NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 4.1628 8.0249 120.7873 60.8278 39.1818 174.6746 3 Q 4.5242 8.4090 124.4729 52.3471 32.2736 173.2846 4 S 4.9478 9.1077 116.0696 56.7719 67.2094 173.0679 5 Q 4.5888 8.7357 121.3559 54.8212 29.9762 175.9188 6 I 4.4367 8.1580 111.0198 60.0217 38.8580 174.6985 7 N 4.8980 7.8552 120.3711 51.1424 40.6988 174.8330 8 R 4.0587 8.5700 123.3543 59.0088 29.4217 178.3172 9 N 4.3692 9.2757 117.9958 55.8618 38.4472 177.2458 10 I 3.6810 7.3879 120.7278 64.6449 37.2292 178.6006 11 R 4.0448 7.8923 118.1045 58.9180 30.1548 178.8909 12 L 4.1050 8.1772 119.1106 57.6662 41.5311 179.1802 13 D 4.3655 8.4492 119.4387 57.2032 40.6879 178.4807 14 L 3.9347 7.9677 120.6209 57.9594 41.9800 178.6530 15 A 4.1346 8.4141 121.2020 55.5568 18.2733 179.3775 16 D 4.2904 8.0904 116.6962 57.4861 40.8817 178.9492 17 A 4.0283 8.0680 121.3350 55.0286 18.2597 179.7649 18 I 3.6530 8.1850 118.8132 64.6703 37.2576 178.7413 19 L 3.9902 8.2777 120.0656 57.5292 41.3264 179.3943 20 L 3.9747 7.9811 120.6320 57.9661 42.0160 178.8966 21 S 4.0372 8.0933 113.2282 61.1738 62.3686 175.9786 22 K 3.7952 8.3266 122.4256 59.5230 31.9153 178.6358 23 A 3.9618 8.0372 120.9481 55.0922 18.0720 179.7209 24 K 3.9383 8.0286 116.1472 59.2421 32.2176 178.8430 25 K 4.1947 7.9171 115.9434 55.6028 32.4380 176.1060 26 D 4.3429 7.7258 117.7402 54.9480 40.2424 173.4396 27 L 4.3067 7.6863 115.8938 53.8198 42.8409 177.4486 28 S 4.6072 8.0322 116.0105 57.0205 66.3602 175.3925 29 F 4.2017 8.3572 121.5763 60.6896 38.7132 177.8174 30 A 4.0700 8.0983 120.0530 55.2015 18.0485 179.1559 31 E 4.6282 8.2220 118.4406 59.0103 29.7617 178.7539 32 I 3.8439 7.8029 119.0210 64.3185 37.5811 177.9428 33 A 4.2333 8.3008 121.4573 53.4169 18.5630 177.3595 34 D 4.4382 7.7115 117.4044 56.5756 41.2608 178.1901 35 G 4.0527 9.0313 111.8064 45.7866 0.0000 174.0127 36 T 4.0758 7.6853 115.0990 63.7594 68.9140 176.1595 37 G 3.9544 8.3343 108.0782 45.4515 0.0000 172.9956 38 L 4.7599 7.4541 117.5477 51.7626 45.1844 176.8803 39 A 4.2204 8.3452 123.3646 51.9682 20.3474 178.8740 40 E 3.9565 8.8282 120.7986 59.5196 29.6485 179.5775 41 A 3.9121 7.9496 121.3304 54.7384 18.4989 179.2896 42 F 3.8460 8.1218 118.7827 61.3754 39.6298 177.4775 43 V 3.6029 8.1119 117.9942 66.3323 31.3372 178.1111 44 T 3.7887 8.1129 115.3689 66.4886 68.2232 176.4733 45 A 3.8263 7.8095 122.4663 54.9974 18.3605 179.5345 46 A 4.2437 7.6467 120.5317 54.8158 18.2170 179.7927 47 L 4.0069 7.8317 116.4046 57.5282 41.7123 178.7639 48 L 4.5216 7.6359 116.4556 54.3572 41.7211 177.3968 49 G 3.9224 8.1169 107.0545 45.5902 0.0000 174.3553 50 Q 4.5181 8.2573 116.0831 55.4162 29.8566 174.8017 51 Q 4.6058 7.4387 116.0451 54.4607 33.8350 172.9206 52 A 4.9743 8.4657 121.6998 50.4095 21.1735 176.3443 53 L 4.6700 8.7010 121.9546 52.8635 43.6346 175.2829 54 P 4.3362 0.0000 0.0000 62.3521 32.2863 177.2271 55 A 4.0019 8.7402 122.3718 55.7956 18.1964 180.0817 56 D 4.2819 8.0968 116.5282 57.2562 40.8770 178.7232 57 A 3.9905 7.9934 120.7473 54.9828 18.4945 179.2582 58 A 3.9509 8.2774 119.5555 55.5743 18.4153 180.1448 59 R 3.8894 8.2739 116.7508 59.0774 30.0811 179.1503 60 L 3.9286 7.9586 120.1735 58.4375 42.2291 179.5839 61 V 3.8043 8.1860 112.6957 64.1530 31.3220 178.8138 62 G 3.6347 8.3486 105.5903 47.6783 0.0000 175.6104 63 A 4.0103 8.2775 123.3152 55.0025 18.2158 179.9773 64 K 3.9891 7.9652 115.7693 58.5842 32.1615 178.5645 65 L 4.4660 7.6023 116.4186 53.1091 42.5088 175.5355 66 D 4.3590 7.6708 117.1976 55.1150 40.0781 173.5791 67 L 4.3563 8.0174 117.0884 53.8365 42.9903 177.5872 68 D 4.7202 8.2517 121.6590 52.6653 42.0269 177.3220 69 E 3.9794 8.5559 118.5302 59.6926 29.2935 179.3677 70 D 4.3773 8.0436 118.4918 57.3355 40.9252 178.8751 71 S 4.1312 8.7016 116.1171 61.6315 62.6355 176.6444 72 I 3.7289 7.6767 121.4785 64.3033 37.0951 177.9475 73 L 4.2401 8.1412 121.2211 58.1524 41.7170 179.0199 74 L 4.0305 8.0914 118.3866 57.7739 41.7654 179.2758 75 L 4.1512 8.0937 118.6924 56.7308 42.5645 177.4075 76 Q 4.7664 7.4143 119.4624 53.7732 27.3754 174.9664 *78 I 4.0839 7.3164 119.2247 60.4020 39.2258 174.9951 79 P 4.6853 0.0000 0.0000 62.3300 32.8304 176.1495 80 L 4.3580 8.2888 123.2264 54.0024 41.6393 176.4439 81 R 4.1989 8.3421 125.1680 55.7636 30.9112 175.1653 82 G 3.0044 8.1599 107.5770 45.0332 0.0000 173.3555 83 C 4.3037 8.0847 122.0267 58.6537 30.6908 174.4015 84 I 4.0770 7.4450 122.1384 60.3839 37.6602 174.9329 85 D 4.4715 8.8831 125.5175 57.1225 41.5226 176.5672 86 D 4.6371 7.3288 115.4940 53.1123 41.5475 173.7479 87 R 4.3103 8.2524 126.8486 56.3125 29.1697 176.9882 88 I 4.0875 7.1616 116.0084 58.2993 39.1456 173.9796 89 P 4.4453 0.0000 0.0000 62.9425 31.8080 176.3873 90 T 4.2431 8.2774 110.7737 62.8501 69.8718 174.9738 91 D 4.5010 7.9866 121.9861 53.2343 42.1283 173.8020 92 P 4.5056 0.0000 0.0000 66.3403 31.5002 179.0139 93 T 3.8813 7.5859 108.9472 64.7779 67.8870 174.4211 *95 Y 4.6383 7.9240 125.1818 57.7169 40.4377 177.3269 96 R 3.9983 8.1368 117.8008 59.2976 30.0596 178.7472 97 F 4.1972 8.0218 116.4067 60.4514 39.1757 176.5945 98 Y 4.0827 7.8923 118.9580 60.1229 38.8812 178.4109 99 E 4.0253 8.0336 122.8381 55.5583 29.3766 178.6065 *101 L 4.2174 7.9236 118.8357 54.6655 43.8545 179.6517 102 Q 3.8125 7.6049 116.4697 58.4899 28.5004 178.5646 103 V 3.6944 7.6391 118.3888 64.8499 32.1679 176.7470 104 Y 4.6849 7.5458 113.1973 57.5572 38.6747 177.6444 105 G 3.6585 8.2333 109.0566 48.0895 0.0000 176.1516 106 T 4.0281 7.8341 111.6262 64.5700 68.8719 176.8252 107 T 3.9501 7.8152 118.4880 66.3110 68.4916 176.5287 108 L 4.0036 8.5505 121.4320 57.5489 41.6687 179.3134 109 K 3.7745 8.1354 119.2336 59.4604 32.1231 178.4439 110 A 4.0394 8.1504 120.9608 55.4906 18.2834 179.7215 111 L 3.9933 8.3602 117.7484 57.6385 41.6075 179.8940 112 V 3.8419 8.1314 118.6955 66.4711 31.0713 177.8838 113 H 4.9782 8.2504 117.3034 58.4094 28.2949 177.4523 114 E 3.9518 8.2508 120.4010 59.2034 29.5723 178.6256 115 K 3.9653 8.2918 117.6539 57.8430 32.2447 177.8749 116 F 4.2841 8.9343 115.3140 61.0436 41.4294 175.3106 117 G 3.8761 7.3544 103.1671 43.9199 0.0000 172.2852 118 D 4.6429 8.5557 119.3502 54.8597 42.2212 175.8778 119 G 4.0750 8.0877 109.4451 44.9395 0.0000 172.4980 120 I 4.7918 8.2713 113.0926 59.2400 41.7876 174.3914 121 I 4.6261 8.0895 123.3376 59.7354 38.0794 175.9900 122 S 4.1951 9.1268 123.0533 58.3078 62.8392 173.6609 123 A 3.9585 8.4465 127.8392 51.9716 19.1046 176.8447 124 I 4.3286 7.9973 116.8223 63.6779 39.2849 176.9583 125 N 4.7822 7.8318 122.6057 52.1884 37.6487 171.9900 126 F 5.3885 7.9979 122.7455 56.4324 42.9036 172.6193 127 K 4.5983 8.1258 124.0040 54.9754 36.2108 174.8868 128 L 5.7153 8.3309 120.1912 53.2825 43.9870 174.9442 129 D 4.8116 8.3666 117.7452 51.9848 43.1934 173.7983 130 V 4.8248 8.3606 119.7586 61.0492 33.7675 174.4567 131 K 4.6484 9.0250 128.9268 54.4177 35.3220 174.3433 132 K 4.8811 8.6753 128.2350 55.5453 33.3487 175.8080 133 V 4.7071 8.7350 119.5705 59.0977 36.1552 174.9012 134 A 4.5140 8.5246 123.8100 51.9761 19.3953 176.6786 135 D 4.5957 8.8151 121.0626 52.5633 41.9544 176.0599 136 P 4.2929 0.0000 0.0000 65.2014 31.5098 177.1383 137 E 4.1225 8.4549 116.5416 56.1187 29.7952 176.2789 138 G 3.9881 8.6644 108.4661 45.5102 0.0000 174.6413 139 G 3.8707 9.6536 109.2072 43.8316 0.0000 171.5919 140 E 5.1883 8.2636 116.5909 54.8102 33.7387 175.3441 141 R 4.8220 9.3186 120.2575 54.4143 34.5535 174.1001 142 A 5.0171 8.5769 123.0110 50.5679 21.0095 176.7086 143 V 4.1821 8.8492 123.1655 61.4296 33.3940 174.5129 144 I 4.8081 8.3804 129.5458 60.0671 38.8717 175.4320 145 T 4.4570 8.6809 125.0983 62.0928 70.1516 173.8994 146 L 4.6739 8.5431 127.0664 53.3620 43.3457 175.9382 147 D 4.6718 8.5659 124.3031 52.1688 42.9313 174.2289 148 G 4.6768 8.4467 111.1852 43.5999 0.0000 170.2679 149 K 4.3292 8.8302 123.7063 56.2105 33.5858 175.2579 150 Y 4.8212 8.5664 128.3766 57.2442 39.7973 174.1770 151 L 4.4858 8.3666 127.0130 51.9647 44.2428 174.3558 152 P 4.5263 0.0000 0.0000 62.8391 32.3682 175.9739 153 T 4.4900 8.6488 119.1341 62.3636 69.6789 174.2463 154 K 4.6326 8.4800 125.4591 53.4163 35.3476 174.5928 155 P 4.3690 0.0000 0.0000 62.8931 31.9535 176.6992 156 F 4.5111 7.6312 114.4312 57.2331 37.9071 174.4090 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 I 8.02 4.16 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 1.42 1.36 0.91 0.00 0.00 3 Q 8.41 4.52 0.00 2.11 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.65 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 4 S 9.11 4.95 0.00 3.90 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 5 Q 8.74 4.59 0.00 2.12 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.74 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 6 I 8.16 4.44 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 0.66 0.91 0.00 0.00 7 N 7.86 4.90 0.00 2.76 2.68 0.00 0.00 6.96 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 8 R 8.57 4.06 0.00 2.06 2.27 0.00 3.12 0.00 0.00 3.32 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 9 N 9.28 4.37 0.00 2.83 2.90 0.00 0.00 6.83 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 10 I 7.39 3.68 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 1.52 1.12 0.91 0.00 0.00 11 R 7.89 4.04 0.00 1.81 1.95 0.00 3.28 0.00 0.00 3.51 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.64 0.00 12 L 8.18 4.11 0.00 1.68 1.71 0.91 0.87 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 13 D 8.45 4.37 0.00 2.88 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.97 3.93 0.00 1.78 1.83 0.92 1.28 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 15 A 8.41 4.13 1.42 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 16 D 8.09 4.29 0.00 2.89 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 17 A 8.07 4.03 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 18 I 8.18 3.65 2.05 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.84 0.95 0.00 0.00 19 L 8.28 3.99 0.00 1.84 1.74 0.99 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.98 3.97 0.00 1.77 1.79 0.92 0.88 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 21 S 8.09 4.04 0.00 3.94 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 22 K 8.33 3.80 0.00 1.82 1.87 0.00 1.13 0.00 0.00 1.17 0.00 0.00 2.18 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.20 1.22 7.81 23 A 8.04 3.96 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 24 K 8.03 3.94 0.00 1.85 1.88 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.57 7.81 25 K 7.92 4.19 0.00 1.70 1.82 0.00 1.93 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.49 7.81 26 D 7.73 4.34 0.00 2.75 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 27 L 7.69 4.31 0.00 1.71 1.44 0.91 0.54 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 28 S 8.03 4.61 0.00 4.05 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 29 F 8.36 4.20 0.00 3.13 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 30 A 8.10 4.07 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 31 E 8.22 4.63 0.00 1.96 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 2.32 2.21 0.00 32 I 7.80 3.84 2.06 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.70 0.96 0.00 0.00 33 A 8.30 4.23 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.71 4.44 0.00 3.00 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 35 G 9.03 4.05 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 0.00 36 T 7.69 4.08 4.53 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 1.31 0.00 0.00 37 G 8.33 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 38 L 7.45 4.76 0.00 1.69 1.63 1.02 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 39 A 8.35 4.22 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 40 E 8.83 3.96 0.00 2.25 2.27 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 2.38 2.39 0.00 41 A 7.95 3.91 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 42 F 8.12 3.85 0.00 3.18 3.22 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 43 V 8.11 3.60 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 1.04 0.00 0.00 1.07 0.00 0.00 44 T 8.11 3.79 4.06 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 0.38 0.00 0.00 45 A 7.81 3.83 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 46 A 7.65 4.24 1.18 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 47 L 7.83 4.01 0.00 1.84 1.84 1.15 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 48 L 7.64 4.52 0.00 1.54 1.63 0.74 1.05 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 49 G 8.12 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 50 Q 8.26 4.52 0.00 1.86 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.48 6.63 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 51 Q 7.44 4.61 0.00 1.37 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.88 0.00 0.00 0.00 0.00 0.00 2.00 1.36 0.00 52 A 8.47 4.97 1.25 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 0.00 0.00 53 L 8.70 4.67 0.00 1.64 1.65 0.95 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.34 0.00 2.20 1.99 0.00 3.72 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 55 A 8.74 4.00 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 56 D 8.10 4.28 0.00 2.71 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 57 A 7.99 3.99 1.42 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 58 A 8.28 3.95 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.27 3.89 0.00 2.00 2.00 0.00 3.14 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 60 L 7.96 3.93 0.00 1.85 1.82 0.93 1.08 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 61 V 8.19 3.80 2.11 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 0.83 0.00 0.00 1.01 0.00 0.00 62 G 8.35 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 0.00 0.00 0.00 63 A 8.28 4.01 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 64 K 7.97 3.99 0.00 1.90 1.88 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.67 7.81 65 L 7.60 4.47 0.00 1.72 1.67 0.93 0.87 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 66 D 7.67 4.36 0.00 2.75 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 67 L 8.02 4.36 0.00 1.66 1.58 0.93 1.00 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 68 D 8.25 4.72 0.00 2.95 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 E 8.56 3.98 0.00 2.00 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 2.40 2.35 0.00 70 D 8.04 4.38 0.00 2.68 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.70 4.13 0.00 4.03 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 I 7.68 3.73 2.01 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 1.56 0.57 0.99 0.00 0.00 73 L 8.14 4.24 0.00 1.85 1.87 0.93 0.52 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 74 L 8.09 4.03 0.00 1.80 1.72 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 75 L 8.09 4.15 0.00 1.89 1.73 0.93 1.05 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 76 Q 7.41 4.77 0.00 2.25 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.40 0.00 0.00 0.00 0.00 0.00 2.54 2.41 0.00 *78 I 7.32 4.08 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 1.42 0.82 0.92 0.00 0.00 79 P 0.00 4.69 0.00 2.12 2.04 0.00 3.75 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.92 0.00 80 L 8.29 4.36 0.00 1.67 1.65 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 81 R 8.34 4.20 0.00 1.82 1.81 0.00 3.24 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.76 0.00 82 G 8.16 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 C 8.08 4.30 0.00 3.06 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 84 I 7.44 4.08 1.85 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 0.54 0.91 0.00 0.00 85 D 8.88 4.47 0.00 2.61 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 86 D 7.33 4.64 0.00 2.58 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 R 8.25 4.31 0.00 1.99 2.06 0.00 3.21 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 88 I 7.16 4.09 1.73 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 1.29 0.70 0.53 0.00 0.00 89 P 0.00 4.45 0.00 2.18 2.05 0.00 3.40 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.09 0.00 90 T 8.28 4.24 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 1.19 0.00 0.00 91 D 7.99 4.50 0.00 2.68 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 92 P 0.00 4.51 0.00 2.26 2.13 0.00 3.69 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 2.13 2.12 0.00 93 T 7.59 3.88 4.47 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 1.35 0.00 0.00 *95 Y 7.92 4.64 0.00 3.22 3.23 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 96 R 8.14 4.00 0.00 1.54 1.73 0.00 3.40 0.00 0.00 3.37 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.77 0.00 97 F 8.02 4.20 0.00 3.08 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 98 Y 7.89 4.08 0.00 2.95 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 99 E 8.03 4.03 0.00 1.94 1.95 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 2.29 2.38 0.00 *101 L 7.92 4.22 0.00 1.59 1.57 0.90 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 102 Q 7.60 3.81 0.00 1.98 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.91 0.00 0.00 0.00 0.00 0.00 1.69 2.37 0.00 103 V 7.64 3.69 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 0.16 0.00 0.00 0.86 0.00 0.00 104 Y 7.55 4.68 0.00 3.02 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 0.00 105 G 8.23 3.66 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 0.00 0.00 0.00 106 T 7.83 4.03 4.25 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 1.20 0.00 0.00 107 T 7.82 3.95 4.61 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 1.34 0.00 0.00 108 L 8.55 4.00 0.00 1.84 1.73 0.95 1.00 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 0.00 109 K 8.14 3.77 0.00 1.83 2.00 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.46 7.81 110 A 8.15 4.04 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 L 8.36 3.99 0.00 1.71 1.76 0.94 0.71 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 0.00 112 V 8.13 3.84 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 1.07 0.00 0.00 0.99 0.00 0.00 113 H 8.25 4.98 0.00 3.27 3.33 0.00 5.68 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 E 8.25 3.95 0.00 1.97 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 2.29 2.33 0.00 115 K 8.29 3.97 0.00 1.52 1.15 0.00 1.71 0.00 0.00 1.57 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.30 1.50 7.81 116 F 8.93 4.28 0.00 2.54 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 0.00 117 G 7.35 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 0.00 118 D 8.56 4.64 0.00 2.72 2.78 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 0.00 119 G 8.09 4.07 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 0.00 0.00 0.00 120 I 8.27 4.79 1.85 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 1.17 0.64 0.91 0.00 0.00 121 I 8.09 4.63 1.82 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.70 0.96 0.00 0.00 122 S 9.13 4.20 0.00 3.88 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 0.00 123 A 8.45 3.96 0.97 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 0.00 0.00 124 I 8.00 4.33 1.88 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 1.16 0.97 0.93 0.00 0.00 125 N 7.83 4.78 0.00 2.80 2.75 0.00 0.00 6.50 7.71 0.00 0.00 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 F 8.00 5.39 0.00 3.17 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 0.00 127 K 8.13 4.60 0.00 1.62 1.65 0.00 1.21 0.00 0.00 1.61 0.00 0.00 2.79 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.10 1.14 7.81 128 L 8.33 5.72 0.00 1.75 1.46 1.01 0.88 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 0.00 129 D 8.37 4.81 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 0.00 130 V 8.36 4.82 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 0.83 0.00 0.00 0.91 0.00 0.00 131 K 9.03 4.65 0.00 1.83 1.71 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.35 7.81 132 K 8.68 4.88 0.00 1.83 1.71 0.00 1.97 0.00 0.00 1.73 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.48 7.81 133 V 8.74 4.71 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 0.64 0.00 0.00 0.94 0.00 0.00 134 A 8.52 4.51 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 0.00 135 D 8.82 4.60 0.00 2.68 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 0.00 136 P 0.00 4.29 0.00 2.08 2.10 0.00 3.73 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 137 E 8.45 4.12 0.00 2.04 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 2.38 2.40 0.00 138 G 8.66 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 0.00 139 G 9.65 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 E 8.26 5.19 0.00 1.81 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 2.21 2.33 0.00 141 R 9.32 4.82 0.00 1.67 1.77 0.00 3.22 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 142 A 8.58 5.02 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 0.00 143 V 8.85 4.18 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 1.05 0.00 0.00 0.94 0.00 0.00 144 I 8.38 4.81 2.01 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.71 1.00 0.00 0.00 145 T 8.68 4.46 4.43 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 1.18 0.00 0.00 146 L 8.54 4.67 0.00 1.65 1.97 1.02 1.19 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 0.00 147 D 8.57 4.67 0.00 2.56 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 G 8.45 4.68 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 0.00 0.00 0.00 149 K 8.83 4.33 0.00 1.93 1.70 0.00 1.57 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.45 7.81 150 Y 8.57 4.82 0.00 2.39 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 L 8.37 4.49 0.00 1.45 1.39 0.87 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 152 P 0.00 4.53 0.00 2.04 1.95 0.00 3.46 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.91 0.00 153 T 8.65 4.49 4.35 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 1.25 0.00 0.00 154 K 8.48 4.63 0.00 1.76 1.73 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.44 7.81 155 P 0.00 4.37 0.00 2.00 1.90 0.00 3.65 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 2.02 2.05 0.00 156 F 7.63 4.51 0.00 3.07 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.