NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 23 Q 4.3456 8.3293 118.8312 55.8575 29.9686 174.0687 24 R 4.1726 8.3061 116.1173 55.1802 30.5881 174.7633 25 G 4.2009 8.4710 109.8074 45.9718 0.0000 173.1857 26 L 4.5995 7.9415 119.0216 55.4042 43.9089 173.2069 27 T 5.0556 8.6322 115.6865 61.8180 71.7507 173.5309 28 I 4.6592 9.0945 127.4030 59.4942 39.5337 174.7462 29 W 5.0620 8.7852 135.0000 54.9474 31.3498 174.8197 30 L 4.9869 8.3716 128.5279 54.3868 42.8497 176.1730 31 T 5.2893 9.2664 116.5858 58.7227 71.6862 173.3898 32 G 4.4136 8.0618 116.1875 44.3273 0.0000 171.8380 33 L 4.1700 7.1742 119.2511 54.0624 42.1769 177.0907 34 S 4.1606 8.3056 114.9243 59.8689 62.6650 173.8988 35 A 3.8366 8.8003 128.1088 53.0731 15.7282 178.6424 36 S 4.2128 7.9132 112.9762 60.5579 63.6488 175.2739 37 G 4.0769 8.3465 110.1664 45.5597 0.0000 175.4101 38 K 3.8363 8.2808 120.6537 59.4466 31.9363 179.0537 39 S 3.9415 7.8649 112.7099 61.5752 62.4810 176.0616 40 T 3.8058 7.7659 117.9934 66.5971 68.1931 176.4694 41 L 3.9556 8.0550 120.6931 57.6392 41.5433 179.3705 42 A 3.9124 8.1670 121.1782 55.0119 18.2552 179.8775 43 V 3.3373 7.9463 117.0377 66.1083 31.5815 177.9596 44 E 3.9337 7.9966 118.7440 59.0056 29.3666 178.4603 45 L 3.9061 8.2783 120.9357 57.9988 41.6688 178.4953 46 E 3.8675 8.3652 119.5327 59.6972 29.5035 178.3517 47 H 4.2670 8.1454 116.1132 59.2751 28.9188 177.8645 48 Q 4.0099 8.3433 119.7256 58.7524 28.5225 178.7528 49 L 3.9953 8.1981 120.3402 57.7330 41.2344 179.7789 50 V 4.0761 8.0677 119.7579 65.5883 31.3805 178.3835 51 R 3.9345 7.9846 116.4578 59.5675 30.1610 177.9904 52 D 4.5059 7.8719 116.6481 56.4112 41.0597 177.6061 53 R 4.3639 8.0485 117.0603 55.6880 31.0571 176.5891 *54 R 3.8491 7.4628 114.5810 57.3039 27.4526 181.5348 55 V 4.5317 7.6124 111.1830 60.7249 35.2728 174.6664 56 H 5.1132 9.5827 118.9737 55.1901 30.1085 174.8163 57 A 5.2557 8.4724 122.6997 51.0088 22.4349 174.7062 58 Y 4.9463 8.8488 120.2651 55.4072 42.8018 173.9010 59 R 4.6642 7.5193 124.5782 54.6579 32.0499 175.4457 60 L 4.8003 8.7393 124.4599 53.1572 44.3109 175.5258 61 D 3.8028 9.6182 123.1800 50.9129 42.9116 176.1477 62 G 3.8633 8.5361 103.8296 48.4321 0.0000 175.3803 63 D 4.3577 8.2383 120.0769 56.3169 41.0197 177.3692 64 N 4.8796 8.1968 114.0376 52.8102 38.2206 175.1167 65 I 4.3904 7.8057 121.5859 63.3607 39.2928 177.8061 66 R 4.1081 8.4380 117.7792 57.6722 30.0875 177.6534 67 F 4.8035 8.5378 115.1874 56.9143 41.5649 175.4855 68 G 3.9889 8.2566 107.4005 45.5194 0.0000 174.5619 69 L 3.9430 9.6054 120.7756 58.0039 42.8869 177.0756 70 N 5.1992 8.5752 114.4845 51.9868 38.8652 177.1135 71 K 4.5338 8.1389 119.6971 58.8807 32.9329 177.3340 72 D 4.5575 8.0449 118.0187 53.7813 39.9632 175.4214 73 L 4.9868 7.7121 120.3001 53.1169 44.8074 176.9499 74 G 4.0257 8.8814 110.9281 46.1666 0.0000 174.4279 75 F 4.7413 8.6982 124.3212 56.7325 39.9820 175.9475 76 S 4.4278 7.8848 116.8883 57.9842 64.6420 174.5027 77 E 4.0393 8.8274 122.6469 59.7127 29.3702 178.8929 78 A 3.9233 7.9591 120.0603 55.4007 18.4147 179.2147 79 D 4.3121 8.3285 117.3032 57.3442 40.8258 179.2258 80 R 4.0037 8.2863 119.1420 58.9979 30.0021 178.6365 81 N 4.9278 8.3727 118.0074 55.9697 38.5575 177.0978 82 E 3.8989 8.2922 120.5918 58.8983 29.6726 178.1785 83 N 4.1722 8.4740 117.6765 56.9402 38.9759 176.9991 84 I 3.8357 7.9122 121.0884 64.1036 37.2579 178.2988 85 R 3.8929 8.2283 119.8521 59.7083 29.8576 178.8485 86 R 3.9582 8.1365 117.6808 59.3267 30.0714 179.1327 87 I 3.6906 7.9289 119.4291 64.3335 37.0301 178.3715 88 A 4.5609 8.6542 122.0145 55.3594 18.2136 179.5611 89 E 3.9771 8.2884 117.0392 59.5238 29.5226 179.8030 90 V 3.7174 8.2776 118.3232 65.9312 31.5786 177.9407 91 A 4.3059 8.8469 121.0861 55.1640 18.2713 179.4809 92 K 3.9217 8.4964 118.2131 59.5869 32.2427 179.0194 93 L 3.9771 7.9560 119.2785 57.8739 41.5369 179.5334 94 F 3.8864 8.5407 117.4667 60.4178 38.8992 177.6256 95 A 4.6964 8.6241 122.2269 54.8462 17.9936 179.1591 96 D 4.3693 8.5283 116.2021 57.2204 41.3560 177.8507 97 S 4.3164 7.7467 112.1118 58.6055 63.2821 173.9227 98 N 4.5168 8.1562 118.9111 54.3711 36.2713 173.6915 99 S 4.9459 8.0255 111.8477 56.6597 66.2173 172.5773 100 I 4.8254 8.5188 124.0630 60.0174 38.5068 174.9063 101 A 4.8329 9.0216 130.3243 51.0917 20.5655 175.8129 102 I 4.8605 8.6678 123.9690 59.6681 39.9422 174.7390 103 T 4.7967 8.6194 117.9513 60.0353 71.2766 173.9075 104 S 4.7980 7.8295 119.7589 56.2047 62.7407 172.7852 105 F 4.6593 8.0197 120.5850 55.1662 43.0021 175.6274 106 I 4.1954 9.2943 123.0971 63.0063 37.7620 175.8985 107 S 4.1148 8.2680 112.0509 59.0308 61.3329 170.0492 108 P 4.0851 0.0000 0.0000 64.9404 32.5458 176.1796 109 Y 4.9867 7.5285 118.2038 56.3453 39.5780 176.1049 110 R 3.8351 9.1233 126.1122 59.3173 30.1758 178.4693 111 K 3.8516 8.0532 119.0004 59.5903 32.3250 178.3370 112 D 4.3165 8.0381 118.7067 57.1240 40.8040 178.7733 113 R 3.5690 7.8691 118.3797 59.0523 29.9266 178.7800 114 D 4.1028 8.2594 119.1161 57.3846 40.7157 178.8878 115 T 3.7012 7.9872 116.3183 66.3652 68.2575 176.5273 116 A 3.7395 7.5594 122.6532 54.8857 18.2789 179.6082 117 R 2.5100 7.0422 117.2067 59.1557 29.9816 178.7467 118 Q 3.9139 7.9502 118.0813 58.8335 28.4240 178.5610 119 L 3.8627 7.7065 120.5258 58.2709 42.3222 178.5905 120 H 4.3802 7.8206 116.0239 58.8736 28.4193 177.6438 121 E 4.3602 8.5794 120.6050 57.7176 29.1151 177.2850 122 V 3.9399 7.6117 119.5521 62.3514 31.9830 175.1017 123 A 4.0174 9.2246 131.4305 55.9062 18.0772 176.8839 124 T 3.2627 7.8080 98.4900 63.8378 69.0687 171.8078 *129 T 4.0367 7.5087 115.6697 61.9632 68.2411 173.1424 130 G 4.1602 8.1338 112.9871 43.5713 0.0000 172.3818 131 L 4.8948 8.3184 118.7862 52.0009 44.4198 175.5635 132 P 4.4948 0.0000 0.0000 62.7163 32.7890 175.2155 133 F 5.0189 8.8195 124.6551 56.6813 41.9748 174.4415 134 V 4.2487 8.6515 128.5927 61.2281 32.9375 173.9142 135 E 4.7107 9.5047 131.0799 55.4116 31.0766 175.0810 136 V 4.5581 9.0226 127.9819 61.3086 33.9660 173.9753 137 Y 5.0679 9.1584 131.6003 57.1665 39.6347 174.7932 138 V 4.1807 9.2057 129.7280 61.8955 32.4226 173.6622 139 D 4.5699 8.7941 128.9850 52.3449 42.5571 175.3586 140 V 4.8798 8.0305 118.2471 58.7747 35.9472 174.0155 141 P 4.3242 0.0000 0.0000 62.1234 32.1574 177.9887 142 V 3.5476 8.4349 122.1816 65.0306 30.8229 178.5258 143 E 4.3555 7.8651 118.1348 58.3961 29.7543 178.9962 144 V 3.5845 7.5535 119.2810 65.8237 31.6359 177.8375 145 A 3.9570 7.7543 119.9977 55.2233 18.0461 179.2963 146 E 3.6396 8.2448 117.2712 58.9687 29.2335 178.7657 147 Q 4.2046 7.4501 115.4015 56.8993 29.3243 177.1813 148 R 3.9143 7.7046 116.8153 58.9899 31.4571 177.1995 149 D 4.4542 8.7602 116.4038 54.1777 39.7762 173.1317 150 P 4.2403 0.0000 0.0000 65.4996 31.1058 177.7206 151 K 4.3531 8.0846 115.5117 55.4228 32.6912 176.9750 152 G 3.9432 8.3514 106.8040 46.5781 0.0000 176.2640 153 L 3.7365 7.3377 122.8662 57.4828 41.3014 179.0396 154 Y 3.5295 8.5347 117.2435 60.6153 37.7796 178.3989 155 K 3.9098 8.2065 120.4096 59.4596 32.3142 178.9879 156 K 3.8784 7.8793 118.5165 59.3506 31.9056 179.2008 157 A 4.2416 7.7874 122.6328 54.7469 18.0481 179.9689 158 R 3.9602 8.0940 115.8367 58.9370 30.2049 178.2466 159 E 4.3330 8.0102 116.0640 56.1578 29.8526 177.4337 160 G 3.9340 7.8077 107.5217 45.4935 0.0000 174.9206 161 V 3.6774 7.8680 120.5233 64.6531 31.8066 176.3577 162 I 4.3993 7.4532 120.7252 59.2566 38.7800 175.2971 163 K 4.2404 8.5815 124.6508 56.1431 33.6525 176.2720 164 E 4.1241 8.4144 117.4995 56.2485 26.9699 175.1805 165 F 4.4449 8.5509 121.2452 56.2715 40.9392 174.8933 166 T 4.0619 7.6926 124.4282 65.7403 68.4927 174.1279 167 G 4.2038 9.4229 115.6830 45.2172 0.0000 173.6163 168 I 4.4932 7.8921 117.2353 62.6307 39.3952 176.8319 169 S 4.9231 8.8904 112.3056 57.6152 64.9107 172.8310 170 A 5.0184 7.8961 120.4351 50.5074 22.4526 174.7852 171 P 4.8066 0.0000 0.0000 62.7376 32.9752 175.1390 172 Y 4.3637 8.2592 120.8385 56.0514 41.3493 174.4395 173 E 4.3181 8.1293 127.8680 54.3616 29.9925 176.0833 174 A 3.8595 8.1921 126.8689 50.6009 19.3339 175.3172 175 P 4.1498 0.0000 0.0000 62.4951 32.1652 176.7415 176 A 4.1321 8.4765 124.3777 55.0764 19.0623 178.0521 177 N 5.0637 7.5498 111.2152 51.3044 39.6916 172.4272 178 P 4.5208 0.0000 0.0000 62.3833 32.8084 177.4173 179 E 3.9528 8.6904 119.8394 58.8052 30.1031 177.6098 180 V 4.3329 7.9048 118.4452 61.0870 35.2626 174.0910 181 H 5.2452 8.9660 126.8064 54.6488 31.9039 172.7856 182 V 4.0027 8.7455 127.8402 61.3271 32.9381 175.1624 183 K 4.2397 8.2900 128.9570 54.8014 30.7042 176.6616 184 N 4.7176 8.1001 130.3335 52.9805 37.4936 174.1923 185 Y 4.7726 6.3594 115.3211 56.4579 41.7461 175.0026 186 E 3.7696 8.9794 120.1061 57.2120 27.3191 175.2955 187 L 4.5522 7.5012 117.7306 52.4073 45.1888 173.7837 188 P 4.3796 0.0000 0.0000 62.3749 32.1372 177.6633 189 V 3.6106 8.5094 122.0999 65.3732 31.0288 178.7580 190 Q 3.9617 8.0170 117.9114 58.7167 28.5571 178.3294 191 D 4.3171 8.0763 119.9824 57.0499 40.7007 178.5986 192 A 3.9117 7.8325 120.8993 55.2288 18.4398 179.7507 193 V 3.5525 8.0442 117.0346 65.8779 31.5449 178.1131 194 K 3.9433 8.2777 119.6457 59.3875 32.0885 178.5192 195 Q 3.9984 7.9785 119.9218 59.1869 28.9861 178.4713 196 I 3.8215 7.5123 120.6904 64.5951 37.1378 178.5594 197 I 3.8224 8.1880 121.0675 64.3814 36.8844 178.2085 198 D 4.3374 8.6287 120.2954 57.4265 40.1174 178.1058 199 Y 3.9920 7.9367 119.4715 60.8082 38.8231 178.1098 200 L 3.9638 8.0887 119.7150 58.1592 41.7521 179.4226 201 D 4.3347 8.3490 119.0581 57.3351 40.4949 178.8356 202 T 3.8362 7.5060 109.3987 63.7733 68.7870 175.7437 203 K 3.9506 6.7928 118.2806 54.9489 32.4657 176.5706 204 G 3.8202 7.3371 107.1197 46.8473 0.0000 174.6956 205 Y 4.6058 7.6618 118.2707 58.9397 38.3284 175.8999 206 L 4.9281 7.5126 118.8077 51.5789 44.8436 174.4177 207 P 4.3651 0.0000 0.0000 62.1830 31.9621 176.1220 208 A 3.9798 8.6636 125.3571 53.2407 18.8070 178.5186 209 K 4.2100 8.5190 120.9231 54.8899 31.8093 176.6277 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 23 Q 8.33 4.35 0.00 2.22 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.83 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 24 R 8.31 4.17 0.00 1.94 2.01 0.00 3.15 0.00 0.00 3.45 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 25 G 8.47 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 26 L 7.94 4.60 0.00 1.66 1.50 0.80 0.23 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 27 T 8.63 5.06 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 1.34 0.00 0.00 28 I 9.09 4.66 1.84 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 1.15 0.75 0.91 0.00 0.00 29 W 8.79 5.06 0.00 2.78 2.48 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 0.00 0.00 0.00 30 L 8.37 4.99 0.00 1.55 1.52 0.86 0.54 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 31 T 9.27 5.29 4.72 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 1.53 0.00 0.00 32 G 8.06 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 0.00 0.00 0.00 0.00 33 L 7.17 4.17 0.00 1.67 1.66 0.95 0.48 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 34 S 8.31 4.16 0.00 3.58 3.69 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 35 A 8.80 3.84 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 36 S 7.91 4.21 0.00 4.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 G 8.35 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.28 3.84 0.00 1.70 1.75 0.00 1.62 0.00 0.00 1.75 0.00 0.00 2.86 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.46 7.81 39 S 7.86 3.94 0.00 3.74 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 40 T 7.77 3.81 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 1.18 0.00 0.00 41 L 8.05 3.96 0.00 1.80 1.67 0.88 0.83 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 42 A 8.17 3.91 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 43 V 7.95 3.34 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 0.86 0.00 0.00 0.87 0.00 0.00 44 E 8.00 3.93 0.00 2.14 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 2.29 2.35 0.00 45 L 8.28 3.91 0.00 1.80 1.82 0.93 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.37 3.87 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 2.27 2.33 0.00 47 H 8.15 4.27 0.00 3.38 3.31 0.00 5.69 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 Q 8.34 4.01 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.68 0.00 49 L 8.20 4.00 0.00 1.84 1.74 0.94 1.13 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 50 V 8.07 4.08 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 1.43 0.00 0.00 1.09 0.00 0.00 51 R 7.98 3.93 0.00 1.94 1.97 0.00 3.17 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 1.66 1.74 0.00 52 D 7.87 4.51 0.00 3.00 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 53 R 8.05 4.36 0.00 2.00 1.96 0.00 3.69 0.00 0.00 3.27 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 *54 R 7.46 3.85 0.00 1.99 1.85 0.00 3.23 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.45 0.00 55 V 7.61 4.53 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 0.95 0.00 0.00 1.01 0.00 0.00 56 H 9.58 5.11 0.00 3.10 3.27 0.00 5.60 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.47 5.26 1.20 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 58 Y 8.85 4.95 0.00 2.94 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 0.00 0.00 0.00 59 R 7.52 4.66 0.00 1.30 1.52 0.00 3.03 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.56 0.00 60 L 8.74 4.80 0.00 1.64 1.76 1.04 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 61 D 9.62 3.80 0.00 2.33 2.40 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 62 G 8.54 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 0.00 0.00 0.00 63 D 8.24 4.36 0.00 2.76 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 64 N 8.20 4.88 0.00 2.99 2.93 0.00 0.00 6.88 7.36 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 2.51 2.47 0.00 90 V 8.28 3.72 2.36 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 1.35 0.00 0.00 1.09 0.00 0.00 91 A 8.85 4.31 1.70 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 0.00 0.00 92 K 8.50 3.92 0.00 1.66 2.01 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.41 7.81 93 L 7.96 3.98 0.00 1.89 1.55 0.91 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 94 F 8.54 3.89 0.00 3.38 3.25 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 0.00 95 A 8.62 4.70 1.52 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 96 D 8.53 4.37 0.00 2.69 2.87 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 97 S 7.75 4.32 0.00 3.99 3.93 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 98 N 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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 2.21 1.05 0.00 0.00 107 S 8.27 4.11 0.00 4.54 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 0.00 108 P 0.00 4.09 0.00 1.93 2.36 0.00 3.76 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.84 0.00 109 Y 7.53 4.99 0.00 3.17 2.86 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 0.00 110 R 9.12 3.84 0.00 1.77 1.87 0.00 3.01 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 111 K 8.05 3.85 0.00 1.82 1.76 0.00 1.70 0.00 0.00 1.73 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.47 7.81 112 D 8.04 4.32 0.00 2.95 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 0.00 113 R 7.87 3.57 0.00 1.90 1.77 0.00 3.35 0.00 0.00 3.61 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.90 0.00 114 D 8.26 4.10 0.00 2.69 2.58 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 0.00 0.00 0.00 0.00 2.15 2.11 0.00 144 V 7.55 3.58 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 0.97 0.00 0.00 0.70 0.00 0.00 145 A 7.75 3.96 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 0.00 146 E 8.24 3.64 0.00 1.90 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 0.00 1.75 1.81 0.00 147 Q 7.45 4.20 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.89 0.00 0.00 0.00 0.00 0.00 2.49 2.41 0.00 148 R 7.70 3.91 0.00 1.97 1.98 0.00 3.40 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.77 0.00 149 D 8.76 4.45 0.00 2.96 2.86 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 0.00 150 P 0.00 4.24 0.00 2.23 2.21 0.00 3.89 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 2.04 2.05 0.00 151 K 8.08 4.35 0.00 1.82 1.82 0.00 1.81 0.00 0.00 1.86 0.00 0.00 2.95 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.44 1.41 7.81 152 G 8.35 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 0.00 153 L 7.34 3.74 0.00 1.51 1.13 0.97 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 154 Y 8.53 3.53 0.00 3.24 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 0.00 155 K 8.21 3.91 0.00 1.84 1.92 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.40 1.46 7.81 156 K 7.88 3.88 0.00 1.79 1.72 0.00 1.61 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.58 7.81 157 A 7.79 4.24 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 0.00 158 R 8.09 3.96 0.00 1.90 2.01 0.00 3.17 0.00 0.00 3.48 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.93 0.00 159 E 8.01 4.33 0.00 2.03 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.44 0.00 160 G 7.81 3.93 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 0.00 161 V 7.87 3.68 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 0.76 0.00 0.00 0.90 0.00 0.00 162 I 7.45 4.40 1.71 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.56 0.97 0.00 0.00 163 K 8.58 4.24 0.00 1.79 1.77 0.00 1.93 0.00 0.00 1.81 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.42 7.81 164 E 8.41 4.12 0.00 2.12 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 2.29 2.29 0.00 165 F 8.55 4.44 0.00 2.99 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 0.00 166 T 7.69 4.06 3.84 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 1.27 0.00 0.00 167 G 9.42 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 0.00 168 I 7.89 4.49 2.20 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.25 0.99 0.00 0.00 169 S 8.89 4.92 0.00 3.83 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 0.00 170 A 7.90 5.02 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 0.00 171 P 0.00 4.81 0.00 2.04 2.09 0.00 3.75 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 1.85 2.08 0.00 172 Y 8.26 4.36 0.00 2.97 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 0.00 173 E 8.13 4.32 0.00 1.72 1.74 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 2.19 2.07 0.00 174 A 8.19 3.86 1.11 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 0.00 0.00 175 P 0.00 4.15 0.00 2.11 2.17 0.00 2.45 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 176 A 8.48 4.13 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 0.00 177 N 7.55 5.06 0.00 2.65 2.73 0.00 0.00 6.92 8.02 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 0.00 178 P 0.00 4.52 0.00 2.52 2.12 0.00 3.79 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 179 E 8.69 3.95 0.00 1.73 1.12 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 2.39 2.35 0.00 180 V 7.90 4.33 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 1.03 0.00 0.00 0.69 0.00 0.00 181 H 8.97 5.25 0.00 3.19 3.18 0.00 5.78 0.00 0.00 0.00 0.00 6.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 V 8.75 4.00 2.02 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 0.88 0.00 0.00 0.91 0.00 0.00 183 K 8.29 4.24 0.00 1.30 1.21 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.26 1.12 7.81 184 N 8.10 4.72 0.00 2.66 2.74 0.00 0.00 6.86 6.92 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 0.00 185 Y 6.36 4.77 0.00 3.01 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 0.00 186 E 8.98 3.77 0.00 2.14 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 187 L 7.50 4.55 0.00 1.47 1.36 0.82 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 188 P 0.00 4.38 0.00 2.19 1.93 0.00 3.75 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.05 0.00 189 V 8.51 3.61 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.90 0.00 0.00 190 Q 8.02 3.96 0.00 2.14 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.95 0.00 0.00 0.00 0.00 0.00 2.44 2.50 0.00 191 D 8.08 4.32 0.00 2.89 2.67 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 0.00 192 A 7.83 3.91 1.34 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 0.00 0.00 193 V 8.04 3.55 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 1.11 0.00 0.00 0.91 0.00 0.00 194 K 8.28 3.94 0.00 1.92 1.94 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.57 7.81 195 Q 7.98 4.00 0.00 2.28 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 196 I 7.51 3.82 2.04 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 1.55 0.90 0.98 0.00 0.00 197 I 8.19 3.82 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.79 0.93 0.00 0.00 198 D 8.63 4.34 0.00 2.74 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 0.00 199 Y 7.94 3.99 0.00 3.20 3.26 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 0.00 200 L 8.09 3.96 0.00 1.96 1.86 1.02 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 201 D 8.35 4.33 0.00 2.78 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 202 T 7.51 3.84 4.10 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 1.23 0.00 0.00 203 K 6.79 3.95 0.00 0.79 0.74 0.00 1.42 0.00 0.00 1.29 0.00 0.00 3.04 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.44 0.89 7.81 204 G 7.34 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 0.00 0.00 0.00 205 Y 7.66 4.61 0.00 3.01 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 0.00 206 L 7.51 4.93 0.00 1.77 1.57 1.02 1.10 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 0.00 207 P 0.00 4.37 0.00 2.18 2.07 0.00 3.83 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 208 A 8.66 3.98 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 0.00 209 K 8.52 4.21 0.00 1.79 1.59 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.36 1.00 7.81 * Residues marked with a * may have inaccurate shift predictions.