NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 18 R 4.3421 8.2431 117.4210 56.3475 30.8384 175.3818 19 G 3.7712 7.8935 108.7649 43.7888 0.0000 169.8958 20 Q 4.9840 9.3918 119.4324 55.4262 33.2530 171.1138 21 I 4.9574 9.1723 120.7305 59.6023 40.3662 174.7728 22 Q 5.0955 9.2714 125.9478 54.0002 31.9948 174.6313 23 V 4.7032 8.8143 123.4851 61.1493 34.7029 174.3174 24 I 4.6986 9.1144 128.9134 59.8015 38.9596 175.0429 25 L 5.6024 8.7834 127.9740 51.8508 44.5543 176.1235 26 G 4.3853 7.8829 108.3718 45.4159 0.0000 170.1546 27 P 5.0332 0.0000 0.0000 61.5374 32.6420 175.7962 28 M 3.7410 8.2700 117.7710 56.6525 31.9980 177.3093 29 F 4.1679 8.0971 117.9510 58.5429 36.2304 176.0128 30 S 4.5931 7.6000 114.2870 57.7678 63.5219 174.3783 31 G 3.8997 8.0906 109.3162 47.0675 0.0000 176.1540 32 K 3.9002 8.2605 121.3126 59.4901 32.0339 178.8817 33 S 4.1357 8.0163 114.7380 61.7679 62.7287 176.7473 34 T 3.9000 7.8228 118.1162 66.5892 68.3199 176.2212 35 E 3.9544 8.3480 121.3139 58.9240 29.5677 178.4339 36 L 3.9567 8.1687 120.7045 58.7243 42.0886 179.0899 37 M 4.0921 8.2030 118.4402 58.0590 31.7234 178.5787 38 R 3.8894 8.3933 119.4888 59.6943 30.3430 178.8624 39 R 3.9366 8.0886 117.6312 59.1497 30.0747 179.2085 40 V 3.8311 8.0729 118.1726 66.2864 31.5553 178.3778 41 R 4.0212 8.4162 117.9312 59.1465 29.3536 179.2513 42 R 3.8517 7.8161 118.0201 59.2439 30.0528 179.0770 43 F 4.0315 7.7755 116.7247 60.4082 38.9492 177.5647 44 Q 4.2718 8.4429 119.3663 59.3608 28.6934 178.2422 45 I 3.7540 7.9807 118.3247 63.2617 38.2165 175.8362 46 A 4.4713 7.4902 121.9395 52.1335 18.3539 177.2358 47 Q 3.7389 8.1876 114.7886 58.0932 26.6779 173.4380 48 Y 4.2766 7.9166 115.4990 57.7401 38.8564 175.8924 49 K 4.3238 8.7745 122.9057 56.6881 33.3170 175.8043 50 C 5.4417 8.7310 121.4678 57.8982 32.1480 173.1253 51 L 4.8001 8.8379 122.5431 53.3934 45.5639 175.0793 52 V 4.9257 8.8200 125.7981 61.1585 34.4948 174.0392 53 I 5.2015 8.9849 128.4699 59.3223 40.0656 174.7213 54 K 5.2431 8.8740 125.0355 54.8278 36.3345 174.7480 55 Y 4.7958 8.3162 123.6097 57.7918 38.9877 176.8226 56 A 3.8956 8.3894 130.2985 54.4596 18.6838 178.1469 57 K 3.7982 6.1793 112.8758 56.6984 32.5089 176.1369 58 D 4.5741 7.1635 119.7242 53.2684 40.5946 175.8542 59 T 4.3626 8.1651 122.6353 63.6031 69.0921 176.3800 60 R 3.9422 7.6163 119.9218 58.6148 30.2056 177.1867 *74 E 4.3266 8.0971 115.2517 54.7072 31.9146 175.5512 75 A 4.9979 7.4547 120.2889 51.2504 18.2919 176.9413 76 L 4.3897 8.2555 123.1371 53.5267 43.3224 177.0957 77 P 5.0991 0.0000 0.0000 63.1109 32.5191 175.3065 78 A 4.6877 9.0188 121.6654 51.7658 22.4980 176.7041 79 C 4.5640 8.9322 116.0619 60.1173 30.2394 174.7181 80 L 5.1337 7.6465 118.2724 52.0225 45.2509 177.4625 81 L 3.6041 9.1427 123.0300 57.3786 40.8261 180.0381 82 R 4.0739 8.4915 116.3243 59.3340 28.9466 178.5981 83 D 4.5374 7.9382 118.7116 56.1376 41.0255 177.3493 84 V 4.6442 7.7390 110.2656 59.9505 32.7192 177.3462 85 A 4.3628 7.9372 124.2806 55.3242 17.8712 180.2455 86 Q 3.9497 8.0360 116.9519 59.3034 29.3234 177.7644 87 E 4.1082 8.2107 119.0529 59.3871 29.7130 179.0250 88 A 4.0608 8.2528 120.6854 54.9772 18.1799 179.6040 89 L 4.1039 7.7511 117.0198 57.3508 41.6841 178.8340 90 G 3.9798 7.7195 103.4351 44.0252 0.0000 173.2095 91 V 4.5048 7.1201 112.6339 59.3697 35.1011 175.0859 92 A 4.5209 8.5080 121.6620 52.8384 20.9022 177.3925 93 V 4.5599 7.6044 115.0163 61.1208 35.0320 174.4030 94 I 4.9590 8.9311 128.7056 59.5031 40.4125 174.5354 95 G 4.4284 9.2495 114.9897 44.5548 0.0000 172.3413 96 I 5.0539 8.7841 124.7376 59.3959 40.2675 173.9206 97 D 4.9542 9.3449 127.6729 52.8737 43.5681 175.9566 98 E 3.9580 8.7453 122.4617 57.1481 27.1181 176.6472 99 G 3.9098 8.3114 109.6179 48.5323 0.0000 175.9604 100 Q 3.7300 7.5510 116.7980 58.5392 28.3625 177.1610 101 F 4.1658 7.1579 115.3187 57.5937 39.4535 175.2976 102 F 4.7104 7.7290 121.5868 55.0207 39.1192 175.0497 103 P 4.3758 0.0000 0.0000 65.0171 31.5511 176.7604 104 D 5.2081 8.0462 117.5736 53.1716 40.0261 177.7803 105 I 3.6704 7.8161 122.3772 64.9890 37.7602 177.9101 106 V 3.5976 7.7624 118.5531 65.9582 31.5824 177.6710 107 E 3.9821 8.1619 117.0015 59.3245 29.3860 178.6499 108 F 3.9899 8.3500 121.6163 61.2171 39.4564 176.9270 109 C 4.0669 8.2511 116.3422 62.7260 27.8639 175.7601 110 E 3.8380 8.2195 120.6652 59.1438 29.2448 178.7295 111 A 3.8802 7.9127 120.7164 55.4280 18.4830 179.4981 112 M 3.7392 7.8649 117.1731 58.4465 31.9677 178.9554 113 A 4.1705 8.0702 121.0248 55.1824 18.3423 179.3277 114 N 4.4043 8.2488 113.6063 55.3373 38.6908 176.4149 115 A 4.4161 7.5119 120.6165 51.8738 19.0862 177.7496 116 G 3.8945 7.8886 106.1974 44.9312 0.0000 174.0220 117 K 4.4393 7.9482 119.1678 55.8240 34.1510 176.0154 118 T 4.6643 8.3685 120.1667 62.4355 70.1127 173.9065 119 V 4.7719 8.6804 127.3182 61.0354 34.2355 174.2027 120 I 5.0017 8.9156 128.7840 59.4600 40.4859 174.5502 121 V 4.8240 8.9224 126.9152 60.9974 34.3458 173.8549 122 A 5.1071 8.8875 130.0546 50.8229 20.8310 175.6259 123 A 4.7207 8.6272 122.0712 50.5274 23.3113 175.6449 124 L 4.8487 8.5199 121.0747 54.3500 41.6889 177.6454 125 D 4.4912 8.9654 123.1179 55.0762 40.1853 176.4564 126 G 4.2128 7.6793 106.6209 43.3601 0.0000 172.3360 127 T 4.1150 8.4071 112.8059 60.0818 70.0126 175.3000 128 F 4.8194 8.9021 115.1302 58.9664 37.1879 175.8145 129 Q 4.5065 7.2900 119.0662 54.1031 28.5850 175.7529 130 R 3.6829 7.7306 115.9659 57.2892 28.2577 176.2231 131 K 4.5637 6.8580 111.8742 53.4773 34.6901 174.5248 132 P 4.5028 0.0000 0.0000 63.2294 31.6312 176.0994 133 F 4.4449 8.7250 125.5782 57.2058 39.8866 175.2600 134 G 3.9222 8.5395 120.1152 47.1991 0.0000 173.2923 135 A 4.4949 8.3677 125.7356 52.0363 19.7314 178.5678 136 I 3.6744 7.5183 118.0631 64.3488 37.9288 177.8540 137 L 4.1370 7.8784 118.7725 57.1711 41.3345 178.6454 138 N 4.4215 7.9082 115.6517 55.7827 38.7536 176.7930 139 L 4.1359 7.9854 120.6764 57.1854 41.5969 179.4948 140 V 3.5671 7.7613 118.7231 65.6208 31.3363 176.3410 141 P 4.3850 0.0000 0.0000 64.5961 31.3146 177.5788 142 L 4.2999 7.6002 115.6855 54.0924 42.3721 176.1188 143 A 4.7266 7.0722 122.3231 50.3809 20.7011 177.0879 144 E 4.2321 8.5473 121.6683 58.7812 30.4034 177.6465 145 S 4.6805 7.8744 113.3750 56.4867 66.1360 173.0673 146 V 4.9152 8.3872 125.5597 61.4516 34.3101 174.4988 147 V 4.5728 8.8000 120.1132 59.3264 35.8852 174.4543 148 K 4.7670 8.4558 124.1356 54.6309 33.6203 175.8562 149 L 4.4993 8.9707 128.4532 54.7656 42.6339 176.4193 150 T 4.7772 8.3616 109.7680 60.1376 71.7559 173.0983 151 A 4.7868 8.5930 124.8313 50.4201 22.6160 175.1359 152 V 4.3989 8.1325 117.9544 61.6221 33.0844 175.4154 153 C 4.4313 9.1271 129.1460 60.0831 31.9521 174.0411 154 M 4.2639 9.0775 126.0271 56.4941 31.9632 176.7166 155 E 4.2937 7.6934 117.4068 56.5565 31.2254 176.1767 156 C 4.4492 6.9017 109.6310 56.4411 30.9927 175.0279 157 F 4.0977 7.3796 117.7417 58.1473 36.9581 175.1532 158 R 4.4278 7.2895 120.1284 55.1800 32.0883 175.1393 159 E 4.5479 8.7548 120.5514 56.6332 30.4525 175.9495 160 A 4.9168 9.0830 127.7472 50.2152 21.5340 176.3393 161 A 4.3774 8.3012 121.7365 51.5689 20.6248 175.2613 162 Y 4.9458 7.7358 112.3588 56.2349 42.9355 174.4321 163 T 5.1439 8.5920 116.7850 61.8780 71.7605 172.9985 164 K 4.8825 9.3801 128.4471 54.9083 34.2767 175.0831 165 R 4.4770 8.8042 127.9453 56.0668 30.2480 176.0997 166 L 4.0756 8.5865 126.6937 56.7650 42.5926 177.3418 167 G 3.8761 7.5930 106.9986 44.5979 0.0000 172.9359 168 T 4.3307 8.0312 107.6631 61.0243 69.4921 174.7532 169 E 3.8916 7.9132 122.0374 57.2131 29.7677 176.6260 170 K 4.5434 8.3932 121.9793 56.0014 33.7214 176.0114 171 E 4.2853 7.8748 116.1106 56.3420 30.5576 176.8910 172 V 3.7445 8.5614 121.7757 66.1322 31.6853 176.4078 173 E 4.4557 8.1078 125.0269 55.3205 28.5325 175.8583 174 V 4.3345 8.2258 125.7055 60.6846 33.3661 175.1290 175 I 4.0363 8.5583 128.8259 60.1438 37.6194 176.2166 176 G 4.3873 7.8486 115.2348 45.8320 0.0000 172.4090 177 G 4.4851 7.7010 107.5882 45.0910 0.0000 175.5122 178 A 4.9650 9.1715 123.1174 54.1308 18.7118 178.6266 179 D 4.5422 8.2843 114.6114 55.4292 39.7702 177.0144 180 K 4.4396 8.3789 117.9337 56.4436 35.0242 175.6151 181 Y 5.4037 8.0537 116.2212 56.6854 42.9175 173.6324 182 H 5.6121 9.3513 118.9184 53.8167 32.6156 173.4194 183 S 4.9976 9.1632 117.6432 58.8388 64.3916 173.4846 184 V 4.9753 9.0771 116.0158 59.8144 36.6047 174.8246 185 C 4.8398 8.6044 117.6908 57.1993 31.2151 174.6146 186 R 3.9152 8.9624 118.9367 59.7394 29.2538 178.2031 187 L 4.1464 7.9566 116.8137 58.2446 42.1720 178.9305 188 C 4.3379 8.1400 116.1101 62.6092 28.2555 175.0820 189 Y 3.9834 8.3910 121.6963 60.2466 37.9510 177.4654 190 F 4.9042 7.7592 115.7953 56.9827 39.5110 176.0071 191 K 4.0909 7.6054 124.0101 57.0650 33.4505 175.3446 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 18 R 8.24 4.34 0.00 1.83 2.09 0.00 3.00 0.00 0.00 3.21 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.64 0.00 19 G 7.89 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 20 Q 9.39 4.98 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.70 0.00 0.00 0.00 0.00 0.00 2.16 2.26 0.00 21 I 9.17 4.96 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.94 0.90 0.00 0.00 22 Q 9.27 5.10 0.00 1.93 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.76 0.00 0.00 0.00 0.00 0.00 2.27 2.25 0.00 23 V 8.81 4.70 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 0.96 0.00 0.00 0.92 0.00 0.00 24 I 9.11 4.70 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 1.22 0.59 0.90 0.00 0.00 25 L 8.78 5.60 0.00 1.64 1.54 0.90 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 26 G 7.88 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 5.03 0.00 2.17 2.17 0.00 3.76 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.99 0.00 28 M 8.27 3.74 0.00 0.51 1.44 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.07 0.00 29 F 8.10 4.17 0.00 3.27 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 30 S 7.60 4.59 0.00 4.11 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 31 G 8.09 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 32 K 8.26 3.90 0.00 1.77 1.85 0.00 1.87 0.00 0.00 1.87 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.50 7.81 33 S 8.02 4.14 0.00 3.88 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 34 T 7.82 3.90 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 1.23 0.00 0.00 35 E 8.35 3.95 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 36 L 8.17 3.96 0.00 1.79 1.87 0.96 1.31 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 37 M 8.20 4.09 0.00 2.10 2.22 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.83 0.00 38 R 8.39 3.89 0.00 1.95 2.09 0.00 3.08 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 1.62 1.68 0.00 39 R 8.09 3.94 0.00 2.13 2.07 0.00 3.22 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.85 0.00 40 V 8.07 3.83 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 1.09 0.00 0.00 0.98 0.00 0.00 41 R 8.42 4.02 0.00 1.96 1.99 0.00 3.20 0.00 0.00 3.19 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.89 0.00 42 R 7.82 3.85 0.00 1.72 1.66 0.00 3.05 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 1.54 1.71 0.00 43 F 7.78 4.03 0.00 3.30 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 44 Q 8.44 4.27 0.00 2.22 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 45 I 7.98 3.75 1.89 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 1.24 0.95 1.02 0.00 0.00 46 A 7.49 4.47 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.19 3.74 0.00 2.19 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.25 6.80 0.00 0.00 0.00 0.00 0.00 2.28 2.45 0.00 48 Y 7.92 4.28 0.00 3.06 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 49 K 8.77 4.32 0.00 1.76 1.77 0.00 1.78 0.00 0.00 1.83 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.55 1.49 7.81 50 C 8.73 5.44 0.00 2.85 2.82 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 51 L 8.84 4.80 0.00 1.73 1.46 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 52 V 8.82 4.93 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 0.94 0.00 0.00 0.95 0.00 0.00 53 I 8.98 5.20 1.71 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.50 0.73 0.00 0.00 54 K 8.87 5.24 0.00 1.87 1.93 0.00 1.34 0.00 0.00 1.60 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.39 7.81 55 Y 8.32 4.80 0.00 2.86 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 A 8.39 3.90 1.16 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 0.00 0.00 57 K 6.18 3.80 0.00 1.04 1.56 0.00 1.60 0.00 0.00 1.48 0.00 0.00 2.85 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.06 0.67 7.81 58 D 7.16 4.57 0.00 2.63 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 T 8.17 4.36 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 1.17 0.00 0.00 60 R 7.62 3.94 0.00 1.88 2.04 0.00 3.28 0.00 0.00 3.36 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 *74 E 8.10 4.33 0.00 2.16 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 0.00 2.28 2.35 0.00 75 A 7.45 5.00 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 76 L 8.26 4.39 0.00 1.63 1.61 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 77 P 0.00 5.10 0.00 2.04 2.03 0.00 3.79 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 78 A 9.02 4.69 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 79 C 8.93 4.56 0.00 2.99 3.03 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 80 L 7.65 5.13 0.00 1.71 1.72 0.97 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 81 L 9.14 3.60 0.00 1.46 0.39 0.42 -0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 82 R 8.49 4.07 0.00 2.13 2.36 0.00 2.85 0.00 0.00 3.20 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 83 D 7.94 4.54 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 84 V 7.74 4.64 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 1.07 0.00 0.00 0.83 0.00 0.00 85 A 7.94 4.36 1.55 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 0.00 0.00 86 Q 8.04 3.95 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.01 0.00 0.00 0.00 0.00 0.00 2.35 2.46 0.00 87 E 8.21 4.11 0.00 2.30 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 2.41 2.45 0.00 88 A 8.25 4.06 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 L 7.75 4.10 0.00 1.81 1.73 0.91 0.84 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 90 G 7.72 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 0.00 0.00 0.00 91 V 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0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.37 0.00 108 F 8.35 3.99 0.00 3.07 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 0.00 109 C 8.25 4.07 0.00 3.11 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 0.00 110 E 8.22 3.84 0.00 2.11 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 2.34 0.00 111 A 7.91 3.88 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 0.00 112 M 7.86 3.74 0.00 1.73 1.75 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.66 0.00 113 A 8.07 4.17 1.26 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 0.00 0.00 114 N 8.25 4.40 0.00 2.71 2.85 0.00 0.00 6.98 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 A 7.51 4.42 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 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0.00 1.23 1.77 0.83 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 125 D 8.97 4.49 0.00 2.82 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 0.00 126 G 7.68 4.21 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 0.00 127 T 8.41 4.12 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 0.50 0.00 0.00 128 F 8.90 4.82 0.00 3.36 3.43 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 0.00 129 Q 7.29 4.51 0.00 1.70 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.34 0.00 0.00 0.00 0.00 0.00 1.50 1.16 0.00 130 R 7.73 3.68 0.00 1.58 1.70 0.00 2.21 0.00 0.00 2.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.94 0.00 131 K 6.86 4.56 0.00 1.67 1.59 0.00 1.55 0.00 0.00 1.56 0.00 0.00 2.81 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.27 1.38 7.81 132 P 0.00 4.50 0.00 2.03 2.01 0.00 3.62 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 133 F 8.73 4.44 0.00 2.90 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 G 8.54 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 A 8.37 4.49 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 0.00 136 I 7.52 3.67 1.79 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 1.16 0.97 0.00 0.00 137 L 7.88 4.14 0.00 1.73 1.70 0.92 0.72 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 0.00 138 N 7.91 4.42 0.00 2.88 2.90 0.00 0.00 7.01 7.70 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 0.00 139 L 7.99 4.14 0.00 1.86 1.71 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 140 V 7.76 3.57 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.95 0.00 0.00 141 P 0.00 4.39 0.00 2.06 2.09 0.00 3.81 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 2.02 2.17 0.00 142 L 7.60 4.30 0.00 1.77 1.85 0.92 0.69 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 0.00 143 A 7.07 4.73 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 0.00 144 E 8.55 4.23 0.00 2.00 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 0.00 2.34 2.29 0.00 145 S 7.87 4.68 0.00 3.84 3.63 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 0.00 146 V 8.39 4.92 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 0.86 0.00 0.00 0.92 0.00 0.00 147 V 8.80 4.57 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 0.67 0.00 0.00 0.92 0.00 0.00 148 K 8.46 4.77 0.00 1.70 1.65 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.69 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.24 1.37 7.81 149 L 8.97 4.50 0.00 1.49 1.57 0.97 0.79 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 0.00 150 T 8.36 4.78 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 1.16 0.00 0.00 151 A 8.59 4.79 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 0.00 152 V 8.13 4.40 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 0.95 0.00 0.00 0.99 0.00 0.00 153 C 9.13 4.43 0.00 2.99 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 0.00 154 M 9.08 4.26 0.00 1.75 1.90 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.39 0.00 155 E 7.69 4.29 0.00 1.83 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 2.20 2.22 0.00 156 C 6.90 4.45 0.00 3.01 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 0.00 157 F 7.38 4.10 0.00 3.33 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 0.00 158 R 7.29 4.43 0.00 1.84 1.92 0.00 3.15 0.00 0.00 3.13 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.62 0.00 159 E 8.75 4.55 0.00 1.98 1.83 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 2.26 2.32 0.00 160 A 9.08 4.92 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 0.00 161 A 8.30 4.38 0.34 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 0.00 162 Y 7.74 4.95 0.00 3.01 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 0.00 163 T 8.59 5.14 4.36 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 1.27 0.00 0.00 164 K 9.38 4.88 0.00 1.92 1.96 0.00 1.43 0.00 0.00 1.41 0.00 0.00 2.96 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.35 1.32 7.81 165 R 8.80 4.48 0.00 1.81 1.81 0.00 2.62 0.00 0.00 2.79 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.12 0.00 166 L 8.59 4.08 0.00 1.42 1.59 0.84 0.63 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 0.00 167 G 7.59 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 0.00 0.00 0.00 168 T 8.03 4.33 4.21 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 1.18 0.00 0.00 169 E 7.91 3.89 0.00 1.74 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 2.24 2.29 0.00 170 K 8.39 4.54 0.00 1.70 1.83 0.00 1.80 0.00 0.00 2.13 0.00 0.00 3.24 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.57 7.81 171 E 7.87 4.29 0.00 2.15 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 2.26 0.00 172 V 8.56 3.74 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 0.46 0.00 0.00 0.93 0.00 0.00 173 E 8.11 4.46 0.00 2.28 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 0.00 2.32 2.33 0.00 174 V 8.23 4.33 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 0.87 0.00 0.00 0.92 0.00 0.00 175 I 8.56 4.04 1.89 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.02 0.96 0.00 0.00 176 G 7.85 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 G 7.70 4.49 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 0.00 178 A 9.17 4.97 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 D 8.28 4.54 0.00 2.81 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 K 8.38 4.44 0.00 1.79 1.33 0.00 1.56 0.00 0.00 1.52 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.27 1.39 7.81 181 Y 8.05 5.40 0.00 3.13 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 0.00 182 H 9.35 5.61 0.00 3.15 3.22 0.00 5.64 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 S 9.16 5.00 0.00 4.03 4.48 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 0.00 184 V 9.08 4.98 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 1.23 0.00 0.00 185 C 8.60 4.84 0.00 3.19 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 0.00 186 R 8.96 3.92 0.00 2.16 2.14 0.00 3.29 0.00 0.00 3.45 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.88 0.00 187 L 7.96 4.15 0.00 1.73 1.79 0.97 0.98 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 0.00 188 C 8.14 4.34 0.00 3.02 3.16 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 0.00 189 Y 8.39 3.98 0.00 3.08 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 0.00 190 F 7.76 4.90 0.00 3.12 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 K 7.61 4.09 0.00 1.97 2.13 0.00 1.65 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.29 1.23 7.81 * Residues marked with a * may have inaccurate shift predictions.