NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.4690 8.1593 117.3731 63.5619 70.1042 173.5166 4 S 4.6483 8.4002 120.7275 55.5692 66.6567 172.7670 5 P 4.2044 0.0000 0.0000 66.0996 31.4151 179.9211 6 A 4.0222 7.9706 118.7507 55.2493 18.2763 179.2109 7 D 4.3465 7.8689 116.9549 57.9431 40.8206 179.2777 8 T 3.9828 8.1898 116.0315 66.4746 68.3415 176.7939 9 A 3.9785 8.6024 123.1717 55.0430 18.3602 179.7757 10 R 3.5877 8.1701 117.2552 59.5673 30.2371 177.8058 11 Y 4.2586 8.2251 119.6022 61.1742 38.7635 177.9925 12 N 4.1475 8.5176 117.2708 56.4805 38.5965 177.6322 13 R 3.8636 7.4972 119.5250 59.0934 30.1057 179.0802 14 F 4.8195 7.7510 119.0776 60.0033 38.7698 177.9003 15 V 3.2758 7.6807 117.8276 65.6291 31.0784 177.9977 16 A 3.9840 7.7015 120.6707 54.9896 18.2985 179.3433 17 D 4.2408 7.9151 117.4914 57.2350 40.6125 178.5695 18 L 3.8845 7.0925 119.3308 58.3442 42.1942 178.7351 19 F 4.8488 7.9459 116.5543 60.0134 40.4733 177.3159 20 G 4.2268 8.4610 107.5691 44.4278 0.0000 173.3618 *23 A 4.5398 7.6207 126.0870 52.7260 21.4039 178.9117 24 Y 4.1653 8.2280 116.4943 60.6037 38.7254 178.2407 25 G 3.6387 8.1753 106.2817 47.8489 0.0000 175.3485 26 E 4.1544 8.1193 120.7006 58.9560 29.6547 178.8219 27 L 3.7745 7.8592 120.3203 58.3138 41.9519 179.2026 28 S 3.8709 7.5804 114.5319 61.5113 62.6987 176.5637 29 A 3.2323 7.9190 123.4305 54.7290 18.0690 179.3170 30 F 4.1130 8.3585 119.2977 61.5920 39.6064 177.2221 31 E 3.4789 8.0672 117.9595 59.3219 29.1748 179.7084 32 R 3.8441 7.8762 118.2700 59.2371 30.1591 179.1659 33 F 4.5579 8.0019 118.0178 60.4982 38.6655 177.9365 34 S 4.0650 7.7103 112.7869 61.4641 62.6564 176.1848 35 A 4.1302 7.8170 124.1659 54.9038 18.1658 179.3911 36 D 4.5085 8.6155 117.3808 57.3428 40.7074 178.6975 37 A 4.3074 8.1850 121.6018 55.4064 18.1383 179.6562 38 R 3.7891 7.3574 115.3420 59.1597 29.9993 177.0661 39 Y 4.5395 7.4747 114.4031 57.6977 36.5634 175.6920 40 S 2.7900 7.4640 116.5461 56.7084 63.5446 173.6876 41 P 4.3323 0.0000 0.0000 65.1270 31.2052 176.1781 42 T 4.6063 6.4827 105.4572 58.4301 72.2011 174.2041 43 L 3.9630 8.3571 123.4424 58.4291 41.8392 178.2782 44 H 4.1066 8.2125 116.9046 59.6121 30.0043 176.0549 45 D 4.4902 7.8009 117.9082 55.2328 40.4410 178.4907 46 R 3.8562 7.5826 119.4470 59.3859 30.0934 178.4601 47 A 3.9284 7.9307 118.8874 54.0545 17.9847 179.2992 48 V 3.5707 7.5339 117.1811 66.4316 31.6396 178.1141 49 L 4.2044 8.1205 118.0490 57.1924 41.6559 179.5180 50 G 3.6762 7.7758 105.8416 47.7406 0.0000 175.9495 51 R 4.0131 8.3524 120.9657 59.1386 30.1681 179.2999 52 I 3.8340 7.5529 111.4218 63.6948 37.5214 177.9450 53 A 4.3141 8.3529 122.7916 55.2895 18.1826 179.8075 54 V 3.7466 8.1452 116.6370 66.1805 31.6063 178.1125 55 V 3.5894 7.8636 118.0336 66.2730 31.1982 177.7666 56 E 4.0325 8.5115 118.0565 59.5868 29.3708 179.2177 57 F 3.8863 8.4484 120.6015 61.0610 39.3615 177.1165 58 R 3.9112 8.4157 118.6994 59.6311 29.8074 178.2926 59 H 4.1723 8.3627 116.0697 59.0205 28.6796 176.8486 60 Y 4.2459 7.9799 122.8022 60.2296 38.4836 178.3511 61 E 3.2796 7.8419 119.1039 58.8985 29.4779 179.1398 62 L 3.7685 7.6066 120.4073 57.9779 42.0661 179.2917 63 V 3.0652 7.6159 118.2404 65.8808 31.4632 177.9541 64 S 3.8604 7.7606 115.0144 61.6072 62.5001 176.7686 65 A 3.8403 7.7722 123.1441 54.9533 17.8853 179.4662 66 R 3.7020 7.4545 116.0858 59.5297 30.3539 178.2179 67 L 4.1961 7.9459 119.0741 57.9089 41.4679 179.3388 68 E 4.1952 8.1121 116.9803 58.5829 29.6771 180.3822 69 A 4.3177 8.0783 123.1490 51.0691 18.2205 178.1548 *71 G 3.8163 7.8554 107.6270 46.3517 0.0000 173.1073 72 I 4.3506 7.6487 120.7013 59.0490 39.2466 174.6764 73 D 4.6957 8.5318 123.5253 53.5233 41.6165 176.3948 74 A 3.9913 8.7032 129.5730 55.6884 18.4537 178.4285 75 E 4.1425 8.2630 114.6228 59.8941 29.6684 178.9596 76 D 4.5392 8.0813 116.9424 57.1221 40.5834 178.6813 77 A 4.2527 7.9265 119.5657 52.5549 18.5760 179.3100 *79 L 4.0723 7.8679 122.1085 55.9571 43.4880 177.8350 80 P 3.9884 0.0000 0.0000 64.4451 31.3828 176.9026 81 F 4.7465 7.4830 115.0996 57.3230 40.1639 177.2732 82 Q 3.1353 7.7973 122.2633 58.8086 28.6543 177.8354 83 A 3.9998 7.8765 120.9950 55.1693 18.5338 179.2755 84 A 4.2554 7.9282 120.0656 54.8274 18.7032 179.8983 85 V 3.7037 8.0882 116.7265 66.4276 31.7481 177.9297 86 D 4.5820 8.7077 118.9541 57.5292 40.6383 178.2757 87 Y 3.9870 8.5819 120.3265 60.6896 38.6785 177.4911 88 F 4.1204 8.2520 120.1713 62.0589 39.7673 176.6224 89 H 4.2196 8.4846 116.6668 58.0787 28.2925 177.9309 90 S 4.1583 8.0177 115.1108 60.6236 62.9374 175.7383 91 R 4.2259 7.2631 119.7068 55.9344 30.9954 176.0655 92 T 4.5829 7.2552 108.8405 60.5264 68.5991 175.1712 93 R 4.3937 7.8956 120.2243 55.5436 30.4509 175.5466 94 P 3.8527 0.0000 0.0000 62.3804 31.9876 176.5463 95 A 3.9998 8.2387 124.0187 54.3654 19.0675 177.1415 96 D 4.4955 7.0975 114.1492 51.3453 43.3198 175.7528 97 W 4.0744 8.6592 127.8023 60.7377 30.3064 177.3347 98 Y 4.0359 7.8523 115.7603 61.0146 37.4524 177.7979 99 E 3.9939 8.3085 118.6781 59.1819 29.5880 179.2408 100 S 4.3818 7.7762 115.3428 61.3744 62.8446 176.8797 101 L 3.6952 7.4180 119.1845 55.8320 41.3453 178.1813 *103 K 4.2097 7.9866 119.7584 56.1237 34.1045 177.4796 104 A 3.7975 8.2154 120.5786 55.2631 18.0896 178.8556 105 Y 4.0580 8.0453 117.8217 60.8984 38.8890 178.4559 106 V 3.3733 7.8395 118.4354 66.2132 31.7368 177.8772 107 I 3.7164 8.1519 119.8075 64.3726 36.8004 178.0007 108 D 4.4030 8.4622 119.5122 57.1965 41.0374 178.2883 109 T 3.8929 7.6731 110.2756 64.3422 69.1032 177.1747 110 V 3.4994 7.5991 121.4753 65.5360 31.5364 178.0706 111 S 3.6854 7.7586 113.3315 61.3329 62.6999 176.2773 112 A 4.1295 7.7472 124.2148 54.8700 18.1273 179.3089 113 D 4.2835 8.0786 117.3306 57.5249 40.8587 178.7154 114 F 4.0812 8.2729 121.1385 61.6144 39.4537 176.7534 115 Y 4.4059 8.0478 116.2878 61.3231 37.4632 178.8027 116 R 3.9901 8.0035 117.7880 58.9537 30.1829 178.8362 117 A 4.1057 7.9625 120.8823 55.1831 18.6900 179.5930 118 I 3.8593 7.7026 110.8141 63.0483 37.6093 177.8477 119 S 4.1784 7.7006 114.2333 61.1612 62.1496 175.6416 120 R 3.9921 7.2150 119.6140 58.4588 29.9957 176.8902 121 Y 4.4258 7.5758 113.7127 58.5084 38.4837 175.5854 122 V 4.6187 7.4350 112.6775 59.0912 34.3835 175.3897 123 D 4.6286 8.6832 121.5384 53.2562 41.3245 177.3594 124 A 4.2124 8.5745 121.6385 55.1308 18.1966 180.2243 125 G 3.6204 8.1796 104.0968 48.0825 0.0000 176.1585 126 T 4.1579 8.3867 118.0959 66.4891 68.5781 176.7830 127 R 3.9297 8.4652 121.1217 59.5916 29.4692 178.0264 128 D 4.3084 7.9901 117.4956 57.3976 41.0948 178.4549 129 V 3.5698 7.6291 118.8849 65.9533 31.5616 178.1110 130 I 3.5409 7.6537 119.5634 64.1512 36.7334 178.1670 131 E 4.0791 8.1098 118.4904 59.0494 29.3024 179.0242 132 Q 4.1215 7.4933 117.1802 58.8563 28.8742 178.1717 133 I 3.6895 7.1816 119.6347 62.2275 37.3366 176.4564 134 Q 4.0814 7.1945 121.0334 55.4546 29.2249 175.6586 135 A 4.0791 8.9582 131.1219 53.0725 18.9315 178.5280 136 S 4.4460 8.6162 122.5388 60.1046 64.5837 171.9997 137 D 4.6785 8.7444 124.4852 58.8383 40.4878 179.7926 138 E 4.1293 8.1572 118.2533 61.0083 29.6208 181.2017 139 T 4.1583 7.8705 114.9847 67.3472 68.6926 176.8055 140 T 4.0103 7.8943 120.1968 67.3861 68.3850 177.2554 141 E 4.0857 8.3003 120.0020 60.7453 29.7796 181.8071 142 V 3.8090 7.5780 117.7392 66.2619 31.5347 178.2400 143 L 3.9459 7.5415 118.3501 57.6120 41.4962 179.1917 144 R 3.1889 7.9525 118.7079 59.3998 29.9817 178.1037 145 E 3.9369 8.4266 119.2728 59.2798 29.5769 178.7665 146 R 3.9836 7.9532 118.5223 59.1993 30.0754 178.4834 147 L 3.9462 8.0538 119.0351 57.7464 41.6053 179.2220 148 R 3.8180 8.2247 118.9704 59.6918 29.9879 178.3041 149 S 4.0934 8.1837 112.4323 61.3788 62.3309 176.0664 150 A 3.9889 8.0895 123.3976 55.2342 17.9562 179.6908 151 L 3.9019 7.9447 116.2896 57.7339 41.6991 179.3084 152 A 4.1165 8.2214 120.6293 55.0942 18.3588 178.9994 153 D 4.5827 7.7017 116.1649 54.9430 41.5190 176.3384 154 D 4.8137 7.6576 119.4338 51.4100 43.2430 174.5863 155 P 4.3946 0.0000 0.0000 65.6809 30.3467 177.9242 156 R 4.0478 8.1148 117.3009 58.0870 30.4755 178.6066 157 L 4.0274 7.6722 118.8289 57.7758 41.9330 178.2671 158 A 3.9730 7.9942 120.3528 55.5294 18.1287 179.3345 159 S 4.0269 8.0360 110.7757 61.5345 62.5600 176.2303 160 R 3.9159 7.4935 120.4676 59.5160 29.9050 178.5251 161 L 4.3073 8.3725 118.5390 57.2454 41.5635 179.3489 162 A 4.0402 8.3066 121.5341 54.8586 18.2490 179.2974 163 L 3.8902 7.7805 118.8938 58.0925 42.2674 178.7569 164 W 4.5947 8.3064 128.2045 60.6825 30.7059 177.7725 165 G 3.7724 8.7028 105.7547 48.2786 0.0000 175.7796 166 R 3.9960 8.0493 120.6259 58.6478 29.9744 179.2423 167 R 3.8293 8.1170 118.7747 59.3524 30.1496 178.4534 168 L 3.6782 7.8490 119.1385 57.5395 41.4735 179.3009 169 L 3.8616 7.7312 119.9716 58.0361 42.0220 178.9402 170 G 3.7740 7.9798 105.5881 48.2591 0.0000 175.3952 171 E 4.0753 8.4254 121.1971 58.8599 29.4358 179.3867 172 A 3.8670 8.3252 121.0145 54.8922 18.4279 179.6722 173 L 3.9047 8.2934 118.0033 58.2786 41.6866 179.8109 174 T 3.8943 8.1585 115.7633 66.8301 67.8578 176.6272 175 Q 4.1166 8.1664 119.0849 58.4024 28.8886 178.2305 176 A 3.9871 8.0728 122.0704 55.3277 18.3237 179.7503 177 Q 3.9258 8.0633 116.4698 58.8803 28.8486 178.6503 178 R 3.8441 7.9865 119.8638 59.4845 30.2319 178.7964 179 V 3.7579 8.0972 118.2053 66.1857 31.3321 178.2523 180 S 4.1923 8.0017 116.3659 62.3598 62.6572 176.2591 *181 Y 4.1340 7.9588 123.5807 61.6552 36.8201 180.8955 182 E 4.4280 8.7961 121.4602 58.8269 31.0343 177.8034 183 H 4.8095 7.7857 115.5667 55.4485 31.6587 171.8584 184 A 4.3803 7.8705 125.2478 51.1117 20.1020 177.6823 185 F 4.2904 7.7669 112.6863 56.1557 41.1644 176.9792 186 L 3.6800 6.8428 121.3584 57.6435 41.1260 179.5622 187 G 3.4092 7.5881 103.2906 47.4516 0.0000 175.2070 188 S 4.2078 7.4505 115.7962 60.6099 63.0518 175.7923 189 L 4.3455 7.2509 120.3959 57.3271 41.6085 178.2377 190 I 2.8394 7.5040 119.5057 62.8148 37.3118 176.6640 *196 A 4.3101 7.5957 120.5398 52.2528 20.7142 178.7387 197 A 4.1072 7.7755 116.5824 54.8358 18.5543 179.4459 198 A 3.9289 7.8674 119.0889 54.8703 18.6483 179.7220 199 K 3.8461 7.5343 115.9570 59.5637 32.1757 179.0928 200 E 4.0173 7.9334 121.5832 59.6101 29.5605 179.4679 201 L 4.0035 7.6966 122.2039 59.2988 41.0178 182.2419 202 V 3.7102 7.5106 118.5365 66.0463 31.3321 178.3986 203 S 4.2172 7.9971 114.9788 61.4247 62.7601 176.7783 204 G 3.6140 7.9840 108.1664 47.6115 0.0000 175.5666 205 L 3.9704 7.7666 122.0212 58.1144 42.2087 179.0588 206 I 3.7053 7.8624 119.5568 64.4110 36.9306 178.3406 207 A 4.1171 8.3868 121.9307 54.9372 18.3102 179.8371 208 G 3.5855 8.0091 103.9344 47.8959 0.0000 175.9365 209 L 3.9739 7.9129 120.8503 57.5008 41.7255 179.1858 210 A 3.9865 8.0019 120.6927 55.4308 18.3851 179.3417 211 E 3.9079 8.4247 117.7258 59.4096 29.7214 179.2213 212 K 4.0573 8.0473 118.2201 59.4128 31.8602 178.8102 213 H 4.0812 8.1053 118.0351 59.3258 29.8330 176.9937 214 S 4.1919 7.8590 113.8815 61.1269 62.6056 175.6039 215 K 4.1327 7.9852 122.1284 59.3840 31.9727 179.6774 216 R 4.3813 7.8329 117.1411 56.8074 29.8958 178.8084 *218 T 4.6381 7.8388 116.9616 63.9963 70.3372 176.0979 219 Q 4.1246 7.9340 117.3666 57.5161 28.8392 176.5812 220 L 4.3829 7.5399 115.9828 53.9448 41.7752 176.7406 221 G 3.9008 8.1491 106.6079 46.4813 0.0000 173.9332 222 L 4.6259 7.7443 120.8306 53.6842 43.8473 177.6849 223 T 4.2143 8.3020 111.8254 61.0942 68.5715 175.7570 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 3 T 8.16 4.47 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 4 S 8.40 4.65 0.00 4.03 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 5 P 0.00 4.20 0.00 2.18 2.17 0.00 3.60 0.00 0.00 3.77 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 6 A 7.97 4.02 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 7 D 7.87 4.35 0.00 2.98 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 8 T 8.19 3.98 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 1.27 0.00 0.00 9 A 8.60 3.98 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 10 R 8.17 3.59 0.00 1.95 2.14 0.00 3.16 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.25 0.00 11 Y 8.23 4.26 0.00 3.19 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 12 N 8.52 4.15 0.00 2.92 2.83 0.00 0.00 7.10 8.52 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 13 R 7.50 3.86 0.00 1.52 1.78 0.00 3.01 0.00 0.00 3.01 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.79 0.00 14 F 7.75 4.82 0.00 3.14 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 15 V 7.68 3.28 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 0.48 0.00 0.00 0.30 0.00 0.00 16 A 7.70 3.98 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 17 D 7.92 4.24 0.00 2.35 1.94 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 18 L 7.09 3.88 0.00 1.73 1.66 1.35 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.95 4.85 0.00 2.99 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 20 G 8.46 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *23 A 7.62 4.54 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 24 Y 8.23 4.17 0.00 3.25 3.13 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 0.00 0.00 0.00 0.00 25 G 8.18 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 26 E 8.12 4.15 0.00 2.28 2.34 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 2.55 2.47 0.00 27 L 7.86 3.77 0.00 1.20 1.40 0.46 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 28 S 7.58 3.87 0.00 3.87 3.71 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 29 A 7.92 3.23 1.07 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 30 F 8.36 4.11 0.00 3.47 3.39 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 31 E 8.07 3.48 0.00 2.10 1.87 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 2.39 2.73 0.00 32 R 7.88 3.84 0.00 1.39 1.85 0.00 3.09 0.00 0.00 2.96 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.25 0.00 33 F 8.00 4.56 0.00 3.07 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 34 S 7.71 4.06 0.00 3.81 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 8.08 4.28 0.00 2.91 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 0.00 114 F 8.27 4.08 0.00 2.99 2.96 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 0.00 115 Y 8.05 4.41 0.00 3.27 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 0.00 116 R 8.00 3.99 0.00 1.95 2.01 0.00 3.19 0.00 0.00 3.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.94 0.00 117 A 7.96 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 0.00 118 I 7.70 3.86 1.78 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.60 0.35 0.00 0.00 119 S 7.70 4.18 0.00 4.02 4.14 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 0.00 120 R 7.22 3.99 0.00 1.25 1.56 0.00 3.09 0.00 0.00 3.09 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.51 0.00 121 Y 7.58 4.43 0.00 3.03 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 V 7.44 4.62 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 0.84 0.00 0.00 1.09 0.00 0.00 123 D 8.68 4.63 0.00 2.94 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 0.00 124 A 8.57 4.21 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 G 8.18 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 0.00 126 T 8.39 4.16 4.46 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 1.11 0.00 0.00 127 R 8.47 3.93 0.00 1.95 2.09 0.00 3.10 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.66 0.00 128 D 7.99 4.31 0.00 3.16 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 0.00 129 V 7.63 3.57 2.31 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 0.67 0.00 0.00 0.90 0.00 0.00 130 I 7.65 3.54 2.00 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 1.41 1.02 0.78 0.00 0.00 131 E 8.11 4.08 0.00 1.94 2.01 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 2.35 2.42 0.00 132 Q 7.49 4.12 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 7.03 0.00 0.00 0.00 0.00 0.00 2.37 2.55 0.00 133 I 7.18 3.69 1.65 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.36 0.66 0.00 0.00 134 Q 7.19 4.08 0.00 2.28 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.79 0.00 0.00 0.00 0.00 0.00 2.47 2.52 0.00 135 A 8.96 4.08 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 0.00 136 S 8.62 4.45 0.00 3.75 3.76 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 0.00 137 D 8.74 4.68 0.00 2.75 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 E 8.16 4.13 0.00 1.97 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 1.97 0.00 139 T 7.87 4.16 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 1.27 0.00 0.00 140 T 7.89 4.01 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 1.39 0.00 0.00 141 E 8.30 4.09 0.00 2.01 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.18 0.00 142 V 7.58 3.81 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 1.00 0.00 0.00 1.01 0.00 0.00 143 L 7.54 3.95 0.00 2.07 1.69 0.95 0.69 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 0.00 144 R 7.95 3.19 0.00 1.78 1.99 0.00 3.14 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.33 0.00 145 E 8.43 3.94 0.00 2.13 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 2.32 2.38 0.00 146 R 7.95 3.98 0.00 2.16 2.08 0.00 3.35 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.95 0.00 147 L 8.05 3.95 0.00 1.74 1.59 0.64 0.96 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 0.00 148 R 8.22 3.82 0.00 1.90 2.06 0.00 3.09 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 149 S 8.18 4.09 0.00 4.09 4.06 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 0.00 150 A 8.09 3.99 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 0.00 151 L 7.94 3.90 0.00 1.76 1.72 0.96 0.82 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 0.00 152 A 8.22 4.12 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 0.00 153 D 7.70 4.58 0.00 2.75 2.72 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 0.00 0.00 0.00 0.00 154 D 7.66 4.81 0.00 2.62 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 P 0.00 4.39 0.00 2.20 2.15 0.00 3.79 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 1.96 1.97 0.00 156 R 8.11 4.05 0.00 2.06 1.99 0.00 3.11 0.00 0.00 3.08 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.55 0.00 157 L 7.67 4.03 0.00 1.68 1.66 0.75 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 158 A 7.99 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 0.00 159 S 8.04 4.03 0.00 3.90 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 0.00 160 R 7.49 3.92 0.00 1.95 2.05 0.00 3.15 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 161 L 8.37 4.31 0.00 1.79 1.84 0.97 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 162 A 8.31 4.04 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 0.00 163 L 7.78 3.89 0.00 1.78 1.99 0.97 1.16 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 0.00 164 W 8.31 4.59 0.00 3.56 3.22 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 0.00 165 G 8.70 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 R 8.05 4.00 0.00 2.11 2.00 0.00 3.15 0.00 0.00 3.12 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.80 0.00 167 R 8.12 3.83 0.00 2.00 1.86 0.00 3.29 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.68 0.00 168 L 7.85 3.68 0.00 1.56 1.53 0.32 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 169 L 7.73 3.86 0.00 1.51 1.73 0.74 0.95 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 0.00 170 G 7.98 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 E 8.43 4.08 0.00 2.05 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 0.00 2.47 2.32 0.00 172 A 8.33 3.87 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 0.00 173 L 8.29 3.90 0.00 1.83 1.71 0.90 0.53 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 0.00 174 T 8.16 3.89 4.50 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 1.27 0.00 0.00 175 Q 8.17 4.12 0.00 2.10 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.79 2.91 0.00 176 A 8.07 3.99 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 0.00 177 Q 8.06 3.93 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.74 0.00 0.00 0.00 0.00 0.00 2.49 2.49 0.00 178 R 7.99 3.84 0.00 1.87 2.08 0.00 2.99 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 1.68 1.59 0.00 179 V 8.10 3.76 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 1.14 0.00 0.00 180 S 8.00 4.19 0.00 3.96 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 *181 Y 7.96 4.13 0.00 2.41 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 0.00 182 E 8.80 4.43 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 2.33 2.30 0.00 183 H 7.79 4.81 0.00 3.02 3.17 0.00 5.94 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 0.00 184 A 7.87 4.38 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 0.00 185 F 7.77 4.29 0.00 3.21 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 0.00 186 L 6.84 3.68 0.00 1.24 1.44 0.61 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 187 G 7.59 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 S 7.45 4.21 0.00 2.88 3.55 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.25 4.35 0.00 1.71 1.74 1.04 0.72 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 0.00 190 I 7.50 2.84 1.58 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.43 0.39 0.00 0.00 *196 A 7.60 4.31 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 0.00 197 A 7.78 4.11 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 0.00 198 A 7.87 3.93 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 0.00 199 K 7.53 3.85 0.00 1.92 1.81 0.00 1.61 0.00 0.00 1.47 0.00 0.00 2.80 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.54 7.81 200 E 7.93 4.02 0.00 2.13 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 2.28 2.29 0.00 201 L 7.70 4.00 0.00 1.69 1.66 0.92 0.78 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 0.00 202 V 7.51 3.71 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 0.87 0.00 0.00 0.83 0.00 0.00 203 S 8.00 4.22 0.00 4.07 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 0.00 204 G 7.98 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 0.00 0.00 0.00 205 L 7.77 3.97 0.00 1.71 1.85 0.85 1.15 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 0.00 206 I 7.86 3.71 1.99 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 1.44 0.86 0.88 0.00 0.00 207 A 8.39 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 0.00 208 G 8.01 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 0.00 0.00 0.00 209 L 7.91 3.97 0.00 1.88 1.71 1.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 210 A 8.00 3.99 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 0.00 211 E 8.42 3.91 0.00 2.24 2.12 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 2.31 2.40 0.00 212 K 8.05 4.06 0.00 1.96 1.84 0.00 1.80 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.64 7.81 213 H 8.11 4.08 0.00 3.09 3.58 0.00 5.95 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 214 S 7.86 4.19 0.00 3.97 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 0.00 215 K 7.99 4.13 0.00 2.00 1.96 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.44 1.36 7.81 216 R 7.83 4.38 0.00 2.11 2.07 0.00 3.19 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.86 0.00 *218 T 7.84 4.64 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 1.22 0.00 0.00 219 Q 7.93 4.12 0.00 2.24 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 7.01 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 220 L 7.54 4.38 0.00 1.69 1.67 0.85 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 221 G 8.15 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 0.00 222 L 7.74 4.63 0.00 1.73 1.60 0.97 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 223 T 8.30 4.21 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 * Residues marked with a * may have inaccurate shift predictions.