NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 A 4.2876 8.2601 123.5822 52.0752 19.2586 175.8366 16 A 4.5547 8.1619 124.2287 49.7711 22.4456 174.0336 17 N 4.7314 8.5333 117.7374 51.8358 42.2483 174.8384 18 R 3.8437 8.5648 120.5233 60.1307 29.9546 178.0745 19 A 4.1061 7.9936 119.7662 54.9660 18.5005 179.6927 20 G 3.5241 7.9825 103.8453 47.9521 0.0000 175.6747 21 R 3.9176 8.2849 121.7050 59.3425 29.9733 178.6768 22 Q 3.9599 8.1322 117.4527 58.5422 28.6628 178.3593 23 A 3.9715 7.9217 121.7219 55.3158 18.4666 179.8089 24 R 3.8808 7.9713 116.5267 59.4425 30.0762 179.3063 25 I 3.6662 7.9605 119.8107 64.5117 37.2961 178.6212 26 V 3.6341 8.0817 118.9430 65.8412 31.1397 178.0148 27 A 4.0900 7.9460 120.5932 55.1244 18.3353 179.5305 28 I 3.6864 8.1865 118.7684 64.7356 37.0213 178.7383 29 L 4.1233 8.2240 118.7840 57.2882 41.4194 179.0754 30 S 4.4429 7.5732 112.4640 60.1764 63.5871 175.7812 31 S 4.5261 7.7570 115.5005 58.0000 63.5556 173.4333 32 A 4.6880 7.3744 124.0051 50.5015 22.1109 175.3242 33 Q 4.3905 8.5509 118.5063 54.4699 29.3957 175.8532 34 V 4.3334 8.2864 123.7002 61.2832 32.7788 176.0629 35 R 4.7161 9.0492 126.7849 57.2138 31.1629 176.9784 36 S 4.8916 7.5816 111.4914 56.1621 66.9775 174.9951 37 Q 3.9174 8.7052 121.6218 59.1202 28.5641 178.6334 38 N 4.3050 8.1856 117.1827 56.2693 38.5738 176.8670 39 E 3.9386 8.1468 120.3948 59.1323 29.7850 178.5639 40 L 3.9269 7.9728 120.2312 58.1117 42.0214 178.8182 41 A 3.9933 8.3897 120.8652 55.0096 18.3828 179.5178 42 A 3.9359 7.9891 119.1707 55.3136 16.9204 179.8493 43 L 3.9968 8.0901 117.5407 57.9341 41.6465 179.7686 44 L 4.3131 8.1339 118.7408 57.4945 41.5932 179.2442 45 A 4.2580 8.7056 122.1300 54.3263 18.0195 179.4933 46 A 4.0085 7.9237 119.9064 54.4826 18.5861 177.9020 47 E 4.5416 7.4765 111.6159 56.1946 29.8711 177.2481 48 G 3.8263 8.1964 106.3656 46.6420 0.0000 174.3794 49 I 4.0010 7.6991 122.0325 60.2816 37.0776 174.8838 50 E 4.5539 8.6679 126.0621 54.6933 30.2480 175.7762 51 V 4.5088 7.9735 116.1244 59.0143 36.1041 175.6274 52 T 4.4176 7.9405 111.9055 60.5285 71.7212 175.5036 53 Q 3.8992 8.4275 120.7224 59.0963 29.0169 177.5116 54 A 3.9709 8.0534 121.3560 55.8210 18.3678 179.5795 55 T 3.8319 7.4020 113.6042 66.8156 68.3994 176.9488 56 L 4.0000 7.7911 120.6536 57.5343 41.6012 179.2917 57 S 4.0386 8.5005 113.6070 61.6404 62.2438 176.6355 58 R 3.9412 8.0105 120.5267 59.2800 29.7140 178.6679 59 D 4.3409 8.6476 119.0294 57.5463 40.7495 179.0072 60 L 3.9652 8.1717 119.5982 57.3231 41.5537 179.0839 61 E 3.9220 8.2316 119.3876 59.4345 29.4267 178.6519 62 E 3.9652 8.0956 117.2239 59.5284 29.6622 179.1836 63 L 4.2035 8.1431 117.4018 55.2321 41.6223 177.7347 64 G 3.9080 8.0249 106.3321 46.1363 0.0000 173.6281 65 A 4.4353 8.2489 121.5153 51.8298 19.0109 178.4913 66 V 4.4722 8.9826 114.5644 59.3784 35.9537 175.3717 67 K 4.1572 8.5283 125.2914 55.3100 32.0048 174.9638 68 L 4.7646 8.6753 130.6936 53.5604 43.9649 175.2648 69 R 4.7895 8.3270 120.4791 55.3346 32.4541 175.2867 70 G 4.0023 8.2572 109.4064 44.1669 0.0000 172.6427 71 A 4.0533 8.4184 122.4852 53.3137 18.8128 177.2641 72 D 4.4073 8.7099 121.4375 55.5207 38.5206 174.4000 73 G 3.9628 8.3200 104.6709 45.0070 0.0000 176.6432 74 G 3.8262 7.8106 106.7600 46.7392 0.0000 175.7597 75 T 4.0725 8.4184 117.0236 63.7871 69.3180 175.6613 76 G 4.0056 8.3753 107.2738 44.6667 0.0000 172.4797 77 I 4.7662 8.0254 112.9142 58.7369 41.1909 174.2001 78 Y 4.7333 8.9588 122.3354 58.2222 38.5049 175.6479 79 V 4.7510 9.1669 116.6044 59.6544 36.7061 174.6117 80 V 4.5947 8.2529 122.8336 59.1046 33.0795 174.2171 81 P 4.4855 0.0000 0.0000 63.5815 33.2342 176.4933 82 E 4.1064 8.4264 120.0297 55.3051 25.4425 178.9473 *90 V 3.9630 8.2388 124.0150 62.6769 32.2911 174.8297 91 S 4.4226 8.4963 115.2165 57.8010 65.5602 174.6701 92 G 3.7366 9.1208 106.9066 46.1366 0.0000 172.4011 93 G 4.3978 7.8197 117.9928 46.4506 0.0000 175.1344 94 T 3.9572 7.7403 116.6475 64.9315 68.4886 176.6718 95 D 4.3030 7.9511 121.2651 56.1576 39.9884 178.0393 96 R 3.8239 8.0292 120.3037 59.3775 29.8407 177.6907 97 M 3.9307 7.7624 117.2146 58.7429 32.3049 177.9870 98 A 4.0050 8.2851 121.1767 54.9783 17.9107 179.5629 99 R 3.8063 8.2043 117.4363 59.8082 30.1842 178.8872 100 L 4.0240 7.9555 118.6624 57.5524 41.5999 179.4168 101 L 4.0144 8.6965 119.6402 57.8274 41.3604 179.5957 102 G 3.7313 8.0161 104.4986 47.7186 0.0000 174.5900 103 E 4.2833 7.5941 118.9579 57.3728 30.4045 176.7429 104 L 4.4741 8.5525 116.9934 54.2817 43.3929 175.6889 105 L 4.1016 7.6658 121.0784 54.5638 41.5487 176.0848 106 V 4.0926 8.9484 128.0918 65.3031 32.2861 176.0273 107 S 4.8207 7.5677 112.2636 57.6796 65.8685 173.7348 108 T 5.1542 8.0884 110.0824 60.6506 72.3029 171.8050 109 D 4.6384 8.3901 120.4968 54.6583 45.5005 173.2049 110 D 4.9620 8.3463 117.5346 53.3814 42.1324 175.3299 111 S 4.4054 9.3891 111.3623 58.6297 67.0249 174.8013 112 G 3.7281 8.2183 117.3201 47.2980 0.0000 173.6918 113 N 5.0488 8.7338 121.4260 52.2909 37.5009 173.5430 114 L 5.3271 8.0637 118.5290 53.4885 45.1293 175.2981 115 A 5.0354 8.7906 124.9583 50.4556 21.8670 175.8235 116 V 4.6697 8.9256 121.4296 61.0828 34.1504 174.2718 117 L 5.1234 8.9725 128.1766 53.0082 44.5897 175.5153 118 R 5.1462 8.8899 122.6587 54.7227 32.3085 175.3674 119 T 5.6208 8.3279 112.1926 57.8713 73.0999 171.3302 120 P 4.4643 0.0000 0.0000 61.4716 32.9164 174.4453 121 P 4.5217 0.0000 0.0000 63.9071 31.6375 177.7756 122 G 3.9699 8.7388 110.2175 46.3418 0.0000 174.8454 123 A 4.3484 7.9638 120.4041 53.2763 18.6876 179.1835 124 A 3.9264 7.8850 119.6764 55.5054 18.4832 179.3524 125 H 4.0826 8.2246 114.2626 58.9473 28.6684 177.1689 126 Y 4.3489 8.0497 120.9174 60.7327 38.7168 177.6030 127 L 3.7385 7.9954 120.8655 58.2036 42.1631 178.8754 128 A 3.9404 8.3101 121.1995 55.1064 18.2668 179.7702 129 S 4.0978 8.3984 112.8399 61.5027 62.9560 176.6497 130 A 3.9517 7.7084 124.5461 54.8087 17.8299 179.7205 131 I 3.7290 7.6397 117.6590 64.6280 37.5061 177.8367 132 D 4.5593 8.4181 120.1238 57.7883 40.4987 179.4007 133 R 4.0303 7.9161 116.5316 58.7088 30.1196 178.4750 134 A 4.0336 7.7888 119.3756 52.3054 19.4647 176.8371 135 A 3.7189 7.7090 120.0090 52.9489 16.8674 177.6061 136 L 4.1266 7.4079 121.6401 53.9827 42.7604 177.6659 137 P 4.2723 0.0000 0.0000 65.4012 31.6012 177.1583 138 Q 4.2671 8.0008 115.0510 55.8156 29.0706 174.4657 139 V 4.6432 7.4192 119.4403 61.2708 32.2403 175.7216 140 V 3.7713 9.1736 129.7564 65.5550 32.2483 175.6802 141 G 4.1982 7.3821 105.5068 46.2281 0.0000 172.0151 142 T 5.3786 8.5267 108.8663 59.9389 72.3084 173.4646 143 I 4.6940 8.5886 122.4494 59.5792 41.0867 174.1136 144 A 4.9889 8.7148 128.1468 49.4831 21.3828 174.4884 145 G 4.0225 9.0095 109.5252 45.7160 0.0000 173.4886 146 D 4.7688 9.2360 123.3304 55.0812 42.7576 176.1916 147 D 5.1773 7.8144 115.1276 51.8190 41.3884 174.6708 148 T 5.2091 7.7827 114.3640 62.5055 73.4098 172.7033 149 I 4.9875 8.7005 124.9344 59.5581 41.4634 174.2385 150 L 4.9070 8.7468 126.8290 53.4618 43.6167 175.5658 151 V 4.7271 8.6619 124.3968 61.0732 34.1197 174.3562 152 V 4.5888 8.8631 128.9949 61.7960 32.6036 174.8229 153 A 4.7211 8.8601 131.1460 51.5460 19.6714 176.6707 154 R 4.1562 8.8878 123.2216 55.4819 31.2641 176.0037 155 E 4.2303 8.9436 126.4316 56.5113 29.9887 174.8537 156 P 4.7253 0.0000 0.0000 62.6618 31.8248 175.8917 157 T 3.8959 7.5719 116.0428 64.6281 68.9944 174.2531 158 T 4.6758 8.1324 115.1508 59.9148 72.5886 175.9772 159 G 3.6387 8.7740 108.1826 47.8426 0.0000 175.7996 160 A 4.1768 7.9975 122.5731 55.0903 18.3508 179.3865 161 Q 3.8622 8.1323 117.9545 59.2183 29.0874 178.1568 162 L 3.8007 7.8605 119.7972 57.9176 41.6416 179.4052 163 A 4.3161 8.6513 120.9911 55.1683 18.2963 179.8206 164 G 3.5846 8.3649 104.5522 48.2264 0.0000 175.5326 165 M 3.9370 8.5552 121.2047 58.3462 32.3281 178.3729 166 F 4.2903 8.2653 118.2946 60.6316 38.8630 177.5771 167 E 4.0950 8.5150 117.6417 59.0247 29.2220 178.6520 168 N 4.4867 7.9219 116.7616 56.5231 39.2635 176.7284 169 L 4.1628 7.8819 118.1968 56.3098 41.8203 177.0688 170 R 4.0913 7.6696 123.5100 56.8121 29.9871 175.6906 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 15 A 8.26 4.29 1.28 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 0.00 0.00 16 A 8.16 4.55 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.53 4.73 0.00 2.74 2.76 0.00 0.00 6.45 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 18 R 8.56 3.84 0.00 1.86 1.95 0.00 3.17 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 19 A 7.99 4.11 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 20 G 7.98 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.28 3.92 0.00 1.86 2.13 0.00 3.08 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 22 Q 8.13 3.96 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 23 A 7.92 3.97 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 24 R 7.97 3.88 0.00 2.04 2.00 0.00 3.30 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.90 0.00 25 I 7.96 3.67 2.01 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 1.37 0.70 0.87 0.00 0.00 26 V 8.08 3.63 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 1.02 0.00 0.00 1.00 0.00 0.00 27 A 7.95 4.09 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 28 I 8.19 3.69 2.01 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 0.99 0.92 0.00 0.00 29 L 8.22 4.12 0.00 1.60 1.78 0.96 0.84 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 30 S 7.57 4.44 0.00 4.11 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 31 S 7.76 4.53 0.00 4.02 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 32 A 7.37 4.69 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 33 Q 8.55 4.39 0.00 2.04 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.70 0.00 0.00 0.00 0.00 0.00 2.29 2.39 0.00 34 V 8.29 4.33 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.97 0.00 0.00 35 R 9.05 4.72 0.00 1.96 1.98 0.00 3.23 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 36 S 7.58 4.89 0.00 4.06 3.97 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 0.00 0.00 0.00 37 Q 8.71 3.92 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.93 0.00 0.00 0.00 0.00 0.00 2.16 2.40 0.00 38 N 8.19 4.30 0.00 2.82 2.88 0.00 0.00 6.79 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 39 E 8.15 3.94 0.00 2.10 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 0.00 2.33 2.33 0.00 40 L 7.97 3.93 0.00 1.74 1.76 0.89 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.39 3.99 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 42 A 7.99 3.94 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 43 L 8.09 4.00 0.00 1.87 1.75 0.94 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.13 4.31 0.00 1.83 1.83 0.90 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 45 A 8.71 4.26 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 46 A 7.92 4.01 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.48 4.54 0.00 2.06 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 2.39 2.37 0.00 48 G 8.20 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 49 I 7.70 4.00 1.99 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.15 0.91 0.00 0.00 50 E 8.67 4.55 0.00 1.93 1.88 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 2.22 2.29 0.00 51 V 7.97 4.51 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 0.76 0.00 0.00 0.91 0.00 0.00 52 T 7.94 4.42 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 53 Q 8.43 3.90 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.88 0.00 0.00 0.00 0.00 0.00 2.52 2.37 0.00 54 A 8.05 3.97 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 55 T 7.40 3.83 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 1.23 0.00 0.00 56 L 7.79 4.00 0.00 1.80 1.61 0.90 0.62 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 57 S 8.50 4.04 0.00 3.96 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 58 R 8.01 3.94 0.00 2.05 1.95 0.00 3.30 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 59 D 8.65 4.34 0.00 2.72 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 60 L 8.17 3.97 0.00 1.60 1.65 0.31 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 61 E 8.23 3.92 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 62 E 8.10 3.97 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.57 0.00 63 L 8.14 4.20 0.00 1.86 1.74 0.98 1.13 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 64 G 8.02 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 0.00 0.00 0.00 65 A 8.25 4.44 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 66 V 8.98 4.47 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 0.78 0.00 0.00 1.00 0.00 0.00 67 K 8.53 4.16 0.00 1.21 1.49 0.00 1.37 0.00 0.00 1.42 0.00 0.00 2.87 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.01 0.39 7.81 68 L 8.68 4.76 0.00 1.70 1.46 0.91 0.74 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 69 R 8.33 4.79 0.00 1.92 1.78 0.00 3.10 0.00 0.00 3.27 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.61 0.00 70 G 8.26 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 0.00 0.00 0.00 71 A 8.42 4.05 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 72 D 8.71 4.41 0.00 2.81 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 73 G 8.32 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 74 G 7.81 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 75 T 8.42 4.07 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 76 G 8.38 4.01 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 0.00 0.00 0.00 77 I 8.03 4.77 1.97 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 1.21 1.22 0.91 0.00 0.00 78 Y 8.96 4.73 0.00 2.87 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 79 V 9.17 4.75 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 0.95 0.00 0.00 80 V 8.25 4.59 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 0.78 0.00 0.00 0.95 0.00 0.00 81 P 0.00 4.49 0.00 2.07 2.03 0.00 3.67 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 82 E 8.43 4.11 0.00 2.03 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 0.00 2.16 2.23 0.00 *90 V 8.24 3.96 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 0.72 0.00 0.00 1.00 0.00 0.00 91 S 8.50 4.42 0.00 3.84 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 92 G 9.12 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 G 7.82 4.40 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 0.00 94 T 7.74 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 1.20 0.00 0.00 95 D 7.95 4.30 0.00 2.90 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 96 R 8.03 3.82 0.00 1.88 2.11 0.00 3.30 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 1.63 1.70 0.00 97 M 7.76 3.93 0.00 2.22 2.21 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.63 0.00 98 A 8.29 4.00 1.42 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 0.00 0.00 99 R 8.20 3.81 0.00 2.06 2.06 0.00 3.11 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 100 L 7.96 4.02 0.00 1.76 1.54 0.26 0.34 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 0.00 101 L 8.70 4.01 0.00 1.83 1.75 1.13 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 102 G 8.02 3.73 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 0.00 0.00 0.00 103 E 7.59 4.28 0.00 2.14 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 2.31 2.36 0.00 104 L 8.55 4.47 0.00 1.73 1.66 1.02 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.67 4.10 0.00 1.86 1.59 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 106 V 8.95 4.09 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.97 0.00 0.00 107 S 7.57 4.82 0.00 3.89 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 0.00 108 T 8.09 5.15 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 1.24 0.00 0.00 109 D 8.39 4.64 0.00 2.73 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 8.35 4.96 0.00 2.77 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 0.00 111 S 9.39 4.41 0.00 3.81 3.70 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 0.00 112 G 8.22 3.73 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 0.00 0.00 0.00 113 N 8.73 5.05 0.00 2.89 3.03 0.00 0.00 5.73 6.67 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 0.00 114 L 8.06 5.33 0.00 1.72 1.57 0.93 0.57 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 0.00 115 A 8.79 5.04 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 0.00 116 V 8.93 4.67 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 0.93 0.00 0.00 117 L 8.97 5.12 0.00 1.41 1.35 0.14 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 118 R 8.89 5.15 0.00 1.67 1.79 0.00 3.20 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.67 0.00 119 T 8.33 5.62 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 1.16 0.00 0.00 120 P 0.00 4.46 0.00 2.11 2.03 0.00 3.61 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 121 P 0.00 4.52 0.00 2.04 1.98 0.00 3.74 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 122 G 8.74 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 123 A 7.96 4.35 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 0.00 124 A 7.88 3.93 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 0.00 125 H 8.22 4.08 0.00 3.23 3.41 0.00 5.63 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 Y 8.05 4.35 0.00 2.95 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 0.00 127 L 8.00 3.74 0.00 1.75 1.59 0.81 0.96 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 0.00 128 A 8.31 3.94 1.30 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 0.00 129 S 8.40 4.10 0.00 4.09 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 0.00 130 A 7.71 3.95 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 0.00 131 I 7.64 3.73 2.02 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.70 1.05 0.00 0.00 132 D 8.42 4.56 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 0.00 133 R 7.92 4.03 0.00 1.79 1.99 0.00 3.16 0.00 0.00 3.24 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.89 0.00 134 A 7.79 4.03 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 0.00 135 A 7.71 3.72 1.31 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 0.00 136 L 7.41 4.13 0.00 1.70 1.55 0.87 1.01 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 0.00 137 P 0.00 4.27 0.00 2.02 2.10 0.00 3.63 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.09 0.00 138 Q 8.00 4.27 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.87 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 139 V 7.42 4.64 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 0.81 0.00 0.00 0.98 0.00 0.00 140 V 9.17 3.77 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 0.78 0.00 0.00 0.99 0.00 0.00 141 G 7.38 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 T 8.53 5.38 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 143 I 8.59 4.69 1.86 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 1.16 0.95 0.90 0.00 0.00 144 A 8.71 4.99 0.93 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 0.00 0.00 145 G 9.01 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 0.00 146 D 9.24 4.77 0.00 2.67 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 0.00 147 D 7.81 5.18 0.00 2.89 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 0.00 148 T 7.78 5.21 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 149 I 8.70 4.99 1.75 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 1.15 0.66 0.82 0.00 0.00 150 L 8.75 4.91 0.00 1.62 1.58 0.91 0.50 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 0.00 151 V 8.66 4.73 2.21 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 1.12 0.00 0.00 0.86 0.00 0.00 152 V 8.86 4.59 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 0.82 0.00 0.00 0.98 0.00 0.00 153 A 8.86 4.72 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 0.00 154 R 8.89 4.16 0.00 1.88 1.81 0.00 3.15 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 1.62 1.61 0.00 155 E 8.94 4.23 0.00 1.99 1.88 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 2.32 2.31 0.00 156 P 0.00 4.73 0.00 2.16 2.12 0.00 3.77 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 1.96 0.00 157 T 7.57 3.90 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 1.23 0.00 0.00 158 T 8.13 4.68 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 1.21 0.00 0.00 159 G 8.77 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 0.00 0.00 0.00 160 A 8.00 4.18 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 0.00 161 Q 8.13 3.86 0.00 2.14 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.71 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 162 L 7.86 3.80 0.00 1.99 1.83 0.86 1.05 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 0.00 163 A 8.65 4.32 1.42 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 0.00 0.00 164 G 8.36 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 M 8.56 3.94 0.00 1.85 1.90 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.11 0.00 166 F 8.27 4.29 0.00 3.09 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 0.00 167 E 8.52 4.09 0.00 2.09 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 2.57 2.50 0.00 168 N 7.92 4.49 0.00 2.86 2.93 0.00 0.00 7.23 7.84 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 0.00 169 L 7.88 4.16 0.00 1.72 1.73 0.85 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 170 R 7.67 4.09 0.00 1.99 1.87 0.00 3.31 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 * Residues marked with a * may have inaccurate shift predictions.