NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 T 4.6214 7.9800 110.3560 61.8375 70.1034 173.4670 9 F 4.2470 8.0499 128.7220 60.8944 40.6969 175.0007 10 S 4.1364 9.1044 115.6220 61.8774 62.6611 175.9910 11 D 4.3469 8.0245 120.7047 57.4987 40.6159 178.7092 12 Q 4.0713 7.6175 117.3246 58.8343 28.7261 178.3264 13 T 3.2873 6.7774 109.6392 64.5693 68.4511 175.4367 14 E 3.9922 7.5156 120.5645 59.2736 29.9558 178.2991 15 E 4.1691 7.7903 118.9402 59.0764 29.6394 179.1493 16 I 3.5575 7.4237 117.3877 61.8476 36.8265 177.8402 *18 Q 4.3387 8.1095 121.0738 56.0112 30.9533 177.4477 19 A 4.0736 8.1928 119.8473 55.5166 18.3374 179.8219 20 T 3.7301 8.3860 108.6224 64.7427 68.8373 175.8148 21 Y 4.2606 8.1151 121.7917 61.3836 38.4663 178.5422 22 R 3.6792 8.3957 118.0761 58.8586 30.4847 178.9099 23 A 4.1191 7.6844 120.2895 55.0830 18.6423 179.5016 24 L 3.9503 8.2805 118.8359 57.6180 41.9081 178.2341 25 R 4.2209 7.4299 116.5739 57.3974 29.9798 176.5673 26 E 4.6869 7.8249 115.7354 57.1464 31.5213 175.2725 27 H 4.7393 8.2729 114.6025 54.8639 34.8693 174.0836 28 G 4.1782 7.9713 107.2349 44.8895 0.0000 173.7396 29 Y 3.8300 8.1040 120.5892 60.4974 38.2026 177.3517 30 A 3.9802 7.6043 120.7237 54.9397 18.7704 176.5692 31 D 4.7942 7.9794 114.2798 53.6578 41.6501 176.7046 32 L 4.1768 7.6908 121.4842 54.6849 42.8754 176.2929 33 T 4.6941 7.8431 114.7041 59.0524 73.3449 175.0268 34 I 3.6113 8.1287 121.9162 64.3681 37.1274 178.0625 35 Q 3.9563 8.1358 120.0417 59.7747 28.7528 179.3347 36 R 4.1842 7.7584 117.9997 58.8818 29.9958 179.2427 37 I 3.7086 7.4085 119.9906 64.1233 37.1069 178.0660 38 A 4.1883 8.7229 122.1252 55.2852 17.9620 179.2598 39 D 4.3222 8.3869 116.6954 57.8704 41.0446 178.8483 40 E 4.1610 7.9896 117.3901 59.2571 29.5262 178.3612 41 Y 4.4903 7.9273 119.2148 58.5619 38.9281 176.4477 42 G 3.8320 8.6279 106.8277 44.8856 0.0000 172.1966 43 K 4.5686 7.0673 117.4872 53.7025 35.9627 175.5772 44 S 4.4395 8.2348 114.0388 58.2099 63.7409 175.3690 45 T 3.9137 8.4275 111.2019 64.5328 68.3342 176.3815 46 A 4.0421 7.7676 122.8358 55.1094 18.1780 179.4086 47 A 4.0704 7.7106 118.5335 55.0852 18.7030 179.8279 48 V 3.8473 7.8608 116.6247 66.5628 31.6239 177.8161 49 H 5.4175 8.2060 115.6241 58.1031 28.5194 176.6395 50 Y 3.9908 7.7589 121.2195 60.3555 38.5834 176.8312 51 Y 4.3577 7.7897 115.2894 57.5820 39.2558 175.4515 52 Y 4.9172 7.6367 117.3023 56.0329 41.5263 175.9876 53 D 4.4027 9.1373 125.2547 57.1192 41.4814 177.4256 54 T 4.7475 7.6791 107.6653 59.0530 72.9749 174.7044 55 K 3.9603 8.6655 123.6649 59.8546 32.4363 178.3649 56 D 4.3846 8.0641 118.6725 57.5135 40.9307 178.0881 57 D 4.4591 7.8620 119.3988 57.3637 40.7938 178.5648 58 L 2.8709 7.9522 120.5688 58.1162 41.9697 179.0198 59 L 3.9666 8.1877 118.7046 57.6689 41.5005 179.6300 60 A 3.7401 8.2769 120.5266 55.0069 18.3144 179.2402 61 A 3.9300 7.8327 119.3658 55.3981 18.3522 179.4893 62 F 3.9575 8.3082 119.1207 61.3854 39.4072 176.8084 63 L 3.6971 8.0600 120.1061 58.3687 41.7398 178.6873 64 D 4.2008 7.8315 118.4934 57.4914 40.5313 177.9855 65 Y 4.0162 7.8777 118.9330 61.5707 39.0316 177.5655 66 L 3.9060 8.4318 120.4049 56.3287 41.4646 180.1884 67 L 3.5027 8.1449 116.4030 56.9544 42.0323 179.2519 68 E 3.7774 8.9910 118.4639 60.1557 29.4968 180.0235 69 R 3.7968 7.4948 117.0037 59.2499 30.3814 178.6917 70 F 3.8485 8.2051 120.2760 61.4961 39.5954 177.6697 71 V 3.9465 7.7916 110.7202 63.8199 31.2107 178.0803 72 D 4.4391 8.0042 118.7232 56.8723 40.5261 178.1685 73 S 5.1886 8.2571 116.6033 60.3405 63.4696 176.3734 74 I 3.7087 7.6623 121.7583 64.1908 37.6107 177.4309 75 H 4.4645 7.9647 115.8928 58.2829 28.6190 176.3259 76 D 4.7961 7.6429 119.8033 52.3823 39.3036 175.3190 77 V 4.3768 7.2831 120.5612 61.8191 32.5910 174.7646 78 E 4.4139 8.6590 127.2640 57.5708 31.2339 176.1899 79 T 4.0265 7.7855 111.5353 62.5282 67.8503 173.3090 80 T 4.1678 8.1665 114.7227 62.3902 70.1575 174.3948 81 D 4.3113 7.9510 122.2654 54.1326 41.8153 174.9445 82 P 4.3616 0.0000 0.0000 65.7976 31.4697 178.0387 83 E 4.1735 8.1029 118.3958 59.1447 29.6725 178.4725 84 A 4.0357 8.1372 120.3525 55.1500 18.5377 179.3423 85 R 3.8353 8.5175 117.6988 59.4035 30.1518 178.5614 86 L 3.9721 8.3146 120.2790 58.3407 42.1673 178.6783 87 N 4.3841 8.2737 116.4286 56.2558 38.3716 177.4544 88 L 3.9967 8.2118 120.4970 57.7912 41.6747 179.4674 89 L 4.0118 7.8625 118.7861 57.7703 41.5586 179.5420 90 L 3.9909 8.0361 118.7789 58.0187 41.6279 179.2051 91 D 4.3738 8.4674 119.1100 57.5112 40.5420 178.6480 92 E 3.9501 8.2494 118.9462 59.2836 29.7383 178.5569 93 L 4.3953 8.0397 117.9776 56.7286 41.8401 177.8401 94 L 4.7079 7.8653 115.5673 54.1413 44.6185 178.4332 95 V 3.9251 8.4004 117.9942 65.0550 31.7953 177.5002 96 K 3.7939 8.0184 118.9029 59.3067 31.7347 176.2745 97 P 4.3584 0.0000 0.0000 64.2425 31.3316 177.6730 98 Q 4.1901 8.0087 117.3212 57.9856 28.7280 177.9485 99 E 4.3198 8.4256 120.0432 58.0960 30.0362 177.0879 100 N 4.7735 7.9058 123.0538 51.6184 38.4848 171.9039 101 P 4.8570 0.0000 0.0000 63.0471 32.0020 176.7271 102 D 4.5889 8.0135 120.1323 57.0154 40.9743 178.5332 103 L 4.2283 7.8276 119.6973 58.5159 40.6359 179.2540 104 S 4.3645 8.1207 114.6056 60.8448 63.1436 176.4404 105 V 3.6474 7.8640 120.7109 65.6947 31.5756 177.4084 106 A 4.2905 7.9428 120.9235 55.2395 18.1625 179.6592 107 L 4.2270 7.9440 117.0761 58.8102 40.8471 178.7884 108 L 4.1307 8.0317 121.2586 57.7738 40.3671 177.6029 109 E 4.5428 8.1032 117.6565 57.0144 29.1470 178.7538 *111 R 4.0834 8.0749 120.6281 56.1099 31.9383 177.8746 112 S 4.2321 7.7989 110.4179 59.8880 63.5211 174.4681 113 Q 4.4069 7.5043 120.4315 55.6713 29.3686 176.4535 114 A 4.1905 7.7673 119.3355 56.1027 18.0896 177.9110 115 P 4.1028 0.0000 0.0000 65.2570 31.3741 177.3863 116 Y 4.7405 7.6504 112.8878 56.7608 39.1241 175.6667 117 K 4.4740 7.5008 118.3556 53.6672 33.7705 176.4061 118 E 3.9672 8.8967 124.0691 59.3165 29.4297 178.4329 119 A 4.0804 8.2523 121.0801 55.5194 18.3828 179.4590 120 F 4.0918 8.5959 114.9387 60.6205 39.2791 177.3874 121 S 4.2699 8.5029 113.0720 61.8782 62.0777 175.9245 122 D 4.4316 8.4125 121.4074 57.6605 40.6166 179.3634 123 R 3.8050 7.8231 117.7048 59.2859 30.0319 179.0566 124 F 4.2541 7.9139 117.5784 60.5456 38.9028 177.7512 125 R 3.9268 8.0654 117.8929 59.6772 29.9396 178.6223 126 Q 4.0031 8.0882 117.8492 58.8948 28.6739 178.1539 127 N 4.3087 8.5928 118.5338 56.8562 38.9666 176.2932 128 D 4.3376 8.5829 119.6860 57.4600 41.2569 177.9857 129 E 4.0577 8.2524 119.0906 59.5904 29.2277 178.8622 130 Y 4.2076 7.7281 118.1338 60.7117 39.0194 177.6818 131 V 3.6282 7.7864 117.8553 66.0785 31.8773 177.5819 132 R 4.1079 8.5429 118.1185 59.5481 29.8161 178.4316 133 Y 3.9453 7.9081 114.7754 58.8629 38.4604 177.1041 *135 L 4.1575 7.7747 121.6806 54.8033 43.9989 178.7660 136 K 3.9962 8.5357 120.5424 58.6505 31.9906 178.4350 137 A 3.7878 8.0188 121.8637 55.1282 18.1734 179.9658 138 V 3.7108 7.5165 116.9079 64.6707 31.8918 178.3585 139 I 3.7778 7.7179 120.5259 64.3615 36.9179 177.8526 140 N 4.3274 8.3174 117.1646 56.7496 38.4489 176.6630 141 H 4.1727 8.3733 119.5118 59.5663 29.8429 177.4878 142 G 3.3653 8.3003 107.1155 47.3383 0.0000 175.8729 143 I 4.2163 7.8892 123.5750 64.0450 36.9039 178.1799 144 D 4.3500 8.1218 118.9126 57.3089 40.7733 178.1840 145 E 4.0965 8.3728 117.1873 56.8935 29.6210 178.0331 146 G 3.9181 7.7396 107.2779 45.5088 0.0000 174.8543 147 V 3.7709 7.2730 112.3930 62.3082 32.2081 176.1595 148 F 5.4080 7.6922 118.6646 55.4047 41.2052 175.3620 149 T 4.0563 8.8301 121.5838 63.6856 68.7231 175.0700 150 D 4.5254 8.4388 124.2848 54.2077 39.2267 175.5947 151 V 4.2032 7.5964 123.8008 60.4411 33.9830 176.3068 152 D 4.5394 8.2839 121.6758 53.6027 40.0977 175.9502 153 A 4.0256 8.4303 129.0781 54.8946 18.6176 178.7180 154 E 3.9898 8.2261 115.5392 59.3957 29.8600 178.6801 155 H 4.0939 8.5250 119.4219 59.0508 29.8813 177.3722 156 V 3.6787 7.9447 119.9077 66.4038 30.8973 177.6910 157 T 3.8571 7.8640 115.5724 67.0779 68.2848 176.2819 158 R 3.8869 7.9040 119.9411 59.3610 30.0969 178.6074 159 S 3.8657 8.1055 115.1624 61.4886 62.7904 176.6040 160 L 3.9001 8.0754 121.7967 57.9413 41.4359 179.7243 161 L 4.0633 8.0480 118.6031 57.7233 41.5283 179.5993 162 T 3.9641 7.9601 116.2394 66.1897 68.2778 177.0623 163 I 3.6706 7.5915 121.9746 64.2615 37.1314 178.5277 164 I 3.7115 7.6396 120.5937 64.6258 36.9627 178.3616 165 D 4.4717 8.2635 119.8381 56.8626 40.5257 178.9399 166 G 3.6174 8.0022 106.1570 47.7968 0.0000 175.3046 167 A 4.0035 8.2242 124.1841 54.8902 17.9915 179.7410 168 R 3.8953 8.0274 116.3071 59.9981 29.9601 179.5112 169 T 3.9133 7.8356 114.0545 66.6633 68.4850 176.7963 170 R 4.0800 8.0628 119.0457 58.8878 30.4210 178.3676 171 A 4.6492 8.4890 122.3514 54.5701 18.3579 179.8305 172 V 3.7392 7.4002 109.2802 61.9138 31.9553 177.9384 *174 L 4.1666 7.8431 117.5720 53.3189 43.4921 176.0789 175 D 4.3536 8.4483 117.4404 54.8974 39.9514 173.3557 176 D 4.6707 8.1608 117.3058 52.7647 44.2617 175.5952 177 T 4.1118 8.5846 116.8446 63.6326 69.8245 176.0506 178 E 4.0034 8.4170 123.4413 59.6574 29.0911 178.3963 179 E 3.9748 8.2689 118.2876 58.7828 29.5472 178.4726 180 L 4.2026 8.3031 119.4763 57.2290 42.0045 178.4967 181 E 3.9522 7.6606 117.7953 59.4545 29.5338 179.0880 182 T 3.8961 8.1746 109.6897 64.7896 68.9452 176.5252 183 A 4.1028 7.6974 122.4143 54.6525 18.2443 179.5624 184 R 3.8062 8.1882 117.4255 59.5614 30.1643 178.4774 185 Q 3.9378 7.8971 118.8005 59.5622 28.9975 178.1619 186 T 3.8706 8.3519 116.8877 66.7877 68.4639 176.2359 187 A 4.0281 8.4321 122.6145 55.4420 18.3703 179.8918 188 S 4.1178 8.3393 113.7603 61.7020 62.8469 176.8267 189 E 3.9566 8.6347 121.8018 59.4901 28.9861 178.8542 190 Y 3.9428 8.1917 118.5255 60.5451 39.0083 177.1578 191 A 3.9899 8.1657 120.8106 55.4045 18.7834 179.0842 192 D 4.4301 8.2896 117.2064 57.2248 40.5955 178.7753 193 A 3.8600 7.4155 116.8711 52.9039 18.2030 178.0719 *195 L 4.2469 7.8027 121.8281 55.5006 43.6317 177.2698 196 Q 4.3118 7.8204 120.4077 55.9494 28.9370 175.3293 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 T 7.98 4.62 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 9 F 8.05 4.25 0.00 3.40 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 10 S 9.10 4.14 0.00 3.97 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 11 D 8.02 4.35 0.00 2.79 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 12 Q 7.62 4.07 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.75 0.00 0.00 0.00 0.00 0.00 2.58 2.46 0.00 13 T 6.78 3.29 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 -0.27 0.00 0.00 14 E 7.52 3.99 0.00 2.08 2.30 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 2.35 2.40 0.00 15 E 7.79 4.17 0.00 2.25 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 0.00 2.69 2.49 0.00 16 I 7.42 3.56 1.80 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 -0.36 0.85 0.00 0.00 *18 Q 8.11 4.34 0.00 2.16 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.88 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 19 A 8.19 4.07 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.39 3.73 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 1.06 0.00 0.00 21 Y 8.12 4.26 0.00 3.38 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 22 R 8.40 3.68 0.00 1.89 2.08 0.00 3.30 0.00 0.00 3.38 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.16 0.00 23 A 7.68 4.12 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 24 L 8.28 3.95 0.00 1.53 1.62 0.95 0.97 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 25 R 7.43 4.22 0.00 1.51 1.75 0.00 3.10 0.00 0.00 2.63 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.52 0.00 26 E 7.82 4.69 0.00 1.77 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 2.15 2.49 0.00 27 H 8.27 4.74 0.00 3.02 3.27 0.00 5.97 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 G 7.97 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 0.00 0.00 0.00 0.00 29 Y 8.10 3.83 0.00 3.14 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 A 7.60 3.98 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 D 7.98 4.79 0.00 2.84 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 32 L 7.69 4.18 0.00 1.66 1.34 0.78 0.65 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 33 T 7.84 4.69 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 1.15 0.00 0.00 34 I 8.13 3.61 1.84 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 1.51 0.64 0.79 0.00 0.00 35 Q 8.14 3.96 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.91 0.00 0.00 0.00 0.00 0.00 2.42 2.52 0.00 36 R 7.76 4.18 0.00 1.74 1.84 0.00 2.99 0.00 0.00 2.67 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 37 I 7.41 3.71 1.94 0.00 0.00 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 1.30 0.80 0.82 0.00 0.00 38 A 8.72 4.19 1.49 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 0.00 0.00 39 D 8.39 4.32 0.00 2.73 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 40 E 7.99 4.16 0.00 2.08 2.06 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 2.53 2.57 0.00 41 Y 7.93 4.49 0.00 2.93 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 G 8.63 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 0.00 0.00 0.00 43 K 7.07 4.57 0.00 1.46 1.65 0.00 0.80 0.00 0.00 1.65 0.00 0.00 2.59 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.14 0.98 7.81 44 S 8.23 4.44 0.00 4.01 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 45 T 8.43 3.91 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 1.24 0.00 0.00 46 A 7.77 4.04 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 A 7.71 4.07 1.46 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 0.00 0.00 0.00 48 V 7.86 3.85 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 1.17 0.00 0.00 1.03 0.00 0.00 49 H 8.21 5.42 0.00 3.30 3.37 0.00 5.70 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 Y 7.76 3.99 0.00 2.89 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 51 Y 7.79 4.36 0.00 2.45 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 0.00 0.00 0.00 0.00 52 Y 7.64 4.92 0.00 3.05 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 53 D 9.14 4.40 0.00 2.89 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 54 T 7.68 4.75 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 55 K 8.67 3.96 0.00 1.81 1.82 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.44 7.81 56 D 8.06 4.38 0.00 2.80 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 57 D 7.86 4.46 0.00 2.99 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 58 L 7.95 2.87 0.00 1.42 1.59 0.74 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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8.14 3.50 0.00 1.86 1.49 0.75 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 68 E 8.99 3.78 0.00 1.86 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 0.00 2.28 2.49 0.00 69 R 7.49 3.80 0.00 1.81 1.83 0.00 2.21 0.00 0.00 2.69 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.35 0.00 70 F 8.21 3.85 0.00 3.29 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 71 V 7.79 3.95 2.17 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 1.05 0.00 0.00 0.96 0.00 0.00 72 D 8.00 4.44 0.00 2.77 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 73 S 8.26 5.19 0.00 3.88 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 74 I 7.66 3.71 1.94 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 1.68 1.34 1.03 0.00 0.00 75 H 7.96 4.46 0.00 3.40 3.37 0.00 5.72 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 D 7.64 4.80 0.00 2.90 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 77 V 7.28 4.38 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 0.78 0.00 0.00 0.97 0.00 0.00 78 E 8.66 4.41 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 2.19 2.26 0.00 79 T 7.79 4.03 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 80 T 8.17 4.17 4.16 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 1.18 0.00 0.00 81 D 7.95 4.31 0.00 2.83 2.64 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 82 P 0.00 4.36 0.00 1.99 2.29 0.00 3.67 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 1.74 1.81 0.00 83 E 8.10 4.17 0.00 2.09 1.99 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 2.45 2.53 0.00 84 A 8.14 4.04 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 85 R 8.52 3.84 0.00 2.00 2.13 0.00 3.46 0.00 0.00 3.02 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 86 L 8.31 3.97 0.00 2.02 1.92 0.90 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 87 N 8.27 4.38 0.00 2.82 2.88 0.00 0.00 7.09 6.38 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 88 L 8.21 4.00 0.00 1.91 1.73 0.93 0.68 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 89 L 7.86 4.01 0.00 1.89 1.74 0.93 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 90 L 8.04 3.99 0.00 2.04 1.74 0.93 0.94 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 91 D 8.47 4.37 0.00 2.82 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 92 E 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0.00 2.29 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.55 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 127 N 8.59 4.31 0.00 2.78 3.06 0.00 0.00 6.87 8.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 D 8.58 4.34 0.00 2.88 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 0.00 129 E 8.25 4.06 0.00 2.31 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 0.00 2.40 2.37 0.00 130 Y 7.73 4.21 0.00 2.86 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 0.00 131 V 7.79 3.63 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 0.88 0.00 0.00 0.94 0.00 0.00 132 R 8.54 4.11 0.00 2.07 2.00 0.00 3.19 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.88 0.00 133 Y 7.91 3.95 0.00 3.23 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 *135 L 7.77 4.16 0.00 1.90 1.65 0.91 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 136 K 8.54 4.00 0.00 1.90 1.63 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.42 7.81 137 A 8.02 3.79 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 0.00 138 V 7.52 3.71 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 0.90 0.00 0.00 1.06 0.00 0.00 139 I 7.72 3.78 1.85 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.77 0.88 0.00 0.00 140 N 8.32 4.33 0.00 2.96 2.88 0.00 0.00 6.71 8.41 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 0.00 141 H 8.37 4.17 0.00 3.36 3.49 0.00 5.78 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 G 8.30 3.37 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 0.00 143 I 7.89 4.22 2.03 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 1.83 1.81 0.93 0.00 0.00 144 D 8.12 4.35 0.00 2.73 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 0.00 145 E 8.37 4.10 0.00 1.65 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 2.15 2.20 0.00 146 G 7.74 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 0.00 147 V 7.27 3.77 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 0.56 0.00 0.00 -0.02 0.00 0.00 148 F 7.69 5.41 0.00 3.03 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 0.00 149 T 8.83 4.06 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 150 D 8.44 4.53 0.00 2.64 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 0.00 151 V 7.60 4.20 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 0.84 0.00 0.00 0.88 0.00 0.00 152 D 8.28 4.54 0.00 2.76 2.60 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 0.00 153 A 8.43 4.03 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 E 8.23 3.99 0.00 2.21 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 2.37 2.38 0.00 155 H 8.53 4.09 0.00 3.42 3.54 0.00 5.79 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 V 7.94 3.68 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 1.06 0.00 0.00 0.99 0.00 0.00 157 T 7.86 3.86 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 158 R 7.90 3.89 0.00 1.92 2.11 0.00 3.10 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 159 S 8.11 3.87 0.00 3.92 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 0.00 160 L 8.08 3.90 0.00 1.86 1.71 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 161 L 8.05 4.06 0.00 1.80 1.67 0.96 0.72 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 0.00 162 T 7.96 3.96 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 163 I 7.59 3.67 1.96 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.61 0.88 0.00 0.00 164 I 7.64 3.71 1.98 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 1.54 0.97 0.94 0.00 0.00 165 D 8.26 4.47 0.00 2.65 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 G 8.00 3.62 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 0.00 0.00 0.00 167 A 8.22 4.00 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 0.00 168 R 8.03 3.90 0.00 2.05 2.03 0.00 3.14 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.96 0.00 169 T 7.84 3.91 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 170 R 8.06 4.08 0.00 1.96 1.98 0.00 3.17 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 171 A 8.49 4.65 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 V 7.40 3.74 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 0.88 0.00 0.00 1.00 0.00 0.00 *174 L 7.84 4.17 0.00 1.66 1.76 0.96 1.08 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 0.00 175 D 8.45 4.35 0.00 2.73 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 D 8.16 4.67 0.00 2.70 2.44 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 0.00 177 T 8.58 4.11 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 178 E 8.42 4.00 0.00 2.21 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 0.00 2.32 2.40 0.00 179 E 8.27 3.97 0.00 2.22 1.99 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 2.27 2.47 0.00 180 L 8.30 4.20 0.00 2.00 1.70 0.95 0.78 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 0.00 181 E 7.66 3.95 0.00 2.24 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 2.33 0.00 182 T 8.17 3.90 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 183 A 7.70 4.10 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 R 8.19 3.81 0.00 2.06 2.12 0.00 3.17 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 185 Q 7.90 3.94 0.00 2.17 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.52 0.00 0.00 0.00 0.00 0.00 2.60 2.42 0.00 186 T 8.35 3.87 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 187 A 8.43 4.03 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 0.00 188 S 8.34 4.12 0.00 3.99 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 0.00 189 E 8.63 3.96 0.00 2.20 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 2.34 2.33 0.00 190 Y 8.19 3.94 0.00 2.92 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 0.00 191 A 8.17 3.99 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 0.00 192 D 8.29 4.43 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 0.00 193 A 7.42 3.86 1.24 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 0.00 0.00 *195 L 7.80 4.25 0.00 1.78 1.55 0.70 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 196 Q 7.82 4.31 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.55 0.00 0.00 0.00 0.00 0.00 2.61 2.47 0.00 * Residues marked with a * may have inaccurate shift predictions.