NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4729 8.1927 115.3067 58.2171 63.7871 174.3036 3 V 3.7000 8.2811 125.6583 65.2675 31.5158 177.1551 4 Q 3.9554 8.4225 119.3459 58.9961 29.1787 177.8152 5 A 4.1723 7.9083 121.6507 55.4293 18.3889 179.9229 6 T 3.7288 7.7156 112.9082 66.7341 68.5097 176.5608 7 D 4.2705 8.3690 120.1983 57.3096 41.2965 177.9522 8 R 3.8647 8.3954 119.6326 59.6704 30.0943 178.3910 9 L 3.8520 7.8649 118.4836 58.0908 41.5647 179.4849 10 M 4.0898 8.0953 118.6825 58.0077 31.8539 178.6553 11 K 3.8806 8.3133 120.0966 59.5038 31.8470 178.5163 12 E 3.9639 8.1135 118.7162 59.6059 29.4787 179.2078 13 L 3.5264 7.8950 119.8824 58.1027 41.7741 179.2622 14 R 4.0799 7.6938 117.2730 58.9612 30.1681 178.5849 15 D 4.4438 8.0517 118.8755 57.5307 40.8789 178.4398 16 I 3.6742 7.9094 120.5933 65.0867 36.8811 178.0633 17 Y 3.8113 7.3442 116.0472 59.9800 37.6004 177.7301 18 R 4.5757 7.7364 116.9127 54.8963 31.2720 175.8460 19 S 4.7286 7.4400 114.6422 57.1481 64.6412 175.5262 20 Q 4.1107 8.6691 121.9606 58.8437 28.3574 179.2972 21 S 4.3478 8.1308 116.3705 61.5548 63.0658 175.9426 22 F 3.5760 8.0548 122.3797 60.2320 38.9216 177.6685 23 K 4.2006 8.1888 117.8978 58.8218 32.0007 178.6785 24 G 3.8381 7.9278 103.6380 44.8068 0.0000 174.2534 25 G 3.7332 7.4089 108.0982 46.0015 0.0000 175.7264 26 N 4.6273 7.8526 119.8796 56.0262 38.7613 174.0283 27 Y 5.4684 6.8325 112.9838 57.0385 40.6598 173.0893 28 A 4.9504 8.9924 119.2935 51.0059 23.3820 175.6379 29 V 4.7766 8.7049 118.3460 61.1887 34.4267 174.6353 30 E 4.4752 8.9605 127.1514 54.4067 32.6929 175.7344 31 L 4.8253 8.4586 126.0868 53.8282 40.8728 175.1875 32 V 3.7023 8.3304 122.2134 62.5950 32.3874 176.6195 33 N 4.4272 9.4183 122.5118 54.4458 35.7031 174.7036 34 D 4.4060 8.4442 115.0189 54.7107 39.6291 174.3308 35 S 4.3189 7.7925 115.3070 58.2564 62.6647 174.3762 36 L 4.4301 8.8291 128.5818 56.7178 42.4188 176.1470 37 Y 4.7729 8.2941 114.4322 58.4285 39.6962 174.6158 38 D 5.0775 8.5918 118.6901 52.6969 44.2632 173.7498 39 W 5.1274 9.4147 126.6922 55.1730 32.1330 175.3643 40 N 5.2598 9.4481 122.6965 52.0441 39.6127 174.2118 41 V 5.4465 9.0829 125.9750 60.5847 33.1561 174.4122 42 K 5.0813 8.5238 128.2637 55.4312 34.7962 175.5477 43 L 4.7968 9.2373 125.8348 54.5776 41.9548 177.3597 44 L 4.2340 8.9495 125.1470 56.4694 42.7246 177.6987 45 K 4.4232 7.3181 120.8251 54.5201 31.6184 176.3484 46 V 3.7097 7.6625 125.5228 63.6847 32.1461 176.3701 *49 D 4.5145 7.7563 121.7520 52.4848 43.0889 175.3815 50 S 4.8053 7.5352 111.8258 56.3416 67.7482 174.4238 51 A 4.0245 8.4452 122.9153 55.0847 18.2045 179.5250 52 L 3.9169 7.9184 118.4236 58.6977 42.0758 178.2910 53 H 4.1494 7.8271 116.9972 59.4031 29.8734 176.4442 54 N 4.4156 7.9547 118.4668 56.8889 38.7463 176.7697 55 D 4.6586 7.9384 118.4867 57.1662 41.2645 178.4039 56 L 4.2502 7.9449 119.0886 57.0309 41.9927 179.3214 57 Q 3.9626 8.0720 118.6843 58.9133 28.6717 177.7705 58 I 5.1133 7.6905 108.8050 60.3850 38.0725 176.8242 59 L 4.2814 7.8794 124.0958 57.9467 42.0430 178.2071 60 K 3.9700 8.0978 117.9758 59.9914 32.4297 177.7766 61 E 4.1107 7.7075 116.3639 58.7592 29.5230 178.5720 62 K 4.0429 7.5623 121.8014 56.9356 32.5545 176.8309 63 E 4.4294 7.5141 120.8106 55.2237 32.4818 175.5440 64 G 3.7049 8.7053 116.7085 46.7329 0.0000 170.5767 65 A 4.8975 8.1538 126.9896 50.4217 21.4961 175.8864 66 D 4.7187 8.0467 113.0553 50.8191 39.4121 174.3786 67 F 5.1247 7.1755 118.0943 57.4630 40.6241 173.4760 68 I 4.4342 8.2678 121.8489 60.3686 38.7752 174.4355 69 L 4.9501 9.6027 131.6017 54.1304 43.1271 175.4079 70 L 5.1370 9.1007 127.2062 53.2775 44.8869 175.2646 71 N 5.4332 8.7705 119.7801 52.0754 41.9395 172.9464 72 F 4.4938 9.4673 126.1441 55.9120 41.0962 174.7398 73 S 4.8357 8.5455 119.8076 56.1516 64.2058 174.1564 74 F 4.9314 8.4921 126.9586 57.5015 38.8025 177.3641 75 K 4.3211 8.3378 120.3864 58.4740 33.2493 177.7929 76 D 4.5841 7.8835 120.6915 53.9276 39.2583 175.8013 77 N 4.3673 8.3265 114.5165 53.8031 36.8977 174.2864 78 F 5.0777 7.7517 118.0691 57.7729 39.8172 173.2213 79 P 3.8165 0.0000 0.0000 62.3709 31.4599 177.0922 80 F 4.3114 8.2321 118.5346 60.1402 39.3229 175.1541 81 D 5.1331 8.2897 119.6537 51.4082 43.2580 174.3225 82 P 2.9700 0.0000 0.0000 61.4078 31.8790 174.6486 83 P 4.1650 0.0000 0.0000 62.2159 32.3058 176.2790 84 F 3.8521 8.5746 126.4541 57.8721 39.8980 174.0595 85 V 4.6432 7.4060 126.2504 60.1105 33.3809 174.7411 86 R 4.4835 7.6074 121.7462 54.5761 33.3967 173.6074 87 V 4.1853 8.4457 121.7752 62.1740 31.5592 175.9363 88 V 4.0659 9.1696 129.5851 65.4137 32.1673 176.0405 89 S 4.7797 7.5751 111.5871 57.3225 65.5224 174.5553 90 P 4.7736 0.0000 0.0000 61.3780 33.0035 175.9373 91 V 3.3381 8.0456 120.3825 63.2479 32.2134 174.7751 92 L 5.4751 8.8374 126.9664 52.9202 45.5056 175.7968 93 S 4.5809 9.2505 116.3490 57.5365 65.4558 175.0355 94 G 3.7166 9.0068 110.7182 45.6664 0.0000 174.8587 95 G 4.0121 9.1291 114.1968 46.4574 0.0000 173.1840 96 Y 3.4680 7.5049 113.9139 58.3706 35.2199 168.8906 97 V 4.2160 7.7056 120.2207 62.1742 32.3341 176.0709 98 L 4.4598 9.0129 128.2804 52.8138 43.1033 176.1250 99 G 3.9225 8.4372 109.1804 47.8580 0.0000 173.2965 100 G 4.1513 9.5119 113.9260 44.8703 0.0000 174.3333 101 G 3.0578 7.9847 105.6741 44.7649 0.0000 173.9820 102 A 4.0937 7.8362 123.0877 51.8411 19.1502 176.3254 103 I 4.7233 7.7138 120.2049 59.7685 39.6213 177.0090 104 C 4.4101 9.0595 128.9253 58.2179 30.1813 171.9737 105 M 4.5565 7.3246 121.9102 53.0640 34.6626 175.3974 106 E 4.0344 8.2424 123.9602 59.3713 30.0466 179.3005 107 L 4.4827 7.6297 119.3749 57.9805 40.5313 177.8995 108 L 4.2822 7.4641 117.1486 55.0575 41.7762 176.3750 109 T 4.7326 8.0035 110.2977 59.9017 70.8803 174.5575 110 K 4.6074 8.5008 119.4229 57.0094 31.7924 177.7083 111 Q 4.5961 8.2286 115.7829 55.8736 31.1240 175.2722 112 G 4.2312 8.1776 102.4893 45.1731 0.0000 172.2273 113 W 5.1878 8.2127 129.4366 56.1310 32.3717 175.1633 114 S 4.3026 7.2468 117.0471 56.1525 64.7039 175.0208 115 S 3.9469 8.3958 122.7743 60.7056 62.8261 175.4053 116 A 3.9564 7.2211 123.0395 54.4511 18.5049 177.9509 117 Y 4.1673 6.7008 112.4874 59.0135 38.6053 177.0903 118 S 5.0470 8.2275 120.9860 56.8524 65.8509 176.0302 119 I 3.9273 8.6064 124.7988 64.2340 36.5752 178.5629 120 E 3.9822 8.2698 120.4291 58.8494 29.4754 178.7103 121 S 4.1821 7.8836 114.1054 61.1279 63.7131 176.6405 122 V 3.8472 7.9964 123.0058 64.3786 30.8778 178.4795 123 I 3.7979 7.6354 120.0796 64.6546 36.8635 178.3156 124 M 4.0769 7.5044 119.1278 58.4784 31.7403 178.8879 125 Q 3.9702 8.6774 118.5897 58.8032 28.7387 179.0140 126 I 3.6740 7.6895 121.1024 64.4125 37.3130 178.3445 127 S 4.1048 8.3143 113.8683 60.9721 62.0462 176.1614 128 A 4.0908 8.1628 123.7496 55.3834 18.5543 179.4126 129 T 3.7549 8.3162 114.5578 67.0066 68.5030 176.6691 130 L 4.2562 8.1716 120.7172 57.8161 41.5604 179.8457 131 V 3.6339 7.3985 117.3349 65.8826 31.3328 177.9224 132 K 4.0876 8.6768 118.7183 59.2818 32.2039 177.3660 133 G 3.7926 8.4634 106.5014 44.5951 0.0000 173.6072 134 K 4.0420 8.0358 117.4618 57.1094 29.9256 174.9504 135 A 4.5592 8.0669 119.6320 52.2249 19.7279 178.8392 136 R 4.7091 8.9051 118.8368 54.2270 35.0923 174.8012 137 V 3.9600 8.6635 122.5440 62.5043 32.0897 176.5575 138 Q 4.3078 8.9359 131.1573 55.4946 27.6201 176.3140 139 F 4.2628 8.8600 120.7858 58.3618 39.3791 176.7677 140 G 3.7459 7.8324 109.7709 47.6128 0.0000 174.7554 141 A 4.0466 7.6109 123.2557 51.5249 19.1485 176.9488 142 N 4.7006 8.3151 117.9026 52.1777 39.8666 176.8104 143 K 3.8960 8.5018 119.4804 59.2462 32.2835 179.5308 144 S 4.1536 7.9974 112.3979 60.5931 63.0458 175.1773 145 Q 3.9158 8.1094 122.4294 58.4796 28.8016 175.6441 146 Y 5.4376 8.0985 115.8627 55.8865 38.6643 175.6173 147 S 4.8137 8.3227 119.2998 55.4640 67.6426 174.3463 148 L 3.9737 8.5751 124.4905 58.7583 41.4818 179.4873 149 T 3.8411 7.8932 115.0130 66.9653 68.5077 176.6903 150 R 4.0052 8.1162 119.2142 58.7653 29.9213 178.9758 151 A 4.2307 8.2034 121.1965 55.0029 18.5284 179.4838 152 Q 4.0186 8.4496 116.8561 59.4141 28.9128 178.9603 153 Q 4.2400 7.9631 118.7002 58.9648 28.7340 179.0962 154 S 4.0523 7.8353 112.9363 61.6550 62.3574 175.4586 155 Y 4.0649 8.2428 121.4597 60.5714 38.5982 177.8491 156 K 4.0706 8.6866 121.0283 59.8464 32.1167 178.7598 157 S 4.1035 7.8678 114.4386 61.3866 62.8278 176.0697 158 L 3.9810 7.4684 122.2218 58.3021 41.8225 177.5877 159 V 3.7413 7.0289 120.4119 63.1432 31.6004 175.2514 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 S 8.19 4.47 0.00 3.97 3.94 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 3 V 8.28 3.70 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 1.11 0.00 0.00 0.97 0.00 0.00 4 Q 8.42 3.96 0.00 2.20 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.67 0.00 0.00 0.00 0.00 0.00 2.47 2.47 0.00 5 A 7.91 4.17 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 T 7.72 3.73 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 7 D 8.37 4.27 0.00 2.84 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 8 R 8.40 3.86 0.00 1.90 2.15 0.00 3.19 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.85 0.00 9 L 7.86 3.85 0.00 1.80 1.53 0.33 -0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 10 M 8.10 4.09 0.00 2.08 2.23 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.54 0.00 11 K 8.31 3.88 0.00 1.81 2.02 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.58 1.48 7.81 12 E 8.11 3.96 0.00 2.30 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 2.55 2.50 0.00 13 L 7.90 3.53 0.00 1.70 1.36 0.49 -0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 14 R 7.69 4.08 0.00 2.02 1.99 0.00 3.44 0.00 0.00 3.26 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.86 0.00 15 D 8.05 4.44 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 16 I 7.91 3.67 1.57 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.27 0.54 0.00 0.00 17 Y 7.34 3.81 0.00 2.97 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 18 R 7.74 4.58 0.00 1.78 1.95 0.00 3.17 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.78 0.00 19 S 7.44 4.73 0.00 4.17 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 20 Q 8.67 4.11 0.00 2.13 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.95 0.00 0.00 0.00 0.00 0.00 2.48 2.42 0.00 21 S 8.13 4.35 0.00 4.20 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 22 F 8.05 3.58 0.00 2.81 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 K 8.19 4.20 0.00 1.79 1.85 0.00 1.94 0.00 0.00 1.74 0.00 0.00 3.16 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.57 1.85 7.81 24 G 7.93 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.41 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 N 7.85 4.63 0.00 3.11 3.09 0.00 0.00 6.60 8.54 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 27 Y 6.83 5.47 0.00 3.13 2.99 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 28 A 8.99 4.95 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 29 V 8.70 4.78 1.74 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 0.10 0.00 0.00 0.99 0.00 0.00 30 E 8.96 4.48 0.00 1.91 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 31 L 8.46 4.83 0.00 1.58 1.84 0.86 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 32 V 8.33 3.70 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 0.88 0.00 0.00 1.00 0.00 0.00 33 N 9.42 4.43 0.00 2.96 3.01 0.00 0.00 7.17 8.06 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 34 D 8.44 4.41 0.00 2.87 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 35 S 7.79 4.32 0.00 4.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.83 4.43 0.00 1.75 1.73 0.70 0.93 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 37 Y 8.29 4.77 0.00 2.99 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 38 D 8.59 5.08 0.00 2.96 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 39 W 9.41 5.13 0.00 3.43 3.09 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 0.00 0.00 0.00 40 N 9.45 5.26 0.00 2.88 2.84 0.00 0.00 6.30 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 9.08 5.45 2.43 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 0.75 0.00 0.00 0.91 0.00 0.00 42 K 8.52 5.08 0.00 1.59 1.70 0.00 1.22 0.00 0.00 1.36 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.27 1.36 7.81 43 L 9.24 4.80 0.00 1.72 1.78 0.99 0.49 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 44 L 8.95 4.23 0.00 1.82 1.75 0.85 0.83 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 45 K 7.32 4.42 0.00 1.97 1.81 0.00 1.82 0.00 0.00 1.77 0.00 0.00 3.11 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.52 7.81 46 V 7.66 3.71 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 1.00 0.00 0.00 *49 D 7.76 4.51 0.00 2.63 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 50 S 7.54 4.81 0.00 4.06 3.94 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 51 A 8.45 4.02 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 52 L 7.92 3.92 0.00 2.04 1.73 0.94 0.98 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 53 H 7.83 4.15 0.00 3.15 3.71 0.00 5.81 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 N 7.95 4.42 0.00 2.87 3.02 0.00 0.00 7.12 9.28 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 55 D 7.94 4.66 0.00 2.92 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 56 L 7.94 4.25 0.00 1.75 1.73 0.98 0.50 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 57 Q 8.07 3.96 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.95 0.00 0.00 0.00 0.00 0.00 2.54 2.38 0.00 58 I 7.69 5.11 1.76 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.91 0.89 0.00 0.00 59 L 7.88 4.28 0.00 2.06 1.79 0.77 0.13 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 60 K 8.10 3.97 0.00 1.81 1.86 0.00 1.85 0.00 0.00 1.78 0.00 0.00 3.37 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.54 7.81 61 E 7.71 4.11 0.00 2.29 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.31 0.00 62 K 7.56 4.04 0.00 1.64 2.12 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.53 1.48 7.81 63 E 7.51 4.43 0.00 1.90 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.24 0.00 64 G 8.71 3.70 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 0.00 0.00 0.00 65 A 8.15 4.90 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 66 D 8.05 4.72 0.00 2.83 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 F 7.18 5.12 0.00 3.10 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 68 I 8.27 4.43 1.97 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 1.27 0.49 0.97 0.00 0.00 69 L 9.60 4.95 0.00 2.14 1.74 1.01 -0.23 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 70 L 9.10 5.14 0.00 1.94 1.50 1.03 0.33 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 71 N 8.77 5.43 0.00 2.75 2.59 0.00 0.00 7.34 7.32 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 72 F 9.47 4.49 0.00 2.77 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 S 8.55 4.84 0.00 3.80 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 F 8.49 4.93 0.00 2.89 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 75 K 8.34 4.32 0.00 1.74 1.85 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.50 7.81 76 D 7.88 4.58 0.00 2.67 2.61 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 77 N 8.33 4.37 0.00 3.20 3.02 0.00 0.00 6.62 8.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 F 7.75 5.08 0.00 3.16 3.12 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 79 P 0.00 3.82 0.00 1.59 1.14 0.00 3.19 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.17 0.00 80 F 8.23 4.31 0.00 3.29 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 81 D 8.29 5.13 0.00 3.00 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 P 0.00 2.97 0.00 1.69 1.39 0.00 3.59 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.06 0.00 83 P 0.00 4.17 0.00 1.54 1.26 0.00 2.96 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 84 F 8.57 3.85 0.00 2.87 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 85 V 7.41 4.64 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 0.03 0.00 0.00 -0.06 0.00 0.00 86 R 7.61 4.48 0.00 1.73 1.62 0.00 3.02 0.00 0.00 3.40 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.51 0.00 87 V 8.45 4.19 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.76 0.00 0.00 88 V 9.17 4.07 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 0.90 0.00 0.00 0.97 0.00 0.00 89 S 7.58 4.78 0.00 3.87 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 90 P 0.00 4.77 0.00 1.77 1.86 0.00 3.65 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.88 0.00 91 V 8.05 3.34 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.47 0.00 0.00 92 L 8.84 5.48 0.00 1.66 1.56 0.96 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 93 S 9.25 4.58 0.00 3.81 4.10 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 94 G 9.01 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 0.00 0.00 0.00 95 G 9.13 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 Y 7.50 3.47 0.00 3.18 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 97 V 7.71 4.22 2.21 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 0.72 0.00 0.00 0.98 0.00 0.00 98 L 9.01 4.46 0.00 1.78 1.59 0.93 0.15 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 99 G 8.44 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 0.00 100 G 9.51 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 0.00 0.00 0.00 0.00 101 G 7.98 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 A 7.84 4.09 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 0.00 103 I 7.71 4.72 1.70 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.46 0.85 0.00 0.00 104 C 9.06 4.41 0.00 2.93 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 M 7.32 4.56 0.00 1.97 1.76 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 106 E 8.24 4.03 0.00 2.01 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 2.36 2.21 0.00 107 L 7.63 4.48 0.00 1.69 1.62 0.83 0.68 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 0.00 108 L 7.46 4.28 0.00 1.91 1.67 0.62 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 109 T 8.00 4.73 4.28 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 1.35 0.00 0.00 110 K 8.50 4.61 0.00 1.85 1.95 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.54 1.53 7.81 111 Q 8.23 4.60 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.74 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 112 G 8.18 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 0.00 0.00 0.00 0.00 113 W 8.21 5.19 0.00 3.77 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 0.00 114 S 7.25 4.30 0.00 3.46 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 0.00 115 S 8.40 3.95 0.00 3.67 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 A 7.22 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 0.00 117 Y 6.70 4.17 0.00 2.25 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 0.00 118 S 8.23 5.05 0.00 3.88 3.94 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 0.00 119 I 8.61 3.93 1.84 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.84 0.60 0.00 0.00 120 E 8.27 3.98 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 2.48 2.39 0.00 121 S 7.88 4.18 0.00 4.14 4.16 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 0.00 122 V 8.00 3.85 2.35 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 1.10 0.00 0.00 1.08 0.00 0.00 123 I 7.64 3.80 1.75 0.00 0.00 0.46 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 0.57 0.54 0.00 0.00 124 M 7.50 4.08 0.00 2.14 2.24 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.85 0.00 125 Q 8.68 3.97 0.00 2.14 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.82 0.00 0.00 0.00 0.00 0.00 2.34 2.51 0.00 126 I 7.69 3.67 2.08 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.81 0.88 0.00 0.00 127 S 8.31 4.10 0.00 3.91 4.04 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 0.00 0.00 0.00 128 A 8.16 4.09 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 0.00 129 T 8.32 3.75 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 130 L 8.17 4.26 0.00 1.77 1.76 0.95 0.74 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 0.00 131 V 7.40 3.63 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 1.12 0.00 0.00 1.04 0.00 0.00 132 K 8.68 4.09 0.00 1.80 1.94 0.00 1.88 0.00 0.00 1.72 0.00 0.00 3.12 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.67 1.56 7.81 133 G 8.46 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 0.00 134 K 8.04 4.04 0.00 1.80 1.81 0.00 1.90 0.00 0.00 1.74 0.00 0.00 3.12 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.43 7.81 135 A 8.07 4.56 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 0.00 136 R 8.91 4.71 0.00 1.70 1.94 0.00 3.32 0.00 0.00 3.12 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 137 V 8.66 3.96 1.56 0.00 0.00 0.00 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 0.77 0.00 0.00 138 Q 8.94 4.31 0.00 2.14 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.67 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 139 F 8.86 4.26 0.00 3.03 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 G 7.83 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 0.00 141 A 7.61 4.05 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 0.00 0.00 0.00 0.00 0.00 142 N 8.32 4.70 0.00 2.73 2.71 0.00 0.00 7.02 8.04 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 0.00 143 K 8.50 3.90 0.00 1.85 1.89 0.00 1.50 0.00 0.00 1.84 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.53 1.48 7.81 144 S 8.00 4.15 0.00 3.97 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 Q 8.11 3.92 0.00 1.85 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.75 0.00 0.00 0.00 0.00 0.00 1.91 1.78 0.00 146 Y 8.10 5.44 0.00 3.07 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 0.00 147 S 8.32 4.81 0.00 4.02 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 0.00 148 L 8.58 3.97 0.00 1.80 1.72 0.89 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 149 T 7.89 3.84 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 1.22 0.00 0.00 150 R 8.12 4.01 0.00 2.09 2.06 0.00 3.15 0.00 0.00 3.36 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 151 A 8.20 4.23 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 0.00 0.00 0.00 0.00 0.00 152 Q 8.45 4.02 0.00 2.16 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.72 0.00 0.00 0.00 0.00 0.00 2.38 2.32 0.00 153 Q 7.96 4.24 0.00 2.08 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.53 0.00 154 S 7.84 4.05 0.00 4.22 4.09 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 0.00 0.00 0.00 155 Y 8.24 4.06 0.00 3.09 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 0.00 156 K 8.69 4.07 0.00 2.08 1.95 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.54 7.81 157 S 7.87 4.10 0.00 4.01 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 0.00 158 L 7.47 3.98 0.00 1.53 1.57 0.46 0.92 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 0.00 159 V 7.03 3.74 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 0.61 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.