.89 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 0.90 0.00 0.00 0.75 0.00 0.00 148 W 8.47 4.04 0.00 2.87 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 0.00 149 P 0.00 4.21 0.00 2.14 2.05 0.00 3.58 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 2.17 2.13 0.00 *151 Y 8.04 4.64 0.00 2.84 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 L 7.39 3.51 0.00 1.70 1.53 1.04 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 153 K 7.70 3.93 0.00 1.79 1.80 0.00 1.79 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.42 7.81 154 Y 7.63 4.32 0.00 2.95 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 0.00 155 R 7.73 3.38 0.00 1.47 1.63 0.00 3.01 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.34 0.00 156 Q 7.63 3.96 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.64 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 157 E 7.47 4.17 0.00 2.09 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 2.34 2.56 0.00 *159 Q 7.90 4.15 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 7.01 0.00 0.00 0.00 0.00 0.00 2.12 2.23 0.00 160 D 8.05 4.46 0.00 2.60 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 0.00 161 I 6.71 3.00 1.28 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.01 -0.71 0.00 0.00 162 T 8.25 4.25 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 0.00 163 W 7.62 4.59 0.00 3.35 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 0.00 164 E 8.79 4.23 0.00 1.94 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 2.14 2.24 0.00 165 V 7.83 4.03 1.47 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 -0.01 0.00 0.00 0.02 0.00 0.00 166 V 8.13 4.08 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 1.20 0.00 0.00 0.82 0.00 0.00 167 Y 8.75 4.92 0.00 2.98 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 0.00 168 L 9.29 4.91 0.00 1.65 1.61 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 169 D 8.65 4.96 0.00 2.80 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 0.00 170 G 9.10 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 0.00 171 T 7.93 4.21 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 0.00 172 K 7.63 4.25 0.00 2.04 1.85 0.00 1.76 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.42 7.81 173 S 8.38 4.26 0.00 3.90 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 0.00 174 E 8.71 4.03 0.00 2.07 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 2.34 2.35 0.00 175 E 8.05 4.31 0.00 2.29 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 2.30 2.38 0.00 176 D 7.99 4.40 0.00 3.05 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 L 7.98 4.02 0.00 1.77 1.74 0.99 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 178 F 7.89 4.23 0.00 3.04 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 0.00 179 L 8.30 3.76 0.00 1.74 1.66 0.99 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 180 Q 8.16 4.07 0.00 2.23 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 181 V 7.69 3.40 1.91 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 0.36 0.00 0.00 0.58 0.00 0.00 182 Y 8.12 4.24 0.00 2.28 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 0.00 183 E 8.06 3.78 0.00 2.03 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 2.27 2.60 0.00 184 D 7.74 4.37 0.00 2.94 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 L 8.48 3.83 0.00 2.03 1.68 1.28 0.75 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 0.00 186 I 7.22 3.92 1.74 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.38 0.76 0.00 0.00 187 Q 7.81 4.28 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.46 0.00 188 E 7.66 4.61 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.56 0.00 189 L 7.48 3.55 0.00 1.53 1.57 0.79 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 190 A 8.09 4.10 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 0.00 191 K 7.41 4.33 0.00 1.65 1.86 0.00 1.67 0.00 0.00 1.72 0.00 0.00 3.15 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.41 7.81 192 Q 7.79 4.28 0.00 2.17 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.55 0.00 0.00 0.00 0.00 0.00 2.41 2.31 0.00 * Residues marked with a * may have inaccurate shift predictions.