NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.2946 8.1733 119.9972 56.1775 33.9779 175.2215 4 L 3.8863 8.0808 120.6455 55.2187 42.5067 172.9469 5 E 4.4980 9.4150 129.8146 56.8060 29.4331 176.7972 6 A 4.3035 7.8139 119.0564 54.7451 18.3245 179.5227 7 I 3.5865 7.4588 117.5404 64.6248 37.1364 178.1193 8 L 3.9680 7.8991 120.5318 58.4379 41.9715 178.8629 9 S 4.2762 8.6851 114.8792 60.6321 62.7207 175.6964 10 Q 4.3232 7.7525 118.7199 56.9985 29.1473 177.0207 11 E 4.2898 8.0773 120.2315 58.5029 29.8565 178.8956 12 V 3.7772 7.5143 112.7151 63.7271 32.8362 176.7478 13 E 4.5332 7.5850 118.6151 54.2671 25.9426 175.1584 14 A 4.7225 7.3824 135.0000 53.0424 20.9355 178.9221 15 E 3.9235 7.3649 116.0157 59.2992 29.7689 178.2197 16 I 4.1552 7.9379 109.2016 61.4112 37.7985 176.6026 17 Q 4.4303 7.7731 121.1257 57.2895 29.9548 177.3058 18 A 3.9758 7.7563 121.8387 55.2093 18.3908 179.6532 19 L 3.9133 8.2337 117.6043 58.0966 41.5333 179.8186 20 L 4.2563 7.8643 117.5350 57.0632 41.3837 179.1724 21 Q 4.2307 8.5007 118.9733 58.4925 28.4271 177.7869 22 E 4.0369 8.5252 120.4337 58.7297 29.5123 177.8205 23 A 4.2413 8.2695 118.5781 52.4331 19.0596 177.0560 24 E 4.4572 7.5189 116.6568 55.5507 30.2593 176.3937 25 A 4.6091 7.6887 116.0985 52.4768 19.8398 178.1406 26 K 4.2793 7.4941 117.2481 57.9253 32.5519 178.3724 27 A 4.0656 7.9793 120.3613 54.1959 18.0989 179.1001 28 E 4.0849 8.0527 115.8150 59.1070 30.4037 178.3031 29 A 3.8299 7.9325 121.6925 54.8237 18.3086 179.6096 30 V 3.5263 8.5089 116.9461 66.1071 31.7333 178.2891 31 K 4.0311 7.5236 119.7167 59.2130 31.8640 179.1224 32 R 3.8688 8.6375 119.4561 59.3115 30.1262 178.6313 33 E 3.6249 8.3155 118.6521 59.0269 29.5525 178.7178 34 A 4.0640 8.0660 121.1846 54.8352 18.4528 179.4568 35 E 3.9578 8.0551 117.0252 59.4887 28.3231 179.0578 36 E 4.2113 9.1663 120.9974 59.0016 29.4319 179.9138 37 K 3.8695 7.8253 124.2214 59.4338 32.1025 184.1785 38 A 4.1948 8.0144 121.8720 54.9470 18.2118 179.2835 39 K 3.7281 8.0137 117.6019 60.0845 31.7525 178.8762 40 A 3.9906 7.5533 120.2745 54.5478 18.0999 178.6830 41 L 4.1710 8.2293 117.6135 56.4117 42.5991 177.2756 42 L 4.6197 7.6118 117.7110 55.6274 43.4247 177.9545 43 Q 3.9831 8.4051 118.3425 59.1228 28.7209 178.1019 44 A 4.0115 7.7008 120.8203 54.9434 18.4663 179.6971 45 R 3.8122 7.9073 116.8014 59.5106 29.7865 178.0692 46 E 3.9885 8.3485 120.9362 60.4625 29.4104 180.3972 47 R 3.9871 7.8194 119.6681 61.3199 29.3335 180.4710 48 A 4.2064 8.1395 121.4680 55.1735 18.3002 179.7469 49 L 3.9446 7.8046 116.9190 57.9120 41.3937 179.2866 50 E 3.9172 7.8956 117.1491 59.4667 29.4192 178.8939 51 A 4.1343 7.9618 122.7563 56.3575 17.4910 180.2654 52 Q 4.1501 8.5009 117.8178 59.1699 28.1108 179.0277 53 Y 4.8415 7.6456 118.3815 60.0635 40.1571 177.5662 54 R 3.9664 9.8254 118.7005 59.1443 30.1071 178.9722 55 A 4.0567 8.2995 120.4417 55.0545 18.6392 179.5598 56 A 3.9001 7.4026 119.6486 55.2634 18.4383 179.8689 57 L 3.8704 7.8108 117.4532 57.4775 41.6863 179.8534 58 R 3.9751 7.5081 116.7574 59.2170 29.9696 178.6610 59 R 3.8441 7.9895 118.2741 59.7653 29.8961 178.2486 60 A 4.0144 7.7982 119.0984 54.2772 18.3044 179.5460 61 E 3.8730 8.0540 117.7980 59.6016 29.5766 179.2104 62 S 4.0509 8.0709 114.7948 61.6245 62.9785 176.4769 63 A 4.2737 8.2569 123.6371 55.5181 17.7137 180.0643 64 G 3.7510 7.8413 103.8642 47.6952 0.0000 175.5460 65 E 3.9837 8.5915 122.0949 59.0377 29.6884 178.6011 66 L 3.9288 8.7628 121.6464 58.0396 41.4142 178.5857 67 L 4.0068 8.4203 120.3510 57.4155 41.7716 178.9116 68 V 3.6485 7.2651 116.6723 65.4697 31.7631 177.2985 69 A 3.9532 7.7219 120.4092 55.6762 18.1681 179.7511 70 T 3.7765 7.8979 107.7097 64.9667 68.4485 176.6689 71 A 4.2082 7.5071 120.2790 54.6583 18.2027 179.8851 72 R 3.8795 8.2035 117.1140 59.5083 30.1771 179.1693 73 T 3.8086 8.0765 115.9635 66.6227 68.3936 176.3561 74 Q 3.9603 8.5657 121.5695 59.0698 29.1165 178.3053 75 A 3.9820 7.6876 121.1793 55.3228 18.6569 179.5188 76 R 4.1015 8.8987 118.6106 59.7297 29.9419 178.5085 77 G 3.7080 8.7993 105.8868 47.7622 0.0000 175.2098 78 E 3.9947 8.6520 121.5179 59.0326 29.5767 180.2768 79 V 3.7084 7.9673 117.4566 65.9553 31.6594 178.0335 80 L 4.2731 8.1280 118.4648 58.0722 41.4692 179.1306 81 E 4.0110 8.9134 118.9113 58.3389 29.5416 177.9081 82 E 4.1216 7.8688 119.2604 58.5156 30.0180 178.0991 83 V 3.6328 8.0462 118.5868 65.8249 31.5988 178.1068 84 R 3.2932 8.1290 118.5968 59.0555 29.8640 178.0649 85 R 3.7814 7.4789 118.6326 59.7316 29.9057 178.5858 86 R 3.8022 7.8415 117.2215 59.4240 30.3385 178.9613 87 V 3.5425 7.6435 118.0005 66.2803 31.3001 177.8628 88 R 4.0411 8.0296 117.9591 58.7453 30.0198 177.9145 89 E 3.8559 8.0300 119.0723 58.8908 29.3070 178.6832 90 A 3.9125 7.8430 120.1536 55.2852 18.8557 179.3811 91 L 4.0977 7.6161 118.7291 58.4479 41.4374 180.2387 92 E 3.9354 8.1774 117.4031 60.3486 28.4677 180.3069 93 A 4.6626 7.5635 119.7453 51.9393 19.0878 178.8100 94 L 3.9971 7.2625 124.0051 58.8955 42.4915 176.6137 95 P 2.9700 0.0000 0.0000 64.5425 31.3329 176.5124 96 Q 4.6923 7.0310 119.0099 56.1804 28.9197 176.0629 97 K 4.6466 7.4800 117.2188 52.2969 36.2395 176.5744 98 P 4.5961 0.0000 0.0000 64.3678 31.9388 176.3085 99 E 3.7863 8.9666 112.1039 57.2587 29.4729 176.1289 100 W 4.4873 8.4523 129.8715 60.0811 30.7344 175.9202 101 P 3.7491 0.0000 0.0000 65.8720 30.5562 178.3358 102 E 3.9435 8.0530 117.8613 58.6020 29.4092 179.4931 103 V 3.6086 7.3761 117.6903 66.0607 31.5747 178.3741 104 V 3.3040 7.1530 112.0317 64.4077 31.2197 178.9031 105 R 3.8329 7.6477 117.4863 59.1393 29.7159 179.0895 106 K 3.9080 7.4046 116.7227 59.1282 31.9039 178.7122 107 L 4.2054 7.7614 118.8336 57.8788 41.5828 179.3434 108 A 4.0949 7.8567 122.9649 55.2916 18.2039 180.2448 109 L 4.0915 8.1903 123.9096 60.5573 41.0018 184.3431 110 E 4.3914 7.9368 118.6756 60.5148 29.3287 180.7602 111 A 4.2036 7.9728 119.7273 55.2388 18.5549 178.9971 112 L 4.2793 7.4889 117.6395 58.9218 41.0840 179.4328 113 E 4.1051 8.5218 118.5050 62.2013 30.1186 181.2314 114 A 4.5711 8.5188 125.4501 52.6656 19.7418 177.5830 115 L 4.1526 8.7263 113.1054 57.2534 41.1663 172.9960 116 P 4.3734 0.0000 0.0000 62.3313 32.0982 176.5358 117 G 3.7850 8.4213 110.2607 44.9149 0.0000 172.8910 118 A 4.4528 8.1784 122.4934 52.2185 19.0240 175.8978 119 K 4.3586 7.5329 120.7914 55.2053 40.3500 176.0402 120 A 4.7980 7.8963 119.0067 52.7068 23.5905 174.3616 121 L 5.1665 8.1028 121.3015 54.9354 46.0021 173.5283 122 V 4.5570 8.2571 114.5686 61.8625 36.7028 173.0737 123 A 4.3900 7.9845 120.2763 52.7977 21.9719 175.7689 124 N 4.5778 8.4199 115.2666 53.1201 38.9574 174.3014 125 P 4.6135 0.0000 0.0000 63.8340 31.6995 176.5860 126 E 4.4634 8.1120 119.9645 57.8470 30.2126 177.5422 127 D 4.7073 7.9830 120.5108 56.6235 39.8670 184.0303 128 L 4.1815 7.7810 118.2746 58.4306 41.6533 177.1015 129 P 4.1750 0.0000 0.0000 65.0089 31.1981 176.4932 130 H 4.8984 7.3345 114.8921 55.5213 29.7348 175.9241 131 L 4.5804 7.7289 114.8614 53.7663 42.6902 177.4972 132 E 4.7057 7.8365 112.9338 56.2325 30.4774 176.9667 133 A 4.0281 7.9764 120.9822 54.3120 19.2977 179.8099 *135 A 4.3440 8.0784 121.3750 52.7449 20.3367 179.8131 136 R 4.1117 7.7605 114.1188 58.8582 30.1047 179.3345 137 E 4.3940 8.0849 116.0831 57.2939 29.6978 182.8982 138 R 3.8816 7.8568 117.4386 57.2941 26.3726 176.9079 139 G 4.3641 7.6266 108.3611 43.8426 0.0000 171.4687 140 V 3.5777 8.0262 121.1564 61.9291 31.5800 171.7057 141 E 4.8567 8.1939 117.5634 54.1067 32.6501 175.3251 142 L 4.6874 7.6056 116.1076 56.3231 41.8297 179.0526 *145 E 4.1118 8.6930 124.7846 56.8861 30.0812 173.6286 146 P 4.3915 0.0000 0.0000 62.0819 31.9948 175.5817 147 A 3.6882 8.0200 122.7071 53.9201 14.8466 179.7896 148 L 4.0166 8.5703 122.7092 54.7535 41.7802 180.0776 149 R 4.1965 7.5574 115.7644 57.3170 29.9117 176.6729 150 L 5.0323 7.5985 118.7887 53.0086 42.7431 174.7020 151 G 4.2656 7.8683 104.6826 46.1287 0.0000 173.4979 152 V 4.7874 8.2958 121.6821 61.6041 34.6696 175.3522 153 R 4.7617 8.7762 128.0043 56.6753 30.7177 171.4802 154 A 5.0365 9.0696 120.4360 50.6960 22.8186 175.4062 155 V 4.5276 8.6192 120.5163 61.0718 33.0477 177.0067 156 G 3.9928 8.8798 118.2275 47.7850 0.0000 172.4521 157 A 4.3691 7.2562 122.0580 52.7861 21.8978 175.7088 158 E 4.1250 9.0632 110.1126 59.2690 30.5601 174.5911 159 G 3.8527 8.3625 109.7868 47.4327 0.0000 176.1813 160 K 4.4082 7.6229 122.6246 59.8871 33.6761 177.1677 161 T 3.4449 8.1312 116.9791 63.9783 67.2693 170.0385 162 Q 3.4363 7.9969 127.7517 55.4303 25.3484 172.1052 163 V 4.4067 8.1485 121.2499 60.7477 34.5715 173.5004 164 E 4.9494 8.9414 128.5990 54.4489 32.1873 174.6352 165 N 4.8800 9.0293 126.3246 51.8538 40.3488 172.7558 166 S 5.0633 8.2792 119.7486 55.5867 65.4751 174.9649 167 L 4.0620 8.5435 127.5938 58.8418 40.3767 179.3813 168 L 4.0923 7.8581 118.2303 57.5839 41.8251 178.8037 169 A 4.1974 8.0010 120.0983 54.9351 18.2910 178.5802 170 R 4.0549 7.9681 115.8639 56.9567 31.2037 177.7240 *172 D 4.7137 8.1281 120.0623 54.4227 43.5307 176.8073 173 R 4.5063 7.3798 119.2225 53.5774 29.0452 174.2572 174 A 4.4006 7.5214 129.5372 52.8895 24.3369 178.7971 175 W 4.2455 8.6848 123.5672 59.3754 30.8901 175.6159 176 D 4.6502 7.4979 113.0403 55.4986 42.1730 176.8890 177 A 4.0751 7.5236 118.8078 53.6618 17.9026 177.8581 *179 S 4.1093 8.0118 112.7665 58.4335 64.7885 176.5192 180 S 4.0773 7.8977 115.7009 61.2977 62.9814 176.1110 181 K 3.9914 8.0842 122.8809 58.9681 31.8098 179.4052 182 V 3.5124 7.6283 118.3378 64.6676 31.2817 178.1358 183 A 4.0583 7.6189 120.3207 54.9500 16.7869 179.1792 184 Q 3.9289 9.3436 118.5894 59.5341 28.8033 178.6523 185 A 4.3018 7.9166 120.7817 54.5412 18.5177 179.5226 186 L 3.6963 7.5286 116.9771 57.0783 41.7197 177.5535 187 W 4.6272 7.9677 115.2288 58.2165 30.9504 176.3349 188 G 3.8206 7.6348 109.7403 45.8181 0.0000 173.1752 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 K 8.17 4.29 0.00 1.92 2.01 0.00 1.49 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.41 7.81 4 L 8.08 3.89 0.00 1.74 1.64 0.92 0.69 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 5 E 9.41 4.50 0.00 2.08 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 2.22 2.25 0.00 6 A 7.81 4.30 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 7 I 7.46 3.59 1.87 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 1.60 1.17 0.91 0.00 0.00 8 L 7.90 3.97 0.00 1.75 1.88 0.92 0.98 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 9 S 8.69 4.28 0.00 3.86 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 Q 7.75 4.32 0.00 2.48 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.90 0.00 0.00 0.00 0.00 0.00 2.37 2.26 0.00 11 E 8.08 4.29 0.00 2.17 1.98 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 2.38 2.48 0.00 12 V 7.51 3.78 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 1.00 0.00 0.00 13 E 7.58 4.53 0.00 2.04 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 2.32 2.37 0.00 14 A 7.38 4.72 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 15 E 7.36 3.92 0.00 2.12 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 0.00 2.30 2.29 0.00 16 I 7.94 4.16 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.71 0.98 0.00 0.00 17 Q 7.77 4.43 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 18 A 7.76 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 19 L 8.23 3.91 0.00 1.67 1.73 0.92 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.86 4.26 0.00 1.68 1.71 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 21 Q 8.50 4.23 0.00 2.26 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.47 0.00 22 E 8.53 4.04 0.00 2.18 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 2.30 2.32 0.00 23 A 8.27 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 24 E 7.52 4.46 0.00 2.06 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 2.20 2.25 0.00 25 A 7.69 4.61 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 K 7.49 4.28 0.00 1.84 1.84 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.30 7.81 27 A 7.98 4.07 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.05 4.08 0.00 2.20 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 0.00 2.33 2.47 0.00 29 A 7.93 3.83 1.39 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 30 V 8.51 3.53 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.98 0.00 0.00 31 K 7.52 4.03 0.00 2.27 1.93 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.43 1.35 7.81 32 R 8.64 3.87 0.00 1.97 2.16 0.00 3.34 0.00 0.00 3.09 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.77 0.00 33 E 8.32 3.62 0.00 2.01 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.47 0.00 34 A 8.07 4.06 1.39 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 35 E 8.06 3.96 0.00 2.28 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 2.32 2.46 0.00 36 E 9.17 4.21 0.00 2.11 1.99 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 2.33 2.36 0.00 37 K 7.83 3.87 0.00 1.76 1.79 0.00 1.83 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.32 7.81 38 A 8.01 4.19 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 K 8.01 3.73 0.00 1.85 1.83 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.47 7.81 40 A 7.55 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 41 L 8.23 4.17 0.00 1.71 1.85 0.92 0.94 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 42 L 7.61 4.62 0.00 1.88 1.58 0.91 0.72 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 43 Q 8.41 3.98 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.49 2.51 0.00 44 A 7.70 4.01 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 45 R 7.91 3.81 0.00 1.93 2.06 0.00 3.26 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.77 0.00 46 E 8.35 3.99 0.00 2.24 1.98 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 2.31 2.46 0.00 47 R 7.82 3.99 0.00 1.79 1.94 0.00 3.28 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 48 A 8.14 4.21 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.80 3.94 0.00 1.80 1.70 0.89 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 50 E 7.90 3.92 0.00 2.23 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 2.31 2.48 0.00 51 A 7.96 4.13 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 52 Q 8.50 4.15 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.53 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 53 Y 7.65 4.84 0.00 3.06 3.17 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 54 R 9.83 3.97 0.00 2.07 2.00 0.00 3.39 0.00 0.00 3.27 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.86 0.00 55 A 8.30 4.06 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 56 A 7.40 3.90 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 57 L 7.81 3.87 0.00 1.53 1.55 0.71 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 58 R 7.51 3.98 0.00 2.10 1.95 0.00 3.14 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 1.63 1.68 0.00 59 R 7.99 3.84 0.00 2.03 2.08 0.00 3.12 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 60 A 7.80 4.01 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 61 E 8.05 3.87 0.00 2.21 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 2.49 0.00 62 S 8.07 4.05 0.00 4.00 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 63 A 8.26 4.27 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 64 G 7.84 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 0.00 0.00 0.00 65 E 8.59 3.98 0.00 2.27 1.98 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 2.28 2.33 0.00 66 L 8.76 3.93 0.00 1.80 1.76 0.90 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 67 L 8.42 4.01 0.00 1.89 1.84 0.91 0.88 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 68 V 7.27 3.65 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 1.01 0.00 0.00 0.99 0.00 0.00 69 A 7.72 3.95 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 70 T 7.90 3.78 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 1.24 0.00 0.00 71 A 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0.00 1.00 0.00 0.00 1.03 0.00 0.00 88 R 8.03 4.04 0.00 1.83 1.95 0.00 3.04 0.00 0.00 3.02 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 89 E 8.03 3.86 0.00 2.06 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 2.26 2.28 0.00 90 A 7.84 3.91 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 91 L 7.62 4.10 0.00 1.73 1.69 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 92 E 8.18 3.94 0.00 2.07 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 2.26 2.20 0.00 93 A 7.56 4.66 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 94 L 7.26 4.00 0.00 1.71 1.40 0.97 1.15 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 95 P 0.00 2.97 0.00 1.71 1.08 0.00 3.32 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.49 0.00 96 Q 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0.00 0.00 0.00 0.00 121 L 8.10 5.17 0.00 1.34 1.49 0.92 1.00 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 0.00 122 V 8.26 4.56 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.93 0.00 0.00 123 A 7.98 4.39 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 0.00 124 N 8.42 4.58 0.00 2.94 2.82 0.00 0.00 6.62 8.03 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 0.00 125 P 0.00 4.61 0.00 2.19 2.17 0.00 3.78 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 2.00 2.00 0.00 126 E 8.11 4.46 0.00 2.07 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 2.28 2.27 0.00 127 D 7.98 4.71 0.00 2.73 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 0.00 128 L 7.78 4.18 0.00 1.81 1.73 0.96 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 129 P 0.00 4.18 0.00 1.69 2.03 0.00 3.69 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 2.00 2.17 0.00 130 H 7.33 4.90 0.00 2.95 3.12 0.00 5.89 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 L 7.73 4.58 0.00 1.60 1.43 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 132 E 7.84 4.71 0.00 1.97 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 2.13 2.49 0.00 133 A 7.98 4.03 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 *135 A 8.08 4.34 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 0.00 136 R 7.76 4.11 0.00 1.86 1.86 0.00 3.26 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.44 0.00 137 E 8.08 4.39 0.00 1.97 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 2.17 1.86 0.00 138 R 7.86 3.88 0.00 1.95 1.83 0.00 3.20 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.17 0.00 139 G 7.63 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 0.00 0.00 0.00 0.00 140 V 8.03 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 0.71 0.00 0.00 0.92 0.00 0.00 141 E 8.19 4.86 0.00 2.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.84 0.00 142 L 7.61 4.69 0.00 1.59 0.94 0.92 0.87 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 *145 E 8.69 4.11 0.00 2.12 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 2.18 2.42 0.00 146 P 0.00 4.39 0.00 2.07 2.12 0.00 3.90 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 147 A 8.02 3.69 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 0.00 148 L 8.57 4.02 0.00 1.56 1.69 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 149 R 7.56 4.20 0.00 2.10 1.90 0.00 3.22 0.00 0.00 3.19 7.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.72 0.00 150 L 7.60 5.03 0.00 1.55 1.64 0.65 0.70 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 0.00 151 G 7.87 4.27 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 0.00 152 V 8.30 4.79 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 1.16 0.00 0.00 0.91 0.00 0.00 153 R 8.78 4.76 0.00 1.55 1.79 0.00 3.24 0.00 0.00 3.34 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.21 0.00 154 A 9.07 5.04 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 0.00 155 V 8.62 4.53 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 1.07 0.00 0.00 0.93 0.00 0.00 156 G 8.88 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 0.00 157 A 7.26 4.37 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 0.00 158 E 9.06 4.13 0.00 2.00 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 2.23 1.88 0.00 159 G 8.36 3.85 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 0.00 0.00 0.00 160 K 7.62 4.41 0.00 1.89 2.19 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.50 1.50 7.81 161 T 8.13 3.44 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 0.00 162 Q 8.00 3.44 0.00 2.22 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.72 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 163 V 8.15 4.41 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 1.03 0.00 0.00 0.93 0.00 0.00 164 E 8.94 4.95 0.00 2.24 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 0.00 2.16 1.83 0.00 165 N 9.03 4.88 0.00 2.84 2.68 0.00 0.00 6.19 7.59 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 0.00 166 S 8.28 5.06 0.00 3.88 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 0.00 167 L 8.54 4.06 0.00 2.17 1.87 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 168 L 7.86 4.09 0.00 1.64 1.77 0.89 0.77 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 0.00 169 A 8.00 4.20 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 R 7.97 4.05 0.00 1.91 1.99 0.00 3.22 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.85 0.00 *172 D 8.13 4.71 0.00 2.93 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.38 4.51 0.00 1.93 1.93 0.00 3.23 0.00 0.00 3.25 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 174 A 7.52 4.40 1.39 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 0.00 175 W 8.68 4.25 0.00 3.38 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 0.00 176 D 7.50 4.65 0.00 2.80 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 0.00 177 A 7.52 4.08 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 *179 S 8.01 4.11 0.00 3.83 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 0.00 180 S 7.90 4.08 0.00 4.05 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 0.00 181 K 8.08 3.99 0.00 1.73 1.89 0.00 1.67 0.00 0.00 1.85 0.00 0.00 2.97 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.51 1.44 7.81 182 V 7.63 3.51 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 0.53 0.00 0.00 0.83 0.00 0.00 183 A 7.62 4.06 1.69 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 0.00 0.00 184 Q 9.34 3.93 0.00 2.25 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 185 A 7.92 4.30 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 0.00 186 L 7.53 3.70 0.00 0.85 0.13 0.23 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 187 W 7.97 4.63 0.00 3.44 3.07 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 0.00 188 G 7.63 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 * Residues marked with a * may have inaccurate shift predictions.