NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 L 4.2218 8.1849 120.6352 53.6382 43.3097 176.2005 8 P 4.3342 0.0000 0.0000 60.9592 32.0008 173.1337 9 P 4.3027 0.0000 0.0000 65.2882 32.2885 176.7976 10 G 3.6047 9.1704 111.6961 44.3927 0.0000 172.1711 11 W 5.3313 7.6603 119.8165 55.6967 30.2949 175.7361 12 E 4.9673 9.4877 121.2008 54.4870 32.9784 174.4214 13 K 4.3949 8.7306 122.0421 55.9904 33.4679 175.3570 14 A 4.5570 8.1659 126.8323 50.6780 23.3410 174.0854 15 M 4.8177 8.2463 118.5369 53.7076 34.3626 175.6401 16 S 4.4370 9.4640 121.4985 58.4537 63.3050 175.3571 17 R 4.0182 8.8199 125.7652 59.3478 30.2579 178.1959 18 S 4.4360 8.1516 112.3643 60.5995 63.5169 175.2533 19 S 4.3718 8.3689 114.8940 58.5090 63.3902 175.8265 20 G 3.9924 8.1284 105.8379 45.2958 0.0000 173.5009 21 R 4.2396 7.6461 120.7918 55.7754 31.3842 175.8495 22 V 4.3717 8.5240 125.7806 63.7629 32.5514 174.1980 23 Y 5.0084 8.4993 123.8680 56.2803 42.2752 172.6340 24 Y 5.0947 9.3248 116.0364 56.2173 41.7100 174.9453 25 F 5.6304 9.6734 125.4146 56.4444 43.3059 172.9387 26 N 4.4953 7.7802 124.7190 51.6692 40.1894 174.3310 27 H 4.0873 8.1686 121.6852 56.5846 28.8804 176.4842 28 I 3.9278 7.7046 120.7040 63.3230 37.7179 176.7685 29 T 4.0968 7.4289 107.8639 60.6574 69.5438 175.0711 30 N 3.9793 7.8685 118.4966 53.8427 37.1169 173.6782 31 A 4.3901 7.2773 120.7643 52.0341 19.7580 177.4533 32 S 5.6090 8.5573 113.7874 57.0173 66.2252 173.2275 33 Q 4.5619 9.3216 119.6975 54.7255 31.8015 175.9794 34 W 4.4679 8.8529 120.8350 59.9967 29.5205 177.4035 35 E 4.2172 8.1912 116.5670 55.7675 29.5399 176.7364 36 R 2.5100 8.1557 123.4400 54.8258 30.6115 174.3015 37 P 3.8410 0.0000 0.0000 62.7020 31.3052 175.3252 38 S 4.1947 8.1179 118.7104 59.8574 63.2203 174.3569 39 G 3.6681 7.3906 109.1624 44.8029 0.0000 172.2324 *51 E 4.1014 8.3622 120.3409 54.9302 30.4980 174.0814 52 P 4.5476 0.0000 0.0000 62.2584 32.2870 176.2884 53 A 4.2419 8.5443 121.9881 54.7452 18.7114 177.7600 54 R 5.1533 7.6956 112.2642 54.7850 34.3006 175.2367 55 V 4.3332 7.8054 114.3004 59.3568 36.2916 174.2813 56 R 4.9211 8.3165 122.3900 54.0268 32.5553 174.4993 57 C 5.3850 8.7291 121.8233 58.3068 33.0067 173.0442 58 S 5.5771 8.9634 117.4844 57.5936 65.9445 172.6115 59 H 5.8513 9.5073 116.1978 54.5655 32.7157 171.7914 60 L 4.7492 9.2218 120.6168 53.1224 45.0584 174.5835 61 L 5.0115 8.6404 128.1666 53.1879 44.9007 174.8844 62 V 4.7053 8.8733 126.6226 61.1925 33.3799 175.3194 63 K 4.7311 8.9912 128.2105 56.1019 33.7055 175.4225 64 H 4.9485 8.7070 116.7498 53.8197 31.7145 174.3468 65 S 4.3741 9.0313 114.1119 61.1596 62.4887 175.2472 66 Q 4.4372 8.1293 117.1768 55.5216 29.1316 175.8884 67 S 4.3461 7.8557 115.2590 58.5445 63.5557 174.4767 68 R 3.9508 8.9581 124.1243 58.9300 29.7601 176.8461 69 R 4.4087 7.5625 118.6019 53.6141 31.1520 173.4777 70 P 4.6203 0.0000 0.0000 60.6580 30.1838 176.0890 71 S 4.8341 7.3304 111.4553 58.1571 65.7084 172.8132 72 S 4.6438 8.7495 120.3094 56.7071 65.8760 174.9136 73 W 4.2784 8.8195 116.9251 59.5488 27.7410 177.6897 74 R 3.4910 6.6244 117.1190 58.0846 29.7696 176.8705 75 Q 4.3197 7.6488 119.3732 54.3901 31.9044 174.5157 76 E 3.7812 9.0797 126.9658 58.2246 29.8838 176.3082 77 K 4.3764 7.7589 119.6150 54.3389 33.5109 174.9549 78 I 4.2677 8.7468 129.2837 60.9077 37.3886 176.1319 79 T 4.5287 8.2870 114.3323 60.8769 70.5882 174.6676 80 R 4.1683 7.8223 119.6371 56.5711 30.0097 176.1962 81 T 4.4032 8.6483 110.5455 61.0172 71.1288 175.5138 82 K 3.6110 8.6215 122.9410 60.1383 32.0146 178.4658 83 E 3.9786 8.1240 118.6395 59.3000 29.6241 178.4706 84 E 4.1476 8.2821 118.5342 59.0095 29.4471 179.0298 85 A 3.9534 8.3222 121.3849 54.9974 18.3685 179.4057 86 L 3.8339 8.0507 118.8464 58.2013 42.1846 178.8726 87 E 3.8766 8.1377 118.5005 59.4310 29.4556 179.2534 88 L 3.4713 7.6915 118.6051 57.7937 41.6216 179.4927 89 I 3.7160 7.7790 119.8092 64.7456 37.0887 178.2664 90 N 4.4419 8.4532 117.5210 56.1814 38.3175 177.7649 91 G 3.4877 7.9359 107.1706 47.9582 0.0000 175.4513 92 Y 4.4181 7.5962 119.0898 60.8668 37.8921 178.4148 93 I 3.8303 8.2576 121.2274 64.4964 37.2406 178.4463 94 Q 4.0398 8.1684 118.7761 59.1028 28.6206 179.1728 95 K 4.1008 8.1688 119.4202 59.4354 31.8976 179.6241 96 I 4.4282 8.0138 121.6219 63.9179 36.8761 178.6606 97 K 4.1339 8.5005 118.9784 59.1866 31.9412 179.1477 98 S 4.4161 8.1925 113.5777 59.1711 63.2283 175.4602 99 G 3.9589 7.6464 109.9187 45.5847 0.0000 174.0523 100 E 4.1280 7.9411 121.9645 58.1468 30.1334 176.7853 101 E 4.8299 8.4190 116.8320 53.7783 33.8238 174.2617 102 D 5.1572 8.2512 120.5086 51.7197 42.8402 177.0605 103 F 3.8944 8.8537 122.7639 61.9945 39.2529 177.4942 104 E 4.0587 8.4120 117.2838 59.4041 29.3891 179.2529 105 S 4.0162 8.1994 113.0057 61.3889 62.4930 176.2660 106 L 3.9018 7.7204 121.2054 57.4165 41.2382 179.3957 107 A 3.7220 7.8813 121.2052 55.1353 18.1879 179.7265 108 S 4.2130 7.9927 113.6988 61.9740 62.6534 177.0940 109 Q 3.9287 7.4726 118.9525 57.8086 28.5511 176.9461 110 F 4.9783 7.7340 114.6389 56.8493 40.9778 175.5354 111 S 4.4119 8.1802 116.5370 58.4582 62.5528 173.1825 112 D 4.5461 9.1261 127.1043 54.5467 40.7345 175.7054 113 C 4.8480 7.7857 120.2241 57.6468 33.4391 174.7326 114 S 4.2055 8.6081 119.6452 60.9994 62.6007 176.2373 115 S 4.2402 8.1889 116.9379 59.9572 62.7040 175.4790 116 A 3.9736 8.1058 125.9277 55.4798 17.8582 179.3094 117 K 3.9454 7.4773 114.7609 58.2979 32.9821 177.9932 118 A 4.6510 7.5318 122.0709 51.6059 20.0520 176.8106 119 R 3.5496 8.1602 116.2524 58.0056 28.3402 177.8858 120 G 4.1533 8.4519 105.1712 46.4210 0.0000 173.4281 121 D 4.9443 7.7741 119.6133 53.6685 41.3934 175.9471 122 L 4.3209 8.9083 126.3505 54.2991 42.3091 177.7841 123 G 3.8069 8.5070 108.0451 44.4095 0.0000 171.9257 124 A 4.7464 8.2857 119.8630 51.1333 20.1965 177.1722 125 F 5.1380 8.2919 114.9489 55.7411 41.9048 174.0219 126 S 5.3935 9.6446 116.7311 56.3470 64.6035 174.5302 127 R 4.0168 8.2926 120.2323 58.0016 30.1463 177.4959 128 G 4.0463 9.5966 110.0814 45.4787 0.0000 173.8775 129 Q 4.4281 8.0242 117.6716 56.6045 30.9506 175.7734 130 M 4.3409 7.6102 115.2068 53.1721 34.2125 176.0598 131 Q 4.0310 8.2800 118.5603 56.3607 30.4150 177.9007 132 K 3.8840 8.8133 124.9732 59.6419 32.2301 177.3722 133 P 4.3848 0.0000 0.0000 65.2131 31.2179 178.4687 134 F 3.7817 8.1974 119.2969 61.0979 39.4017 176.5883 135 E 4.3188 8.7593 119.3284 59.6132 29.3825 178.4370 136 D 4.4345 8.6488 119.0787 57.3865 40.9951 178.6971 137 A 3.9028 7.9720 121.1613 55.2692 18.1461 179.7508 138 S 3.9680 7.9071 112.5201 61.8141 63.0698 176.6163 139 F 4.0373 8.4235 117.9260 58.9577 38.9489 176.9371 140 A 4.3343 7.4839 119.3452 52.2573 19.3032 177.6236 141 L 4.3066 7.0204 117.0927 54.4747 42.5461 177.3449 142 R 4.2421 8.9977 121.4947 55.5360 30.9268 176.4685 143 T 3.8870 8.2475 116.9742 65.6837 68.7084 174.6483 144 G 3.9398 9.2212 115.5957 44.8550 0.0000 172.9532 145 E 4.4880 8.0823 121.0252 55.3680 31.3614 174.5299 146 M 5.1971 8.4535 125.0304 53.7428 34.6466 175.4841 147 S 4.3985 9.1507 120.8042 57.7115 64.8440 174.0741 148 G 4.1199 8.0666 108.6778 43.7310 0.0000 171.1058 149 P 4.5312 0.0000 0.0000 62.6555 32.1519 176.2635 150 V 4.5265 8.6787 124.1922 61.1486 34.3071 173.9395 151 F 5.3243 9.3120 126.8039 56.3674 40.6287 175.1803 152 T 4.8809 8.9563 112.8589 59.8163 72.1303 174.2393 153 D 4.5183 8.6181 119.5016 57.0468 41.0044 179.1982 154 S 4.3880 8.1881 115.4089 59.4846 64.0331 175.0208 155 G 3.9959 6.2989 109.8498 45.6119 0.0000 171.9957 156 I 4.7122 8.4623 125.6889 59.5852 40.2257 174.2724 157 H 5.5561 9.3380 123.2810 54.1245 32.5897 172.6973 158 I 4.8313 8.7964 122.3654 59.7392 39.6808 174.6268 159 I 4.9992 8.8328 127.7560 59.3053 40.3349 174.2295 160 L 4.7227 8.6296 128.7603 53.0355 44.4861 175.0418 161 R 4.5949 8.6581 128.2354 56.2211 30.6126 176.4950 162 T 4.6384 8.9574 116.3728 61.8727 70.7989 174.5403 163 E 4.1610 7.6647 126.9829 56.8699 30.6009 174.6349 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 7 L 8.18 4.22 0.00 1.80 1.70 1.13 0.58 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 8 P 0.00 4.33 0.00 2.45 2.07 0.00 3.47 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.13 0.00 9 P 0.00 4.30 0.00 2.05 2.05 0.00 3.73 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.15 0.00 10 G 9.17 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 W 7.66 5.33 0.00 3.36 3.20 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 12 E 9.49 4.97 0.00 2.07 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 2.55 2.29 0.00 13 K 8.73 4.39 0.00 1.80 1.68 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.15 0.83 7.81 14 A 8.17 4.56 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.25 4.82 0.00 2.06 1.95 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 2.71 2.59 0.00 16 S 9.46 4.44 0.00 4.17 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 0.00 17 R 8.82 4.02 0.00 1.84 1.99 0.00 3.42 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 18 S 8.15 4.44 0.00 3.93 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 19 S 8.37 4.37 0.00 4.07 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 0.00 20 G 8.13 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 21 R 7.65 4.24 0.00 1.88 2.00 0.00 3.02 0.00 0.00 3.08 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.63 0.00 22 V 8.52 4.37 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 0.57 0.00 0.00 0.93 0.00 0.00 23 Y 8.50 5.01 0.00 2.98 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 24 Y 9.32 5.09 0.00 2.93 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 25 F 9.67 5.63 0.00 3.16 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 26 N 7.78 4.50 0.00 1.44 1.45 0.00 0.00 6.75 7.53 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 27 H 8.17 4.09 0.00 3.26 3.46 0.00 5.60 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 I 7.70 3.93 1.71 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.17 0.87 0.00 0.00 29 T 7.43 4.10 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 1.02 0.00 0.00 30 N 7.87 3.98 0.00 3.08 3.05 0.00 0.00 6.76 6.89 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 31 A 7.28 4.39 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 32 S 8.56 5.61 0.00 3.94 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 33 Q 9.32 4.56 0.00 2.36 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.86 0.00 0.00 0.00 0.00 0.00 2.41 2.54 0.00 34 W 8.85 4.47 0.00 3.44 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 35 E 8.19 4.22 0.00 1.90 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 36 R 8.16 2.51 0.00 1.07 1.49 0.00 3.08 0.00 0.00 3.11 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.79 0.00 37 P 0.00 3.84 0.00 1.37 0.74 0.00 2.58 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.44 0.00 38 S 8.12 4.19 0.00 3.72 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 39 G 7.39 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *51 E 8.36 4.10 0.00 2.02 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 2.39 2.52 0.00 52 P 0.00 4.55 0.00 2.40 2.04 0.00 3.99 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 2.01 1.92 0.00 53 A 8.54 4.24 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 54 R 7.70 5.15 0.00 1.61 1.69 0.00 3.17 0.00 0.00 3.22 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.68 0.00 55 V 7.81 4.33 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 -0.36 0.00 0.00 56 R 8.32 4.92 0.00 1.74 1.65 0.00 3.05 0.00 0.00 3.24 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.41 0.00 57 C 8.73 5.38 0.00 3.34 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 58 S 8.96 5.58 0.00 3.69 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 59 H 9.51 5.85 0.00 3.65 3.78 0.00 5.22 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 9.22 4.75 0.00 1.40 1.51 0.48 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.64 5.01 0.00 1.72 1.43 0.78 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 62 V 8.87 4.71 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 1.01 0.00 0.00 1.08 0.00 0.00 63 K 8.99 4.73 0.00 1.63 1.65 0.00 1.75 0.00 0.00 1.86 0.00 0.00 2.97 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.63 1.34 7.81 64 H 8.71 4.95 0.00 3.40 3.40 0.00 5.47 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 S 9.03 4.37 0.00 3.97 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 66 Q 8.13 4.44 0.00 2.20 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.97 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 67 S 7.86 4.35 0.00 3.81 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 R 8.96 3.95 0.00 1.88 1.97 0.00 3.21 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 69 R 7.56 4.41 0.00 1.75 1.79 0.00 3.29 0.00 0.00 3.28 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 70 P 0.00 4.62 0.00 2.24 2.19 0.00 3.77 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.94 0.00 71 S 7.33 4.83 0.00 3.80 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 72 S 8.75 4.64 0.00 3.95 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 73 W 8.82 4.28 0.00 3.54 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 74 R 6.62 3.49 0.00 1.38 1.46 0.00 2.77 0.00 0.00 2.98 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 75 Q 7.65 4.32 0.00 1.86 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.80 0.00 0.00 0.00 0.00 0.00 2.20 2.23 0.00 76 E 9.08 3.78 0.00 1.96 1.95 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 2.29 2.30 0.00 77 K 7.76 4.38 0.00 1.70 1.65 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.28 1.40 7.81 78 I 8.75 4.27 1.86 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.61 0.88 0.00 0.00 79 T 8.29 4.53 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 1.26 0.00 0.00 80 R 7.82 4.17 0.00 2.09 2.09 0.00 3.08 0.00 0.00 3.36 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 81 T 8.65 4.40 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 1.21 0.00 0.00 82 K 8.62 3.61 0.00 1.58 1.82 0.00 1.75 0.00 0.00 1.93 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.59 1.38 7.81 83 E 8.12 3.98 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 2.36 2.40 0.00 84 E 8.28 4.15 0.00 2.21 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 2.29 2.30 0.00 85 A 8.32 3.95 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 86 L 8.05 3.83 0.00 1.85 1.86 1.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 87 E 8.14 3.88 0.00 2.15 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 88 L 7.69 3.47 0.00 1.70 1.29 0.84 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 89 I 7.78 3.72 1.92 0.00 0.00 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 1.61 0.88 0.90 0.00 0.00 90 N 8.45 4.44 0.00 2.85 2.83 0.00 0.00 6.96 7.46 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 91 G 7.94 3.49 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 0.00 92 Y 7.60 4.42 0.00 3.18 2.97 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 93 I 8.26 3.83 2.07 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.74 0.97 0.00 0.00 94 Q 8.17 4.04 0.00 2.29 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.64 0.00 95 K 8.17 4.10 0.00 2.06 1.95 0.00 1.77 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.52 1.54 7.81 96 I 8.01 4.43 2.12 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 2.68 1.06 0.00 0.00 97 K 8.50 4.13 0.00 1.83 1.94 0.00 1.75 0.00 0.00 1.82 0.00 0.00 3.14 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.55 1.62 7.81 98 S 8.19 4.42 0.00 4.08 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 G 7.65 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 0.00 100 E 7.94 4.13 0.00 1.93 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.32 0.00 101 E 8.42 4.83 0.00 2.05 1.81 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 2.28 2.45 0.00 102 D 8.25 5.16 0.00 3.11 2.83 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 0.00 103 F 8.85 3.89 0.00 3.26 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 0.00 104 E 8.41 4.06 0.00 2.16 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 2.49 2.65 0.00 105 S 8.20 4.02 0.00 3.90 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 L 7.72 3.90 0.00 1.58 1.31 0.97 0.66 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 0.00 107 A 7.88 3.72 1.05 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 0.00 0.00 108 S 7.99 4.21 0.00 3.89 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 0.00 109 Q 7.47 3.93 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.69 0.00 0.00 0.00 0.00 0.00 2.06 2.26 0.00 110 F 7.73 4.98 0.00 2.70 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 0.00 111 S 8.18 4.41 0.00 3.81 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 0.00 112 D 9.13 4.55 0.00 2.73 2.61 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 0.00 113 C 7.79 4.85 0.00 3.00 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 S 8.61 4.21 0.00 4.06 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 0.00 115 S 8.19 4.24 0.00 4.15 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 0.00 116 A 8.11 3.97 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 0.00 117 K 7.48 3.95 0.00 1.65 1.57 0.00 1.45 0.00 0.00 1.49 0.00 0.00 3.06 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.33 7.81 118 A 7.53 4.65 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 0.00 119 R 8.16 3.55 0.00 2.04 2.09 0.00 3.16 0.00 0.00 3.08 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.50 0.00 120 G 8.45 4.15 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 0.00 0.00 0.00 121 D 7.77 4.94 0.00 2.71 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 0.00 122 L 8.91 4.32 0.00 1.96 1.72 0.69 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 123 G 8.51 3.81 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 0.00 0.00 0.00 124 A 8.29 4.75 1.18 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 0.00 125 F 8.29 5.14 0.00 3.33 3.20 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 0.00 126 S 9.64 5.39 0.00 4.00 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 0.00 127 R 8.29 4.02 0.00 1.57 1.70 0.00 2.87 0.00 0.00 3.14 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.50 0.00 128 G 9.60 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 0.00 0.00 0.00 129 Q 8.02 4.43 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.70 6.79 0.00 0.00 0.00 0.00 0.00 2.31 2.56 0.00 130 M 7.61 4.34 0.00 1.69 1.95 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.87 0.00 131 Q 8.28 4.03 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.84 0.00 0.00 0.00 0.00 0.00 2.43 2.36 0.00 132 K 8.81 3.88 0.00 1.89 1.86 0.00 1.64 0.00 0.00 1.83 0.00 0.00 3.06 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.53 1.65 7.81 133 P 0.00 4.38 0.00 2.40 2.16 0.00 3.74 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 2.20 2.19 0.00 134 F 8.20 3.78 0.00 3.08 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.76 4.32 0.00 2.24 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 0.00 2.48 2.71 0.00 136 D 8.65 4.43 0.00 2.79 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 0.00 137 A 7.97 3.90 1.23 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 0.00 138 S 7.91 3.97 0.00 4.28 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 0.00 139 F 8.42 4.04 0.00 3.18 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 0.00 140 A 7.48 4.33 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 0.00 141 L 7.02 4.31 0.00 1.71 1.55 0.87 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 142 R 9.00 4.24 0.00 1.97 1.84 0.00 3.14 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 143 T 8.25 3.89 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 1.20 0.00 0.00 144 G 9.22 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 0.00 0.00 0.00 145 E 8.08 4.49 0.00 2.09 1.95 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 2.30 2.32 0.00 146 M 8.45 5.20 0.00 2.07 1.88 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.56 0.00 147 S 9.15 4.40 0.00 3.97 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 0.00 148 G 8.07 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 P 0.00 4.53 0.00 2.01 1.88 0.00 3.72 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.17 0.00 150 V 8.68 4.53 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 1.02 0.00 0.00 0.91 0.00 0.00 151 F 9.31 5.32 0.00 2.96 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 0.00 152 T 8.96 4.88 4.35 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 1.37 0.00 0.00 153 D 8.62 4.52 0.00 2.77 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 0.00 154 S 8.19 4.39 0.00 3.98 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 0.00 155 G 6.30 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 0.00 156 I 8.46 4.71 1.70 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.56 0.33 0.00 0.00 157 H 9.34 5.56 0.00 3.05 3.37 0.00 5.58 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 I 8.80 4.83 2.14 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.86 1.15 0.00 0.00 159 I 8.83 5.00 1.68 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.80 0.70 0.00 0.00 160 L 8.63 4.72 0.00 0.57 0.73 0.80 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 161 R 8.66 4.59 0.00 1.82 1.84 0.00 3.07 0.00 0.00 3.24 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.54 0.00 162 T 8.96 4.64 4.19 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 1.12 0.00 0.00 163 E 7.66 4.16 0.00 1.90 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 2.26 2.25 0.00 * Residues marked with a * may have inaccurate shift predictions.