NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.1915 8.3144 120.1438 56.1690 33.5033 174.4752 3 V 4.1517 8.0304 122.8637 60.4156 33.4917 173.5663 4 F 4.4252 9.0769 126.1343 55.5218 41.6654 173.9235 5 E 4.4361 8.1295 126.4369 54.9265 30.8135 174.4160 6 F 5.1954 8.2697 121.9875 56.4949 44.0212 173.0442 7 E 4.8695 9.2896 118.2665 54.9306 32.8074 176.1172 8 V 4.6198 8.4578 115.9975 60.5952 33.7741 175.0072 9 G 4.2738 8.6271 110.3983 46.7280 0.0000 173.8231 10 K 4.3756 7.7662 118.5891 54.4861 34.0401 175.8275 11 G 4.3364 7.4885 105.6558 45.0820 0.0000 172.3227 12 F 5.2073 9.1444 120.1263 55.4243 43.5615 173.6859 13 L 5.3818 8.8274 121.9038 52.9989 44.2404 175.7748 14 L 4.6787 9.0830 123.6805 52.7610 45.3444 175.6466 15 R 4.7929 8.3434 122.8482 54.5566 30.9679 175.6992 16 L 4.4001 8.5845 127.1153 54.4991 42.3662 176.9442 17 D 4.5788 9.6100 121.7665 53.6657 41.6228 175.9545 18 Y 4.1061 8.4476 124.9510 58.9493 39.2718 176.2567 19 G 3.7730 8.5391 114.7955 45.4614 0.0000 173.1615 20 K 4.5983 7.2154 117.9387 53.8049 35.1257 175.0573 21 D 4.7866 8.3265 120.1192 53.9385 42.4946 176.4129 22 L 3.8559 9.1518 129.7616 58.4711 42.2427 179.3840 23 V 3.5267 7.7415 117.4008 66.1202 31.4413 177.9909 24 R 3.9284 8.7301 118.1436 59.3146 29.8778 179.0665 25 Q 3.9899 8.0878 117.8229 59.0311 28.6329 178.9619 26 I 3.7482 7.5692 120.3114 64.5210 37.1492 178.3803 27 E 3.9470 8.2903 119.3649 59.4098 29.2327 179.3407 28 E 3.9684 8.4606 118.9029 59.1784 29.4974 179.0882 29 F 4.1174 8.1841 120.7510 61.3418 39.4035 177.1809 30 L 3.6334 8.1728 118.8255 57.6349 41.1730 179.4786 31 E 3.8764 8.0565 118.5464 59.3627 29.2175 178.9230 32 E 3.8327 7.8769 118.0656 58.8815 29.7715 178.3071 33 K 4.0850 7.4991 116.2426 55.6104 32.6705 176.6973 34 G 3.6517 7.3399 106.9570 46.5350 0.0000 173.9121 35 I 4.0884 7.8099 121.4598 60.3323 37.7784 175.9523 36 H 4.7634 8.6814 121.8838 55.9656 30.1399 174.3894 37 A 5.2634 7.5217 120.4801 49.8534 22.5898 174.8730 38 A 4.4374 7.9485 121.4337 51.8113 22.9393 174.0637 39 H 5.2274 8.6079 119.2203 54.5815 32.4359 173.3872 40 I 4.9855 8.6549 125.5293 59.8001 40.7504 174.4426 41 S 5.2029 8.5438 117.7037 57.5599 66.1044 172.6546 42 A 5.1765 8.4890 125.9282 51.4265 22.6479 175.1027 43 I 4.5356 8.8129 112.0428 59.1978 41.6534 173.5817 44 G 4.0251 7.7936 109.3334 44.6148 0.0000 172.2308 45 A 5.1785 9.0644 125.3237 50.7475 23.2669 175.9176 46 V 4.8686 9.1232 112.3718 59.7683 35.3627 177.0533 47 R 4.3317 8.8933 122.0227 58.7050 31.1931 176.3672 48 S 4.6850 7.5089 111.2946 58.0280 66.4207 173.3346 49 A 4.8340 8.3471 120.2302 51.5533 23.3203 175.6951 50 V 4.7877 9.1019 119.0490 61.6597 34.7715 174.1571 51 I 5.4894 7.7679 123.2402 59.9229 41.2082 174.1893 52 G 4.6052 7.8737 108.1072 47.1021 0.0000 171.4842 53 Y 5.5041 8.0977 117.5307 55.2311 41.6394 173.8865 54 Y 4.8075 8.7436 121.7439 56.2068 40.7645 173.8572 55 D 4.6350 8.4309 127.9203 54.0451 41.6262 176.9157 56 Q 4.1885 8.8687 125.4038 57.6950 29.2662 177.0501 57 E 4.3395 8.1232 116.6507 58.3003 30.4232 177.7911 58 K 3.9458 8.4893 116.6916 57.1426 32.6931 177.1288 59 K 3.4322 7.4801 117.5850 56.3373 29.7416 174.5547 60 E 4.7925 6.3822 114.7349 55.2079 33.2982 175.6153 61 Y 4.8590 8.7208 118.8100 57.9731 39.5396 175.2339 62 V 4.1772 8.8765 121.9612 61.1003 33.8528 175.1622 63 K 4.9231 8.5236 127.2803 55.8010 33.8267 176.4251 64 K 4.5600 9.2162 123.0665 55.0534 35.5160 174.8159 65 E 4.8145 8.8276 126.7195 55.3321 31.2642 175.1133 66 L 4.6340 8.4559 122.1125 52.7740 46.7372 175.0339 *68 E 4.2452 8.5502 119.3960 55.1691 30.3637 173.3616 69 P 4.6362 0.0000 0.0000 63.4938 32.0566 175.5677 70 L 4.8518 9.0520 122.5052 53.1979 46.7168 175.4104 71 E 4.5238 8.7668 121.1077 56.0512 31.3326 176.3800 72 I 4.1980 8.7857 125.0878 60.4979 36.4710 175.7718 73 L 4.2415 8.9052 129.0248 57.4296 42.4786 178.0214 74 S 4.5635 7.6612 110.7499 57.2115 66.1271 173.8483 75 L 5.0398 8.3800 128.3097 53.7489 45.0579 174.5322 76 S 4.9897 8.9377 120.6165 56.9680 66.5974 173.5764 77 G 4.1398 8.2380 109.8577 46.6696 0.0000 171.3782 78 N 5.5899 8.2959 116.1532 51.6042 41.7241 173.4295 79 V 5.0579 8.7843 119.5691 61.6822 34.7628 173.1080 80 S 5.1323 8.9654 125.0762 59.0256 70.0800 176.9417 *82 K 4.1122 9.1904 118.9897 57.1754 32.8713 174.1093 83 D 4.5451 9.3298 125.8062 55.7044 38.3336 173.3057 84 S 3.7974 8.2529 107.3397 58.3242 61.9172 171.7702 85 K 4.4388 7.8241 116.6847 55.6595 35.2820 173.3348 86 P 4.3067 0.0000 0.0000 63.7666 31.3918 174.9423 87 F 4.8819 9.8241 126.3065 56.3742 41.9867 173.5458 88 C 4.7663 7.7644 123.6729 58.7844 29.6621 172.8003 89 H 4.7078 8.9154 123.0553 54.5303 31.9867 172.1712 90 I 5.0019 8.0413 125.9982 59.7028 41.2350 174.3185 91 H 5.4002 9.1322 122.6019 54.3184 32.3326 173.3560 92 V 5.0273 8.6595 113.7129 59.9976 37.0813 174.1584 93 L 5.2528 8.9892 120.6886 53.3442 45.2095 176.0782 94 L 5.1942 10.3735 123.8538 52.4898 45.7988 177.8818 95 G 3.7058 7.2977 107.4619 46.4959 0.0000 171.1856 96 K 4.6337 8.4930 117.2727 57.2582 36.8390 174.5709 97 D 4.2527 8.4700 123.0824 55.9174 39.6721 175.1336 98 G 3.7515 8.9032 117.0291 46.4181 0.0000 173.2945 99 E 4.0893 8.2000 122.8723 54.5140 28.4302 174.0002 100 V 4.7175 7.5601 124.0796 60.8508 34.3677 173.8323 101 Y 5.0009 9.0953 124.2074 56.6470 41.9667 174.6062 102 G 4.3886 8.0791 106.6048 45.1055 0.0000 173.5807 103 G 4.0680 7.9210 107.7919 45.1324 0.0000 170.7198 104 H 4.2774 8.2960 120.5027 56.0346 30.7890 174.7233 105 L 4.3654 8.4651 128.8076 54.6150 42.1844 175.7430 106 F 4.7662 8.7559 125.2380 59.0243 40.7666 176.1512 107 S 4.7594 7.8611 109.4172 57.9922 65.9131 174.6110 108 A 4.8175 8.5661 120.9394 51.0383 23.1564 175.0954 109 E 4.4362 8.7026 124.4373 55.4851 31.1145 176.0220 110 V 3.8982 8.7217 128.1434 63.4049 32.3626 175.3053 111 F 4.3898 8.9348 129.7889 59.3085 40.5839 175.8092 112 A 4.5473 7.7513 119.9322 51.0219 22.4312 174.0554 113 C 5.1380 8.7215 122.4936 57.8305 35.5774 172.2526 114 E 5.0552 9.0077 125.5042 54.7534 31.7874 174.9099 115 V 4.6667 8.6704 125.3598 61.0060 34.4971 173.9402 116 F 5.4896 9.5757 130.4701 56.6219 41.5881 174.2352 117 V 4.3870 8.7938 126.2750 60.9361 34.2953 173.8505 118 L 4.7803 8.0858 130.9640 52.2088 42.9211 173.4668 119 P 4.7290 0.0000 0.0000 62.5607 32.4489 175.7189 120 L 4.5661 8.7291 122.4775 52.9621 43.9719 176.0545 121 S 4.4555 9.1584 120.4446 57.6663 63.3914 173.8490 122 G 4.2030 8.3666 113.2303 46.3377 0.0000 170.4664 123 E 4.1502 8.3029 120.2519 55.9473 29.4771 176.9556 124 A 4.2763 8.5725 128.1920 51.1419 19.1622 175.0486 125 P 4.1151 0.0000 0.0000 62.5977 32.1997 175.4306 126 E 4.7861 8.6905 121.0735 54.7740 32.4221 174.9294 127 R 5.0313 8.7334 122.8503 55.4183 31.3768 175.6886 128 A 5.0885 9.3971 125.3178 49.5467 23.1036 174.8795 129 F 3.7745 9.1080 122.1061 58.5304 40.3069 173.8743 130 D 4.5007 7.6226 125.6393 52.1998 42.7049 175.9060 131 E 3.7470 8.8826 127.5506 59.3930 29.9300 177.5713 132 Q 4.0808 8.1489 118.2050 58.8717 29.0382 177.0610 133 T 4.2417 7.9542 105.4521 61.0278 70.0614 175.7001 134 G 3.7654 8.0866 109.2006 46.0294 0.0000 172.9076 135 L 4.2853 7.0220 119.5993 53.5431 44.4489 175.7141 136 F 4.7599 8.6425 118.8041 56.4657 39.2971 175.8640 137 L 4.4811 8.2099 124.2065 52.3045 44.4469 176.2832 138 W 4.9227 8.3702 120.1377 57.5638 29.2546 174.5586 139 L 4.7453 8.7902 122.9850 54.8181 43.4621 175.9837 140 E 4.7482 8.1033 123.0443 57.0332 29.5839 175.4300 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 K 8.31 4.19 0.00 2.02 1.77 0.00 1.64 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.54 7.81 3 V 8.03 4.15 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 0.78 0.00 0.00 0.92 0.00 0.00 4 F 9.08 4.43 0.00 3.06 2.65 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 0.00 0.00 0.00 0.00 5 E 8.13 4.44 0.00 1.79 1.63 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 2.17 2.29 0.00 6 F 8.27 5.20 0.00 2.88 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 7 E 9.29 4.87 0.00 1.95 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 2.24 2.28 0.00 8 V 8.46 4.62 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 0.72 0.00 0.00 0.96 0.00 0.00 9 G 8.63 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 K 7.77 4.38 0.00 1.64 1.33 0.00 1.83 0.00 0.00 1.72 0.00 0.00 2.82 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.30 1.39 7.81 11 G 7.49 4.34 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 0.00 12 F 9.14 5.21 0.00 2.95 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 13 L 8.83 5.38 0.00 1.54 1.59 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 14 L 9.08 4.68 0.00 1.34 1.28 0.18 -0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 15 R 8.34 4.79 0.00 1.78 1.81 0.00 3.22 0.00 0.00 3.20 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 16 L 8.58 4.40 0.00 1.64 1.56 0.84 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 17 D 9.61 4.58 0.00 2.76 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 18 Y 8.45 4.11 0.00 2.83 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 19 G 8.54 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 20 K 7.22 4.60 0.00 1.78 1.68 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.52 1.48 7.81 21 D 8.33 4.79 0.00 2.77 2.53 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 0.00 22 L 9.15 3.86 0.00 1.79 1.62 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 23 V 7.74 3.53 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 0.89 0.00 0.00 0.86 0.00 0.00 24 R 8.73 3.93 0.00 1.94 1.96 0.00 3.34 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.81 0.00 25 Q 8.09 3.99 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.64 0.00 26 I 7.57 3.75 1.97 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.80 0.91 0.00 0.00 27 E 8.29 3.95 0.00 2.14 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.62 0.00 28 E 8.46 3.97 0.00 2.18 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 2.57 0.00 29 F 8.18 4.12 0.00 3.05 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 30 L 8.17 3.63 0.00 1.78 1.78 0.90 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.06 3.88 0.00 2.11 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 2.36 2.46 0.00 32 E 7.88 3.83 0.00 1.89 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.29 0.00 33 K 7.50 4.09 0.00 1.12 1.46 0.00 1.66 0.00 0.00 1.49 0.00 0.00 2.92 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.56 0.22 7.81 34 G 7.34 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 7.81 4.09 1.75 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.62 0.88 0.00 0.00 36 H 8.68 4.76 0.00 3.16 3.28 0.00 5.61 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 A 7.52 5.26 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 A 7.95 4.44 1.13 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 0.00 0.00 0.00 0.00 0.00 39 H 8.61 5.23 0.00 3.16 3.08 0.00 5.54 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 40 I 8.65 4.99 1.78 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.72 0.85 0.00 0.00 41 S 8.54 5.20 0.00 3.94 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 42 A 8.49 5.18 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 43 I 8.81 4.54 1.89 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 1.18 0.67 0.93 0.00 0.00 44 G 7.79 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 9.06 5.18 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 46 V 9.12 4.87 2.34 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 0.74 0.00 0.00 0.96 0.00 0.00 47 R 8.89 4.33 0.00 1.62 1.95 0.00 2.68 0.00 0.00 3.32 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.50 0.00 48 S 7.51 4.68 0.00 3.92 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 A 8.35 4.83 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 50 V 9.10 4.79 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 1.05 0.00 0.00 0.92 0.00 0.00 51 I 7.77 5.49 2.02 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 1.15 2.06 0.94 0.00 0.00 52 G 7.87 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 0.00 0.00 0.00 0.00 53 Y 8.10 5.50 0.00 3.15 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 54 Y 8.74 4.81 0.00 2.91 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 55 D 8.43 4.63 0.00 2.69 2.38 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 56 Q 8.87 4.19 0.00 2.10 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.66 0.00 0.00 0.00 0.00 0.00 2.55 2.63 0.00 57 E 8.12 4.34 0.00 2.03 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 2.23 2.35 0.00 58 K 8.49 3.95 0.00 1.60 1.79 0.00 1.97 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 1.36 7.81 59 K 7.48 3.43 0.00 1.90 1.92 0.00 1.71 0.00 0.00 1.90 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.66 1.32 7.81 60 E 6.38 4.79 0.00 2.00 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 2.13 2.25 0.00 61 Y 8.72 4.86 0.00 3.07 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 62 V 8.88 4.18 0.69 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 0.80 0.00 0.00 0.68 0.00 0.00 63 K 8.52 4.92 0.00 1.54 1.57 0.00 1.29 0.00 0.00 1.38 0.00 0.00 2.53 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.65 1.17 7.81 64 K 9.22 4.56 0.00 1.79 1.63 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.24 1.40 7.81 65 E 8.83 4.81 0.00 1.84 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.28 0.00 66 L 8.46 4.63 0.00 1.43 1.36 0.63 -0.28 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 *68 E 8.55 4.25 0.00 1.94 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 2.19 2.34 0.00 69 P 0.00 4.64 0.00 1.87 1.81 0.00 3.66 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 1.96 2.07 0.00 70 L 9.05 4.85 0.00 1.56 1.52 1.05 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 71 E 8.77 4.52 0.00 2.09 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.43 0.00 72 I 8.79 4.20 2.06 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 1.25 0.62 0.93 0.00 0.00 73 L 8.91 4.24 0.00 1.65 1.73 0.92 1.08 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 74 S 7.66 4.56 0.00 3.87 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 75 L 8.38 5.04 0.00 1.70 1.62 0.91 0.80 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 76 S 8.94 4.99 0.00 3.92 3.62 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 77 G 8.24 4.14 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 0.00 0.00 0.00 78 N 8.30 5.59 0.00 3.05 3.02 0.00 0.00 6.86 7.78 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 79 V 8.78 5.06 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 0.98 0.00 0.00 0.89 0.00 0.00 80 S 8.97 5.13 0.00 4.15 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *82 K 9.19 4.11 0.00 1.58 1.53 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.24 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.02 1.08 7.81 83 D 9.33 4.55 0.00 2.78 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 84 S 8.25 3.80 0.00 4.10 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.82 4.44 0.00 1.80 1.76 0.00 1.64 0.00 0.00 1.78 0.00 0.00 3.10 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.64 1.41 7.81 86 P 0.00 4.31 0.00 2.18 2.37 0.00 3.67 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 87 F 9.82 4.88 0.00 3.08 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 88 C 7.76 4.77 0.00 2.53 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 89 H 8.92 4.71 0.00 3.28 3.30 0.00 5.54 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 I 8.04 5.00 1.74 0.00 0.00 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 1.25 0.36 0.85 0.00 0.00 91 H 9.13 5.40 0.00 2.98 3.12 0.00 5.58 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 V 8.66 5.03 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 0.81 0.00 0.00 0.93 0.00 0.00 93 L 8.99 5.25 0.00 1.55 1.54 0.94 0.71 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 94 L 10.37 5.19 0.00 1.72 1.61 0.95 0.86 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 95 G 7.30 3.71 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 0.00 0.00 0.00 96 K 8.49 4.63 0.00 1.88 1.87 0.00 1.46 0.00 0.00 1.65 0.00 0.00 3.20 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.32 1.37 7.81 97 D 8.47 4.25 0.00 2.81 1.75 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 98 G 8.90 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 99 E 8.20 4.09 0.00 1.92 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 1.90 2.07 0.00 100 V 7.56 4.72 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 0.90 0.00 0.00 0.86 0.00 0.00 101 Y 9.10 5.00 0.00 2.89 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 0.00 102 G 8.08 4.39 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 0.00 103 G 7.92 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 0.00 104 H 8.30 4.28 0.00 3.28 3.08 0.00 5.77 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 0.00 105 L 8.47 4.37 0.00 1.52 1.53 0.94 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 106 F 8.76 4.77 0.00 3.16 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 0.00 107 S 7.86 4.76 0.00 4.08 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 0.00 108 A 8.57 4.82 1.22 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 0.00 109 E 8.70 4.44 0.00 2.06 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 2.13 2.15 0.00 110 V 8.72 3.90 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 0.70 0.00 0.00 0.91 0.00 0.00 111 F 8.93 4.39 0.00 3.00 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 A 7.75 4.55 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 0.00 113 C 8.72 5.14 0.00 2.96 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 0.00 114 E 9.01 5.06 0.00 1.96 1.84 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 2.21 2.22 0.00 115 V 8.67 4.67 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.89 0.00 0.00 116 F 9.58 5.49 0.00 3.06 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 0.00 117 V 8.79 4.39 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.84 0.00 0.00 118 L 8.09 4.78 0.00 1.26 1.34 1.06 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 119 P 0.00 4.73 0.00 2.15 2.13 0.00 3.92 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.24 0.00 120 L 8.73 4.57 0.00 0.59 0.65 0.35 0.63 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 0.00 121 S 9.16 4.46 0.00 3.96 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 0.00 122 G 8.37 4.20 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 0.00 123 E 8.30 4.15 0.00 1.93 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 2.27 2.23 0.00 124 A 8.57 4.28 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 0.00 125 P 0.00 4.12 0.00 0.49 0.49 0.00 3.43 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.44 0.00 126 E 8.69 4.79 0.00 2.01 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 2.32 2.34 0.00 127 R 8.73 5.03 0.00 1.69 1.96 0.00 3.03 0.00 0.00 3.32 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.95 0.00 128 A 9.40 5.09 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 F 9.11 3.77 0.00 2.66 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 0.00 130 D 7.62 4.50 0.00 2.58 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 0.00 0.00 0.00 0.00 131 E 8.88 3.75 0.00 1.97 1.93 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 2.31 2.37 0.00 132 Q 8.15 4.08 0.00 1.98 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.68 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 133 T 7.95 4.24 4.13 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 0.00 0.00 1.13 0.00 0.00 134 G 8.09 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 0.00 135 L 7.02 4.29 0.00 1.30 1.41 -0.17 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 136 F 8.64 4.76 0.00 2.82 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 0.00 137 L 8.21 4.48 0.00 1.55 1.46 0.85 0.65 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 0.00 138 W 8.37 4.92 0.00 3.48 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 0.00 139 L 8.79 4.75 0.00 1.73 1.74 1.00 0.82 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 0.00 140 E 8.10 4.75 0.00 1.98 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 2.15 2.21 0.00 * Residues marked with a * may have inaccurate shift predictions.