NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.1803 8.2649 123.5827 52.1431 19.9916 175.6515 *2 T 4.0595 8.0503 114.7666 63.8856 69.4854 173.8151 3 T 4.4921 8.1618 119.4384 61.1798 68.6008 174.1712 4 Y 4.3951 8.3541 124.9652 56.3185 38.4878 174.8020 5 T 4.4141 7.9584 118.0427 60.4759 69.2513 174.0073 6 S 4.4765 8.3566 121.2292 57.2953 63.5230 174.7111 7 I 3.6847 8.6338 127.1187 64.3144 37.5354 177.5005 8 A 4.0118 8.0680 121.0580 55.3975 18.0463 179.1949 9 N 4.3279 8.2036 114.8202 56.3842 38.5606 177.9006 10 V 3.6974 7.7475 119.2080 65.9646 31.5217 177.9397 11 I 3.5899 7.5704 118.4717 64.3847 37.0826 178.1021 12 K 4.0295 7.9436 118.7350 58.3180 32.1025 177.4576 13 E 4.3776 7.2833 117.8666 55.5546 30.8521 176.0977 14 R 2.0000 6.9382 119.6356 55.3266 30.4338 175.6923 15 R 4.4354 5.8400 123.0557 53.7929 33.2991 175.6123 16 S 4.4379 8.4018 117.0920 58.5761 63.3228 174.0034 17 V 4.1781 8.4091 125.1519 61.1080 33.1762 175.1328 18 R 4.3341 8.3146 124.9952 56.2065 32.0158 176.2115 19 T 4.4334 7.2019 113.6513 61.3691 70.7368 173.3722 20 F 5.1803 8.4772 123.8664 55.5753 42.3008 175.0648 21 T 4.3705 8.7340 114.4557 60.9920 69.5791 174.3501 22 D 4.5028 8.5406 120.0670 55.9745 41.4845 176.3616 23 K 3.8110 7.3547 117.4160 56.9525 32.5767 176.2012 24 A 4.1132 8.5295 125.8107 51.9941 18.9222 177.0100 25 V 4.3262 8.2447 123.1801 61.1747 32.2624 175.9587 26 E 4.1807 8.6541 127.7771 55.8494 31.1157 177.6987 27 K 3.9300 8.6344 124.2953 59.8835 32.3728 178.8084 28 D 4.3651 8.1182 118.6293 57.1565 40.6517 178.4082 29 L 3.9383 7.8762 120.3004 58.1104 42.1137 178.6900 30 L 4.0783 7.6386 118.8676 58.1828 41.6401 179.5074 31 I 3.6976 7.9250 119.5626 64.3963 37.0164 178.0694 32 E 3.9283 8.3726 120.0947 59.4569 29.4733 178.9533 33 L 4.0377 8.1800 119.0962 57.7986 41.4057 179.5506 34 L 4.0282 8.2250 118.5026 57.7842 41.6750 179.0767 35 N 4.5809 8.3271 116.5640 56.3273 38.6252 177.0540 36 D 4.5887 8.3000 120.1133 57.6543 40.7794 178.9482 37 A 4.0674 8.1988 120.0491 55.0287 18.3282 179.4050 38 T 3.3503 7.5775 107.6286 63.6834 69.2142 175.5484 39 W 4.3322 7.9796 122.7098 56.3142 28.3654 175.9463 40 A 4.6996 7.5883 120.5313 49.7767 20.4828 176.1146 41 P 4.4888 0.0000 0.0000 63.2789 31.9924 175.6299 42 N 4.7170 8.5286 117.9618 51.8068 39.4687 173.3572 43 H 4.4104 8.9310 123.7226 57.2531 30.5194 175.0805 44 K 3.7267 9.0162 123.0837 56.6663 29.7598 174.6202 45 H 4.1356 7.9024 116.0001 57.3958 28.4760 176.0185 46 R 3.7558 7.5942 117.5899 56.9219 31.2811 177.0843 47 E 2.0000 7.8940 117.6784 56.1010 26.9894 174.2046 48 P 4.0305 0.0000 0.0000 64.0025 32.4171 177.8297 49 W 4.0696 5.6718 115.9543 56.4352 28.6631 175.0137 50 N 4.9456 8.3384 117.2578 51.8512 42.7675 173.0610 51 C 5.3159 8.3257 116.7799 58.1125 32.6466 173.8546 52 K 4.4682 9.4982 121.3916 54.6564 35.2616 174.8252 53 L 4.9134 8.4018 127.6221 53.5874 43.6706 174.8140 54 Y 4.6945 9.2196 124.6438 56.2246 40.5434 174.7207 55 I 4.6615 8.3031 123.1618 59.4942 41.8960 175.0164 56 G 3.7913 8.4373 117.1418 46.6681 0.0000 177.1360 57 E 4.1353 8.8319 122.1944 58.1002 29.9673 179.0795 58 G 3.7723 8.1754 107.0544 47.4973 0.0000 175.7099 59 R 4.2352 7.9626 119.9976 58.6697 30.0039 178.9792 60 K 4.0808 8.0146 118.6769 58.9781 32.1012 179.3417 61 K 3.9824 7.9963 118.8624 59.3109 31.9298 178.9445 62 L 3.5668 7.7822 119.8912 58.0851 42.0435 178.6970 63 V 3.2179 7.7610 118.0587 66.2619 31.4726 177.5976 64 D 4.3036 8.1539 118.0336 57.3495 40.4143 178.8246 65 A 3.9593 7.6531 119.9169 55.0053 18.7077 179.3166 66 V 3.3225 7.9404 117.0209 66.3213 31.5373 178.1111 67 L 3.5222 7.9072 118.6429 57.8667 41.2869 179.2546 68 N 4.5223 7.7311 114.3005 55.1578 38.6145 176.7211 69 S 4.4343 7.5258 114.2677 58.5536 63.8647 174.1119 70 F 5.5327 6.8704 120.7001 55.8616 40.3760 176.3690 71 T 4.1517 8.4837 119.4151 63.4391 70.2986 175.3049 72 E 3.9549 8.7341 122.8592 59.4346 29.6174 179.0320 73 E 4.0268 8.0483 118.4169 59.0781 29.7646 178.6378 74 E 3.8952 8.0020 117.0713 58.9829 29.6882 178.9618 75 R 4.1453 8.4345 120.1709 59.1847 29.9326 178.2799 76 A 3.9738 7.7530 119.5979 55.1958 18.5274 179.2884 77 K 4.0287 7.9704 116.6837 59.1012 32.5987 178.4041 78 R 4.5012 8.3876 117.6834 56.9049 31.0752 178.4953 79 G 3.9086 8.2155 106.4808 48.0905 0.0000 175.5894 80 K 3.9854 7.9894 122.2389 58.7498 32.4027 178.6731 81 I 3.7485 7.7703 112.9834 64.1847 37.3939 178.0456 82 L 4.0879 7.9903 120.8703 57.4251 41.4745 179.3696 83 S 4.0318 7.9651 112.9469 61.3673 62.3052 175.7332 84 D 4.4067 8.5113 121.9810 57.5014 40.4221 178.8920 85 R 3.9899 8.0052 117.3504 59.6756 30.5873 178.1755 86 F 4.2826 9.1827 117.9056 60.6463 38.7526 177.4282 87 L 4.3210 8.0967 116.4360 56.5664 41.6335 178.4391 88 S 4.6744 7.9362 114.0293 57.6662 63.4135 173.5996 89 T 4.5138 7.1223 112.7829 58.9137 70.4428 171.9937 90 P 4.4950 0.0000 0.0000 65.2120 32.1133 175.7947 91 A 5.0401 8.1697 119.2191 50.2853 23.3906 174.6021 92 Q 4.7964 9.0142 118.1739 54.0777 32.3868 174.6495 93 I 4.8695 8.6823 125.3538 59.5053 39.8555 174.8397 94 V 4.4128 9.3246 128.9964 62.0806 32.9195 174.6407 95 V 4.9037 8.9143 129.1286 61.6605 33.6822 174.2221 96 Y 5.7935 8.1486 125.0982 55.8354 41.4511 172.7822 *98 N 4.9162 8.6302 115.0942 53.7310 39.9629 174.3682 99 E 4.3377 9.4730 124.2189 55.0790 29.9032 176.1882 100 D 4.3587 8.8672 124.6954 54.0457 41.5320 174.9756 101 P 4.4171 0.0000 0.0000 64.2729 31.9290 176.0718 102 R 4.5483 8.0546 119.9891 54.4440 32.0067 176.3046 103 Q 3.9684 9.0028 124.0452 59.6130 28.8194 178.9899 104 I 3.6792 7.7161 119.9948 64.5780 37.2590 178.4158 105 Q 4.1700 8.0279 117.5996 58.7739 28.4348 178.3010 106 R 3.8679 8.0564 121.1680 59.5201 30.1303 177.9622 107 D 4.4120 8.5751 119.0236 57.5172 40.8634 178.5558 108 E 4.0243 8.4494 119.1251 59.8515 29.5534 179.3747 109 D 4.3592 8.3897 118.7801 57.3857 40.7583 178.2307 110 Y 4.0077 8.5210 120.1500 60.5407 38.8059 177.6335 111 A 4.1689 8.5658 121.8343 55.4168 18.4332 179.3700 112 A 4.3610 8.0546 120.1970 55.3478 18.3009 180.0453 113 T 4.2076 7.9808 112.7986 67.1031 68.5587 176.4957 114 C 4.4903 8.3840 117.9998 62.7040 28.3948 175.6816 115 A 4.3127 8.4647 122.6517 54.9131 17.9549 180.2851 116 F 4.1888 8.4964 117.5782 58.7174 39.2813 176.6914 *118 Q 4.3087 8.0742 119.6692 55.7388 30.6353 176.2154 119 N 4.1492 8.0919 115.1078 56.7369 38.5466 176.5623 120 F 3.8306 7.9360 121.1726 61.7681 39.4860 177.4489 121 Q 4.1085 8.1511 116.7343 58.9166 28.6161 178.9051 122 L 4.0337 7.9800 119.9851 57.8691 41.5087 179.5485 123 L 3.9759 8.0057 117.9167 57.4767 41.7622 179.1767 124 A 3.8274 8.0867 121.2607 54.6634 18.2948 179.3171 125 W 4.2452 8.1446 128.2840 60.0832 30.5053 177.6297 126 E 4.0187 8.0528 117.7628 58.9304 29.0669 178.1085 127 R 4.3762 7.8490 115.4073 55.6201 30.6332 177.2706 128 G 3.7421 7.7111 107.3835 45.0264 0.0000 173.2488 129 L 4.2515 7.5852 120.6089 53.9382 43.1255 176.4438 130 G 4.4218 9.3345 111.8204 45.4884 0.0000 172.0232 131 C 6.1857 8.4169 114.0531 57.3755 33.5387 172.5459 132 V 4.7496 8.5889 118.3553 60.8639 34.7368 173.7934 133 W 5.1837 8.9964 135.0000 55.9971 31.9357 174.9018 134 K 4.8132 9.5980 128.3860 55.3382 33.6118 176.2490 135 S 5.3395 8.7622 118.6998 55.9445 66.6804 171.7288 136 G 3.9764 9.7056 104.6661 43.7865 0.0000 174.8545 137 G 3.9491 9.0701 107.6858 48.6653 0.0000 175.4302 138 L 3.9398 8.3448 121.2332 58.2206 41.9595 178.6289 139 N 4.7130 8.2810 113.9408 55.4386 38.4747 175.1209 140 Y 4.4990 8.1024 114.0076 57.4603 39.5394 175.7047 141 N 4.6713 8.2306 120.0985 52.3944 39.7042 173.4194 142 P 4.3299 0.0000 0.0000 66.1491 31.2142 178.3747 143 L 4.0320 8.4979 118.8845 57.3761 41.5782 179.2599 144 F 4.2224 8.3381 120.2688 61.2582 39.5347 176.9727 145 I 3.3458 7.7842 119.4378 64.4306 36.9672 178.0424 146 E 4.0726 8.5052 120.3494 59.2744 29.3035 178.8608 147 G 3.9565 7.7437 104.7839 47.0941 0.0000 174.4250 148 I 4.2721 7.0725 112.1796 60.1195 37.9568 175.9834 149 G 3.7373 8.2640 108.3862 46.4275 0.0000 173.7818 150 L 4.2882 7.4734 118.7203 53.3495 42.9058 176.7192 151 T 4.3736 8.8575 112.1962 59.5869 70.7152 174.1144 152 R 3.8084 8.2143 122.0062 57.8959 30.4753 176.3295 153 G 3.8531 8.9850 111.6837 45.9416 0.0000 172.3381 154 Q 4.7318 7.5642 118.8309 53.7412 29.9651 175.6694 155 R 4.1935 8.5154 123.4097 55.4195 30.9696 175.8086 156 I 4.6065 8.1582 116.9111 60.0797 38.4386 176.0111 157 V 3.8906 8.6029 126.1149 64.4143 31.9748 175.9186 158 G 4.2150 7.1608 105.1488 45.9120 0.0000 172.1847 159 I 5.0574 8.2058 122.4956 59.2773 39.8043 174.8347 160 L 4.8541 8.7353 128.3412 54.3472 43.2421 175.4800 161 H 5.1459 9.3379 121.6715 54.2971 30.9920 174.1363 162 I 4.9307 8.1582 123.4228 59.6783 41.5938 174.8443 163 G 4.1240 8.0247 111.1984 46.0213 0.0000 172.0486 164 Y 5.2906 8.0981 117.3414 57.7858 39.5657 175.0101 165 F 5.2101 8.2342 115.0371 55.8591 40.9694 172.4449 166 D 4.2618 8.3275 120.4344 54.3288 41.4736 175.4583 167 K 4.3087 8.1894 118.8965 54.8066 33.7160 176.3132 168 A 4.4619 8.8372 129.9053 51.5755 18.7247 175.3732 169 P 4.4307 0.0000 0.0000 62.2865 32.1137 176.0468 170 E 4.0811 8.5488 121.8342 55.9792 30.2250 177.0091 171 G 3.7487 8.4317 114.5958 45.2311 0.0000 172.8980 172 K 4.2990 8.2860 121.5397 54.2401 33.3513 176.7606 173 A 3.9913 8.5626 126.3804 52.8445 18.7609 176.8227 174 R 4.4154 8.2341 121.0922 54.8152 31.5776 176.4791 175 T 4.0274 8.2411 117.0314 61.0121 68.2863 172.3487 176 P 4.3736 0.0000 0.0000 62.4580 32.1179 177.4722 177 I 3.7839 8.3919 122.5222 63.9091 38.3011 177.9437 178 T 3.8689 7.9326 109.7252 64.5372 68.5595 175.2098 179 E 4.1232 8.1589 121.0224 58.2243 29.7725 177.3883 180 K 4.4476 7.7243 118.8000 55.6255 32.5517 175.9408 *182 E 4.0722 7.9456 117.8024 56.0273 30.7107 174.2220 183 I 4.3794 8.2480 125.4729 59.4875 39.2565 175.1624 184 I 4.3326 8.3272 125.8539 60.0985 37.9232 174.8123 185 E 4.5562 8.3661 123.6301 55.1700 30.1711 176.8158 186 G 3.7758 7.7502 113.7206 46.4760 0.0000 173.5744 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 0 A 8.26 4.18 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *2 T 8.05 4.06 4.30 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 0.87 0.00 0.00 3 T 8.16 4.49 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 1.18 0.00 0.00 4 Y 8.35 4.40 0.00 2.91 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 7.96 4.41 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 1.23 0.00 0.00 6 S 8.36 4.48 0.00 3.92 3.74 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 7 I 8.63 3.68 1.88 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 1.58 1.46 0.92 0.00 0.00 8 A 8.07 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 9 N 8.20 4.33 0.00 3.07 2.93 0.00 0.00 6.68 6.96 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 10 V 7.75 3.70 2.24 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 1.23 0.00 0.00 1.03 0.00 0.00 11 I 7.57 3.59 1.99 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 1.39 0.81 0.88 0.00 0.00 12 K 7.94 4.03 0.00 1.98 1.80 0.00 1.64 0.00 0.00 1.61 0.00 0.00 3.06 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.43 1.45 7.81 13 E 7.28 4.38 0.00 2.35 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 14 R 6.94 2.00 0.00 1.20 1.34 0.00 3.20 0.00 0.00 3.12 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.29 0.00 15 R 5.84 4.44 0.00 1.68 1.65 0.00 3.34 0.00 0.00 3.03 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.74 0.00 16 S 8.40 4.44 0.00 3.82 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 17 V 8.41 4.18 1.91 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 0.32 0.00 0.00 0.38 0.00 0.00 18 R 8.31 4.33 0.00 1.70 1.87 0.00 3.16 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 19 T 7.20 4.43 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 1.22 0.00 0.00 20 F 8.48 5.18 0.00 3.04 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 T 8.73 4.37 4.30 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 1.32 0.00 0.00 22 D 8.54 4.50 0.00 2.68 2.77 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 23 K 7.35 3.81 0.00 2.13 1.84 0.00 1.38 0.00 0.00 0.98 0.00 0.00 2.38 0.00 0.00 2.46 0.00 0.00 0.00 0.00 1.37 1.35 7.81 24 A 8.53 4.11 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 V 8.24 4.33 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 0.77 0.00 0.00 0.75 0.00 0.00 26 E 8.65 4.18 0.00 2.06 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 2.45 2.34 0.00 27 K 8.63 3.93 0.00 1.82 1.81 0.00 1.72 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.52 7.81 28 D 8.12 4.37 0.00 2.74 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 L 7.88 3.94 0.00 1.78 1.88 0.92 0.72 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 30 L 7.64 4.08 0.00 1.86 1.76 0.91 0.96 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 31 I 7.92 3.70 2.02 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 1.41 0.55 0.93 0.00 0.00 32 E 8.37 3.93 0.00 2.21 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 2.33 2.37 0.00 33 L 8.18 4.04 0.00 1.95 1.52 0.73 0.56 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 34 L 8.23 4.03 0.00 1.79 1.80 0.85 0.71 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 35 N 8.33 4.58 0.00 3.05 2.97 0.00 0.00 6.97 8.23 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 36 D 8.30 4.59 0.00 2.88 2.77 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 37 A 8.20 4.07 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 38 T 7.58 3.35 4.18 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 1.25 0.00 0.00 39 W 7.98 4.33 0.00 3.54 3.40 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 40 A 7.59 4.70 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 41 P 0.00 4.49 0.00 2.34 2.31 0.00 3.84 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.07 0.00 42 N 8.53 4.72 0.00 2.66 2.99 0.00 0.00 5.86 7.90 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 43 H 8.93 4.41 0.00 3.24 3.23 0.00 6.02 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 K 9.02 3.73 0.00 1.82 1.77 0.00 1.89 0.00 0.00 1.55 0.00 0.00 2.84 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.88 1.17 7.81 45 H 7.90 4.14 0.00 3.17 3.27 0.00 5.94 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 R 7.59 3.76 0.00 1.58 1.76 0.00 3.26 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 47 E 7.89 2.00 0.00 1.48 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 1.87 1.63 0.00 48 P 0.00 4.03 0.00 1.97 1.93 0.00 2.24 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.73 0.00 49 W 5.67 4.07 0.00 2.70 2.77 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 50 N 8.34 4.95 0.00 1.44 1.87 0.00 0.00 6.63 7.79 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 51 C 8.33 5.32 0.00 2.76 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 52 K 9.50 4.47 0.00 1.77 1.62 0.00 1.53 0.00 0.00 1.55 0.00 0.00 2.78 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.58 7.81 53 L 8.40 4.91 0.00 1.54 1.45 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 9.22 4.69 0.00 2.94 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 55 I 8.30 4.66 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.45 0.90 0.00 0.00 56 G 8.44 3.79 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 0.00 0.00 0.00 57 E 8.83 4.14 0.00 2.19 2.25 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 2.38 2.33 0.00 58 G 8.18 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 59 R 7.96 4.24 0.00 1.98 2.10 0.00 3.25 0.00 0.00 3.37 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.83 0.00 60 K 8.01 4.08 0.00 1.95 1.87 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.52 7.81 61 K 8.00 3.98 0.00 2.29 2.03 0.00 1.75 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.69 7.81 62 L 7.78 3.57 0.00 1.10 1.68 1.10 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 63 V 7.76 3.22 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 0.84 0.00 0.00 0.91 0.00 0.00 64 D 8.15 4.30 0.00 2.93 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 65 A 7.65 3.96 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 66 V 7.94 3.32 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.00 0.00 0.63 0.00 0.00 67 L 7.91 3.52 0.00 1.55 1.61 0.85 0.62 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 68 N 7.73 4.52 0.00 2.69 2.86 0.00 0.00 7.08 7.02 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 69 S 7.53 4.43 0.00 4.16 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 0.00 70 F 6.87 5.53 0.00 3.17 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 71 T 8.48 4.15 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 72 E 8.73 3.95 0.00 2.09 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 2.39 2.48 0.00 73 E 8.05 4.03 0.00 2.03 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 2.38 2.35 0.00 74 E 8.00 3.90 0.00 1.78 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 2.33 1.99 0.00 75 R 8.43 4.15 0.00 2.17 2.25 0.00 3.34 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.75 0.00 76 A 7.75 3.97 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 120 F 7.94 3.83 0.00 2.66 2.70 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 0.00 121 Q 8.15 4.11 0.00 2.32 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.70 0.00 0.00 0.00 0.00 0.00 2.62 2.58 0.00 122 L 7.98 4.03 0.00 1.90 1.71 0.93 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 123 L 8.01 3.98 0.00 1.49 1.58 0.94 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 124 A 8.09 3.83 0.76 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 0.00 0.00 125 W 8.14 4.25 0.00 3.61 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 0.00 126 E 8.05 4.02 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 127 R 7.85 4.38 0.00 1.89 1.96 0.00 3.39 0.00 0.00 3.20 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.72 0.00 128 G 7.71 3.74 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 0.00 0.00 0.00 129 L 7.59 4.25 0.00 1.62 1.45 0.74 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 130 G 9.33 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 0.00 0.00 0.00 0.00 131 C 8.42 6.19 0.00 3.20 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 0.00 132 V 8.59 4.75 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 1.10 0.00 0.00 1.15 0.00 0.00 133 W 9.00 5.18 0.00 3.47 2.93 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 0.00 134 K 9.60 4.81 0.00 2.05 1.84 0.00 1.59 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.44 1.49 7.81 135 S 8.76 5.34 0.00 4.04 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 0.00 136 G 9.71 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 0.00 137 G 9.07 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 L 8.34 3.94 0.00 1.74 1.65 0.39 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 139 N 8.28 4.71 0.00 3.06 2.78 0.00 0.00 6.93 7.57 0.00 0.00 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 Y 8.10 4.50 0.00 3.09 3.08 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 0.00 141 N 8.23 4.67 0.00 3.06 3.02 0.00 0.00 6.84 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 P 0.00 4.33 0.00 2.33 2.34 0.00 3.84 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 143 L 8.50 4.03 0.00 1.97 1.80 0.97 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 144 F 8.34 4.22 0.00 3.00 3.35 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 0.00 145 I 7.78 3.35 1.98 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 1.37 0.68 0.81 0.00 0.00 146 E 8.51 4.07 0.00 2.03 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 2.25 2.28 0.00 147 G 7.74 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 0.00 148 I 7.07 4.27 1.79 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.40 0.45 0.00 0.00 149 G 8.26 3.74 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 0.00 0.00 0.00 150 L 7.47 4.29 0.00 1.57 1.38 0.16 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 151 T 8.86 4.37 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 1.21 0.00 0.00 152 R 8.21 3.81 0.00 1.79 1.88 0.00 3.31 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 153 G 8.98 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 0.00 154 Q 7.56 4.73 0.00 2.06 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.36 6.78 0.00 0.00 0.00 0.00 0.00 2.50 2.41 0.00 155 R 8.52 4.19 0.00 1.97 2.00 0.00 3.41 0.00 0.00 3.59 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.69 0.00 156 I 8.16 4.61 1.98 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.60 0.98 0.00 0.00 157 V 8.60 3.89 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 0.44 0.00 0.00 0.82 0.00 0.00 158 G 7.16 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 0.00 159 I 8.21 5.06 2.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.01 0.94 0.00 0.00 160 L 8.74 4.85 0.00 1.41 1.56 0.36 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 161 H 9.34 5.15 0.00 3.13 3.13 0.00 5.58 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 I 8.16 4.93 1.78 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.74 0.91 0.00 0.00 163 G 8.02 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 0.00 164 Y 8.10 5.29 0.00 3.06 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 0.00 165 F 8.23 5.21 0.00 3.10 3.02 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 0.00 166 D 8.33 4.26 0.00 2.69 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.19 4.31 0.00 1.82 1.78 0.00 1.93 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.41 7.81 168 A 8.84 4.46 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 P 0.00 4.43 0.00 2.02 1.98 0.00 3.72 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.04 0.00 170 E 8.55 4.08 0.00 1.91 1.85 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 2.29 2.37 0.00 171 G 8.43 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 0.00 172 K 8.29 4.30 0.00 1.72 1.72 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.39 7.81 173 A 8.56 3.99 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 0.00 174 R 8.23 4.42 0.00 1.79 1.84 0.00 3.35 0.00 0.00 3.12 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.51 0.00 175 T 8.24 4.03 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 1.20 0.00 0.00 176 P 0.00 4.37 0.00 2.21 1.95 0.00 3.86 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.06 0.00 177 I 8.39 3.78 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 1.47 1.47 0.91 0.00 0.00 178 T 7.93 3.87 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 0.00 179 E 8.16 4.12 0.00 2.23 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 2.34 2.27 0.00 180 K 7.72 4.45 0.00 1.71 1.78 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.48 7.81 *182 E 7.95 4.07 0.00 1.95 1.89 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 2.19 2.34 0.00 183 I 8.25 4.38 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 1.42 0.77 0.95 0.00 0.00 184 I 8.33 4.33 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 1.42 0.48 0.96 0.00 0.00 185 E 8.37 4.56 0.00 1.93 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 2.22 2.27 0.00 186 G 7.75 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.