NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.2316 8.4293 121.4655 55.0642 29.9504 175.1943 3 P 4.4364 0.0000 0.0000 61.7841 32.4231 174.4606 4 I 3.5825 7.7756 120.7586 62.3767 37.8283 177.5904 5 T 4.2869 8.4675 116.6671 61.1244 70.3747 175.6987 6 Q 3.9779 8.7989 122.9404 58.8874 29.1094 177.7705 7 A 4.0126 8.1803 121.7494 55.4750 18.2557 179.1767 8 F 3.8511 8.1098 118.0441 61.3149 39.5212 177.2132 9 A 3.9614 8.2030 120.4911 55.2278 18.0874 179.7360 10 Q 4.1052 8.2435 116.5456 59.2218 28.9015 178.6689 11 Q 3.8329 7.9473 120.6381 58.8286 28.9964 177.7889 12 F 3.7608 7.9989 122.0919 61.3010 39.2665 177.1905 13 S 3.4004 7.7605 114.5607 61.4040 62.5376 176.8124 14 R 3.3798 7.4299 121.3021 59.1905 29.6726 178.4697 15 E 3.8379 7.9046 118.4628 58.8576 29.4382 179.1145 16 W 3.6931 7.7461 128.7473 60.3117 30.6589 178.0910 17 I 3.6051 7.8005 120.0029 64.6254 36.5486 178.2459 18 D 4.2371 8.0057 119.3704 57.0668 40.6131 178.8016 19 A 3.7741 8.0301 121.6740 54.7619 18.2771 179.6315 20 W 3.4878 7.4721 117.4153 59.9320 28.7995 178.6227 21 N 4.1325 7.9557 114.7867 55.7251 38.0271 176.6288 22 A 4.0137 7.7978 119.9959 51.9372 19.1129 176.5869 23 H 3.8757 7.8080 113.7584 56.9948 27.0275 175.5724 24 D 4.6379 7.3205 119.4917 51.9172 40.9867 175.7247 25 L 3.6801 8.0718 127.4665 57.6124 42.3666 177.5517 26 D 4.2791 8.0689 117.3418 57.3386 40.9044 178.0768 27 A 3.9348 7.9255 120.0564 55.0602 18.7421 179.2073 28 I 3.6681 7.6356 118.4539 64.7708 37.2204 178.7773 29 L 4.4031 8.3115 119.5996 57.3627 41.1977 179.5145 30 S 4.2683 7.7478 113.1651 61.1738 63.0392 175.3766 31 H 4.5972 8.4240 118.5447 55.9810 28.8963 173.8604 32 Y 5.0598 7.4401 118.3736 55.8059 40.1127 175.7542 33 A 4.4360 9.0289 124.9296 51.5352 20.0673 176.7726 34 D 4.3762 8.8544 119.7882 55.5000 41.5155 176.9934 35 G 3.9177 9.0400 109.7883 46.0796 0.0000 173.5888 36 F 4.6688 8.0810 115.0080 57.2987 39.2209 175.0124 37 E 4.5074 8.9705 120.7523 55.1400 32.7094 174.3224 *39 S 4.7391 8.3139 113.4746 58.8875 63.3260 173.1608 40 S 4.9120 8.9832 120.0761 56.4025 65.9139 173.9752 41 P 4.1847 0.0000 0.0000 62.2286 30.4694 178.5669 *43 I 3.9355 7.8735 120.1448 61.4306 39.1428 178.6666 44 V 3.8378 7.5147 118.4348 66.1492 31.0640 178.2379 45 Q 3.8524 7.6669 115.8047 59.1110 28.7131 178.1691 46 I 4.0397 7.5501 118.5416 63.9385 37.7686 177.8984 47 A 4.2910 7.0320 122.2440 52.2687 18.2680 177.6273 48 G 3.6883 7.4621 104.7293 46.6441 0.0000 173.5065 49 E 4.4504 7.8582 121.3276 53.2410 30.0456 174.2501 50 P 4.2941 0.0000 0.0000 65.5148 31.5611 178.3345 51 S 4.1077 8.2825 111.6251 59.2407 63.3612 175.1302 52 G 3.8945 8.5794 109.3948 45.8565 0.0000 172.7350 53 R 4.8329 7.6423 116.9613 53.9764 32.6362 175.2489 54 L 4.8353 8.0628 119.8814 52.9957 45.7983 175.8085 55 R 4.3713 8.7350 119.6273 55.7660 33.2067 176.0315 56 G 3.9820 8.4477 109.1817 45.4704 0.0000 174.6953 57 K 4.0167 8.4177 118.8495 59.1668 32.8091 179.5720 58 E 3.8403 8.2236 119.0016 59.2551 29.1951 178.5386 59 Q 3.8360 7.7551 118.9657 59.2895 29.3538 178.0471 60 V 3.2992 7.8057 119.7649 65.7071 31.4637 178.0907 61 G 3.5822 7.8824 105.3482 47.6852 0.0000 175.3761 62 A 3.9799 7.9112 122.9303 55.2165 17.9452 179.4423 63 Y 3.9457 7.5007 114.7954 61.0880 37.9855 178.5958 64 W 4.7965 8.3918 119.9947 59.8048 29.2120 178.4325 65 R 3.9265 8.7276 119.1677 59.6586 29.3064 178.2752 66 E 3.9902 8.0817 117.3223 58.9171 29.6669 178.0629 67 A 4.2823 8.4846 120.7572 55.4818 18.6262 179.4200 68 L 4.1529 8.2986 117.3443 57.5728 41.3532 179.2546 69 R 4.2001 7.4337 114.8295 56.7106 31.2425 177.0921 *71 I 4.0291 7.4297 118.5987 60.5114 37.4736 174.3644 72 P 4.5282 0.0000 0.0000 64.0269 31.9466 177.6392 73 D 5.0089 7.6345 118.9897 53.1468 41.6065 176.0080 74 L 4.0539 7.5153 120.7256 56.1024 42.7167 175.5828 75 H 4.9516 8.5946 123.6156 55.1053 33.4098 171.6374 76 F 5.6035 9.3915 124.7332 55.8445 41.4581 174.4676 77 E 4.6873 9.2465 124.5684 54.1629 31.3767 174.5879 78 W 4.8740 9.1048 135.0000 58.1580 30.8709 175.0019 79 I 4.2427 9.1339 128.3716 62.7828 37.5601 175.8271 80 A 4.5733 7.7823 121.1101 51.1602 22.7079 174.4815 81 T 5.3976 8.6162 115.1003 61.9014 72.2385 173.7021 82 L 4.9820 9.2287 124.6311 52.9017 45.7772 175.1773 83 A 5.0361 8.8096 124.1512 50.2029 20.8023 177.0373 84 G 4.2189 8.9839 111.8117 45.3679 0.0000 174.2493 85 V 3.7433 8.4890 118.9797 65.5993 32.0924 177.7196 86 D 5.0011 8.0739 116.6855 52.7113 41.0424 174.3104 87 S 5.4221 8.0402 112.5408 57.2992 67.1781 172.5703 88 V 4.9706 9.0902 120.2432 61.1178 34.8408 173.9182 89 A 5.2924 9.3220 128.9811 50.3332 21.5617 175.0170 90 I 4.8847 9.0818 124.5376 60.0826 39.5869 174.1988 91 H 5.4998 9.5734 128.2733 54.7486 31.7671 173.0340 92 Y 5.3157 8.7088 122.6926 56.1153 42.1350 173.2433 93 R 4.7403 9.1791 121.6099 54.7224 31.8364 176.6364 94 G 4.1755 9.4843 116.5047 44.6724 0.0000 173.8006 95 A 4.6089 8.9373 121.1538 53.9041 18.2454 178.7185 96 K 4.4972 8.3432 112.6384 56.2300 32.6577 177.1907 97 G 4.0150 8.2137 107.7091 44.9788 0.0000 174.7989 98 R 4.1499 7.5652 118.7373 56.0130 31.6056 175.4778 99 L 4.5652 8.7584 124.3120 54.7120 43.5206 175.4824 100 A 4.7693 8.7513 126.6558 50.1408 23.2249 175.2120 101 L 4.6526 8.3366 122.2165 54.1439 45.2345 173.9852 102 E 4.8477 9.2479 128.6848 54.2334 32.1418 174.4897 103 V 4.6605 8.3493 127.1277 61.1489 34.0286 174.1776 104 F 5.0808 9.3567 126.4660 56.0395 41.8980 173.7487 105 H 5.1684 9.3831 121.7035 54.4704 30.5322 174.4005 106 F 4.9553 9.2023 121.7546 55.9618 41.8262 175.8536 107 G 4.2389 8.6307 110.8454 43.3536 0.0000 172.2477 108 P 4.1633 0.0000 0.0000 66.4516 30.6901 177.7932 109 D 4.6379 8.3011 117.2528 53.4314 39.5826 179.4345 110 R 4.0417 7.8607 115.3357 58.0637 27.4625 180.0437 111 R 4.9799 7.2710 117.4477 54.9981 32.9577 175.4163 112 V 3.6015 8.2220 120.4279 63.0860 31.8032 176.8269 113 V 4.5438 8.8878 121.5492 62.2071 33.7855 175.9076 114 K 5.2412 7.8076 120.9463 55.1532 35.5434 174.4272 115 A 5.2283 9.4155 128.7300 50.2353 22.5209 175.2128 116 L 4.9290 8.7859 120.2042 52.9646 45.4985 175.7194 117 A 4.7018 8.8180 126.0929 51.0749 20.7691 176.1031 118 H 4.7893 8.0477 115.8745 54.4152 33.4066 172.2941 119 Y 5.3702 8.4329 117.5882 56.6894 42.3495 173.8539 120 A 4.5798 9.0986 121.8376 51.4298 23.6562 176.9825 121 G 3.9762 8.6986 106.7783 45.9202 0.0000 173.7204 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 2 E 8.43 4.23 0.00 1.91 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.28 0.00 3 P 0.00 4.44 0.00 2.19 2.05 0.00 3.84 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 1.98 2.06 0.00 4 I 7.78 3.58 1.86 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.00 0.94 0.00 0.00 5 T 8.47 4.29 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 1.21 0.00 0.00 6 Q 8.80 3.98 0.00 2.22 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.46 2.54 0.00 7 A 8.18 4.01 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 8 F 8.11 3.85 0.00 3.07 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 A 8.20 3.96 1.43 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 0.00 0.00 10 Q 8.24 4.11 0.00 2.17 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.76 0.00 0.00 0.00 0.00 0.00 2.63 2.61 0.00 11 Q 7.95 3.83 0.00 2.19 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.79 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 12 F 8.00 3.76 0.00 2.21 2.75 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 13 S 7.76 3.40 0.00 3.33 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 14 R 7.43 3.38 0.00 1.77 1.75 0.00 3.27 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.77 0.00 15 E 7.90 3.84 0.00 1.81 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 0.00 2.25 2.37 0.00 16 W 7.75 3.69 0.00 2.11 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.80 3.61 1.74 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.35 0.95 0.00 0.00 18 D 8.01 4.24 0.00 2.79 2.63 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 19 A 8.03 3.77 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 20 W 7.47 3.49 0.00 2.84 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 0.00 0.00 0.00 0.00 21 N 7.96 4.13 0.00 2.64 2.81 0.00 0.00 7.08 7.19 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 22 A 7.80 4.01 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 23 H 7.81 3.88 0.00 3.19 3.28 0.00 5.63 0.00 0.00 0.00 0.00 8.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 D 7.32 4.64 0.00 2.55 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 0.00 0.00 0.00 0.00 25 L 8.07 3.68 0.00 1.69 1.59 0.99 1.21 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 26 D 8.07 4.28 0.00 2.80 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 27 A 7.93 3.93 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 I 7.64 3.67 1.64 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 -0.02 0.44 0.56 0.00 0.00 29 L 8.31 4.40 0.00 1.83 1.83 0.97 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 30 S 7.75 4.27 0.00 4.02 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 31 H 8.42 4.60 0.00 3.49 3.57 0.00 5.57 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 7.44 5.06 0.00 2.76 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 0.00 0.00 0.00 33 A 9.03 4.44 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 34 D 8.85 4.38 0.00 2.65 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 35 G 9.04 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 36 F 8.08 4.67 0.00 3.28 3.54 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 37 E 8.97 4.51 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 2.25 2.26 0.00 *39 S 8.31 4.74 0.00 3.93 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 40 S 8.98 4.91 0.00 3.98 3.72 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 41 P 0.00 4.18 0.00 2.34 2.11 0.00 3.89 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.16 0.00 *43 I 7.87 3.94 2.13 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 1.08 0.76 0.78 0.00 0.00 44 V 7.51 3.84 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 1.03 0.00 0.00 1.05 0.00 0.00 45 Q 7.67 3.85 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.70 0.00 0.00 0.00 0.00 0.00 2.58 2.52 0.00 46 I 7.55 4.04 1.86 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.50 1.07 0.00 0.00 47 A 7.03 4.29 0.96 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 48 G 7.46 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 0.00 0.00 0.00 49 E 7.86 4.45 0.00 2.00 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 0.00 2.48 2.48 0.00 50 P 0.00 4.29 0.00 2.07 2.11 0.00 3.72 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 51 S 8.28 4.11 0.00 3.96 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 52 G 8.58 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 0.00 0.00 0.00 53 R 7.64 4.83 0.00 1.75 1.78 0.00 3.09 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.72 0.00 54 L 8.06 4.84 0.00 1.41 1.36 0.55 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 55 R 8.74 4.37 0.00 1.58 1.61 0.00 3.22 0.00 0.00 3.18 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.70 0.00 56 G 8.45 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 57 K 8.42 4.02 0.00 1.89 1.94 0.00 1.79 0.00 0.00 1.86 0.00 0.00 3.15 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.87 1.66 7.81 58 E 8.22 3.84 0.00 2.00 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 2.33 2.33 0.00 59 Q 7.76 3.84 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.69 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 60 V 7.81 3.30 1.49 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 -0.23 0.00 0.00 0.40 0.00 0.00 61 G 7.88 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.91 3.98 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 63 Y 7.50 3.95 0.00 3.12 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 W 8.39 4.80 0.00 3.58 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 R 8.73 3.93 0.00 1.97 2.15 0.00 3.07 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 1.65 0.00 66 E 8.08 3.99 0.00 2.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 67 A 8.48 4.28 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 L 8.30 4.15 0.00 1.86 1.69 0.81 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 69 R 7.43 4.20 0.00 1.97 2.11 0.00 3.29 0.00 0.00 3.45 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 *71 I 7.43 4.03 1.97 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.91 0.97 0.00 0.00 72 P 0.00 4.53 0.00 2.15 2.15 0.00 3.32 0.00 0.00 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 73 D 7.63 5.01 0.00 2.67 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 74 L 7.52 4.05 0.00 1.78 1.55 0.96 0.08 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 75 H 8.59 4.95 0.00 3.29 3.16 0.00 5.87 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 F 9.39 5.60 0.00 2.69 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 E 9.25 4.69 0.00 2.17 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 2.33 2.35 0.00 78 W 9.10 4.87 0.00 3.33 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 79 I 9.13 4.24 1.95 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.92 0.92 0.00 0.00 80 A 7.78 4.57 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 81 T 8.62 5.40 4.63 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 1.41 0.00 0.00 82 L 9.23 4.98 0.00 1.62 1.53 0.97 0.97 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 83 A 8.81 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 84 G 8.98 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 V 8.49 3.74 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 1.02 0.00 0.00 0.94 0.00 0.00 86 D 8.07 5.00 0.00 2.78 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 87 S 8.04 5.42 0.00 3.80 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 88 V 9.09 4.97 2.28 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 0.99 0.00 0.00 0.98 0.00 0.00 89 A 9.32 5.29 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 90 I 9.08 4.88 1.95 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.84 0.95 0.00 0.00 91 H 9.57 5.50 0.00 3.24 3.41 0.00 5.79 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 Y 8.71 5.32 0.00 3.23 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 93 R 9.18 4.74 0.00 1.92 1.94 0.00 3.12 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 94 G 9.48 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 0.00 0.00 0.00 0.00 95 A 8.94 4.61 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.34 4.50 0.00 1.72 1.79 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.37 1.34 7.81 97 G 8.21 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 R 7.57 4.15 0.00 1.78 1.91 0.00 2.73 0.00 0.00 2.81 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.55 0.00 99 L 8.76 4.57 0.00 1.77 1.52 0.86 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 100 A 8.75 4.77 0.10 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 0.00 0.00 101 L 8.34 4.65 0.00 1.55 1.33 0.78 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 102 E 9.25 4.85 0.00 2.07 1.48 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 1.47 2.03 0.00 103 V 8.35 4.66 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 0.90 0.00 0.00 0.86 0.00 0.00 104 F 9.36 5.08 0.00 2.67 2.29 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 0.00 105 H 9.38 5.17 0.00 3.09 3.21 0.00 5.58 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 F 9.20 4.96 0.00 2.82 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 0.00 107 G 8.63 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 0.00 0.00 0.00 0.00 108 P 0.00 4.16 0.00 2.07 2.14 0.00 3.71 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 109 D 8.30 4.64 0.00 2.60 2.63 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 0.00 110 R 7.86 4.04 0.00 2.02 1.90 0.00 3.19 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.45 0.00 111 R 7.27 4.98 0.00 2.12 1.97 0.00 3.30 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 112 V 8.22 3.60 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 0.98 0.00 0.00 0.19 0.00 0.00 113 V 8.89 4.54 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 0.68 0.00 0.00 1.02 0.00 0.00 114 K 7.81 5.24 0.00 1.83 1.62 0.00 1.64 0.00 0.00 1.72 0.00 0.00 2.80 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.45 1.50 7.81 115 A 9.42 5.23 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 0.00 116 L 8.79 4.93 0.00 1.55 1.42 1.02 1.03 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 0.00 117 A 8.82 4.70 1.19 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 0.00 0.00 118 H 8.05 4.79 0.00 2.96 3.02 0.00 5.76 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 Y 8.43 5.37 0.00 2.80 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 0.00 120 A 9.10 4.58 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 0.00 121 G 8.70 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 * Residues marked with a * may have inaccurate shift predictions.