NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.6277 8.2233 120.1945 53.8337 42.6819 176.3822 3 D 4.3177 8.6320 125.6444 56.5308 40.6857 177.5981 4 R 3.9239 8.3611 119.2655 59.1980 30.6543 177.6788 5 L 3.9547 7.9538 119.7440 58.1718 41.8603 178.6353 6 F 4.2179 8.0313 119.2795 61.4812 39.4686 177.0445 7 R 3.9182 7.9655 116.4394 59.1436 29.8937 178.4597 8 N 4.4131 8.3205 115.6391 56.1220 38.7689 177.9763 9 A 4.0896 7.8435 118.5840 52.8750 18.2508 179.1590 *11 G 3.7001 8.0717 110.0414 46.5303 0.0000 175.5399 12 K 3.9806 7.8987 118.3218 57.8314 32.2989 176.8149 13 F 4.6016 8.0649 121.0714 56.6138 38.8811 174.7359 14 A 4.6602 8.1557 130.6118 52.3803 19.0302 176.1666 15 T 4.5631 8.6809 109.9433 59.8624 73.1241 174.1230 16 G 4.3438 8.5577 109.5106 45.0947 0.0000 172.4663 17 V 4.7712 8.3290 118.2772 61.2405 34.8616 174.8684 18 T 5.0882 8.8123 116.7690 59.9629 72.7494 172.5602 19 V 4.4733 8.5621 122.2766 61.1182 34.2266 174.3228 20 I 4.7511 8.1753 128.7130 60.6789 38.6821 174.8350 21 T 5.1210 8.9536 117.0574 60.4850 72.3383 172.6345 22 T 4.8185 8.5623 116.4367 61.2314 71.9015 171.4768 23 E 5.0655 8.5696 123.8520 54.1614 32.2038 174.5595 24 L 4.6617 8.6916 127.9687 54.5656 45.3438 175.7805 25 N 4.1899 9.9810 122.2832 54.4082 36.1670 174.2764 26 G 4.1217 8.4016 106.3010 45.0924 0.0000 173.6689 27 A 4.4951 8.0390 122.0922 50.4874 20.6168 175.5420 28 V 4.4553 7.8796 120.7953 61.7197 32.8966 174.8130 29 H 5.0136 9.0699 124.8034 54.1831 32.1935 173.3207 30 G 4.7795 8.4557 107.6979 44.7255 0.0000 171.2267 *32 T 4.3649 8.3939 114.8907 63.3462 69.6267 173.6220 33 A 4.7734 8.8877 128.8574 50.3994 22.0888 175.7317 34 N 5.0040 8.7706 116.2533 52.4886 39.2115 175.4734 35 A 4.4245 7.7445 124.0947 50.9225 17.1192 175.2445 36 F 5.5661 7.6548 122.4371 54.5453 43.5024 173.4539 *38 S 3.9988 8.2888 115.2435 58.1432 62.6898 171.7279 39 V 4.1688 8.2565 124.9103 63.6783 33.4898 175.2350 40 S 4.7120 7.4854 112.9933 56.3420 65.6654 174.1745 41 L 4.0376 8.6283 127.4392 56.6176 42.4458 176.2853 42 N 4.7967 7.7829 116.7374 50.5351 40.0144 172.2459 43 P 4.4902 0.0000 0.0000 61.5601 32.9537 176.3251 44 K 4.4766 8.3591 117.4565 56.1314 32.2849 176.3093 45 L 5.5655 8.9041 125.5299 52.8118 45.7814 176.2580 46 V 4.8534 8.8167 120.1860 60.2830 35.1648 173.7480 47 L 5.4716 8.1758 121.8369 53.6465 45.8413 175.0216 48 V 4.8682 8.8188 123.3319 60.0577 35.4169 174.0015 49 S 5.1820 8.7675 116.6089 56.7141 64.7195 173.1387 50 I 4.6502 8.7705 127.8590 59.0438 40.4112 175.5241 51 G 3.6593 8.6721 114.1300 45.8824 0.0000 174.2670 52 E 4.0650 8.8137 121.6508 58.8923 29.5469 178.1888 53 K 4.2552 7.9009 115.5009 56.0717 32.5409 176.0625 54 A 4.3970 7.7070 123.4861 51.0345 18.9059 179.1264 55 K 3.8275 8.5943 125.3838 56.3245 32.3810 179.0277 *57 L 4.3379 7.9582 120.4029 55.0647 44.1956 178.0710 58 E 4.1695 8.1132 116.3642 59.5782 29.3997 178.9352 59 K 3.8496 7.6589 118.4286 59.3796 32.0326 179.3412 60 I 3.6650 7.4361 119.3521 64.1896 36.8565 178.0638 61 Q 4.1432 7.8710 118.0866 59.0787 28.5774 179.0237 62 Q 4.1767 7.9272 118.1815 58.9158 29.1664 178.4443 63 S 4.2070 7.9943 113.4755 59.1260 63.1923 174.7280 64 K 3.9943 8.4751 120.6386 56.6384 30.1183 174.2428 65 K 5.1517 7.6473 116.1387 56.0644 36.0702 174.5483 66 Y 5.0078 8.1220 116.3081 56.3312 41.5184 172.9977 67 A 5.1911 9.1544 122.6319 50.2223 22.8325 175.2666 68 V 4.4422 8.8680 120.3750 61.1572 34.1162 174.2881 69 N 5.1178 9.0774 126.1606 51.4419 40.7058 173.9424 70 I 4.3005 8.3908 126.4515 60.9178 38.4834 175.7711 71 L 4.9153 9.0129 128.2874 54.1957 43.2873 176.9515 72 S 4.7966 9.1492 118.0487 57.2167 64.6079 174.8009 73 Q 3.9633 8.8812 122.1052 59.3574 28.6501 177.2885 74 D 4.6873 7.9129 114.9106 54.7745 41.3025 176.5388 75 Q 4.6190 7.8634 119.0421 55.2527 29.5153 177.7138 76 K 3.4835 8.1833 121.6417 59.4560 32.3107 178.0849 77 V 3.6782 7.6371 117.0652 65.7432 31.8873 176.9086 78 L 4.1060 7.9374 119.5157 57.9086 41.4055 179.1874 79 S 4.1992 7.9648 108.9572 59.6996 62.3432 174.9486 *81 N 4.4842 8.2015 117.7288 53.5910 39.9623 175.8403 82 F 4.5176 8.4063 113.1302 58.3289 39.0161 175.8971 83 A 4.5218 7.7126 121.9520 51.3531 19.0937 177.3560 84 G 3.8914 7.9327 103.9400 47.1887 0.0000 174.9649 85 Q 4.4200 8.1993 116.7040 55.2945 29.5933 175.4940 86 L 4.7314 7.4118 118.2590 52.5397 43.8188 176.1391 87 E 4.0451 9.0083 123.0219 58.5691 29.6351 177.3415 88 K 4.5184 7.6162 118.2775 53.4345 34.2309 173.7973 89 P 4.4645 0.0000 0.0000 62.6963 31.9403 176.4345 90 V 3.9173 8.0436 115.0254 60.2817 32.6431 176.3382 91 D 4.4719 8.2771 122.0092 53.4774 40.1123 175.5896 92 V 3.7678 7.9224 126.3094 61.7519 32.7123 175.4863 93 Q 4.2505 8.1928 125.9221 55.2682 29.3351 174.7664 94 F 5.3556 8.6129 123.1941 56.3487 41.3737 175.6513 95 E 4.8585 9.2488 119.0412 55.1334 32.9911 173.6985 96 E 5.0214 8.6938 118.2337 54.9814 32.8922 175.7436 97 L 4.3159 9.2145 126.2201 55.1792 45.2868 175.4415 98 G 4.2381 9.3139 114.6878 45.4923 0.0000 174.0119 99 G 3.9040 8.5224 105.0889 44.9545 0.0000 173.8065 100 L 4.8949 7.6502 119.9706 51.7112 44.7774 174.1352 101 P 4.8434 0.0000 0.0000 63.1183 31.9911 175.8807 102 V 4.7423 9.0425 116.5210 59.4937 36.5463 174.4418 103 I 4.4430 9.0265 123.8913 59.7617 38.3489 175.8558 104 K 4.2040 8.2043 128.6332 57.4066 32.4371 176.3628 105 D 4.5119 8.9501 123.4841 54.4847 38.3134 174.0691 106 A 4.3324 7.4374 121.6777 52.1520 19.1154 177.8967 107 L 4.1616 8.8403 122.4202 57.5625 43.2213 176.8989 108 A 5.0994 7.6403 117.5152 50.8884 22.9297 175.1223 109 Q 4.9334 9.4296 118.6372 54.2211 33.1147 174.6707 110 I 4.9030 8.6240 123.8585 59.8463 41.1826 174.3680 111 S 4.9634 9.0538 124.1729 57.3356 64.9031 173.3862 112 C 5.1775 8.9308 120.9524 58.0334 32.7427 172.7555 113 Q 4.7852 8.4875 120.5601 53.8138 30.8141 175.3824 114 V 4.2836 8.6956 125.3210 63.5262 31.5666 175.9764 115 V 4.4866 8.8623 120.1894 61.4454 33.8241 175.0928 116 N 4.9579 7.9090 117.5830 52.5008 42.5450 172.8318 117 E 4.7977 8.6122 124.1093 54.7123 32.6288 174.4355 118 V 4.2991 8.3597 127.4823 60.7822 34.2053 174.4673 119 Q 4.4771 8.7017 129.5204 56.1140 30.1469 175.7763 120 A 4.3929 9.3299 129.3608 51.1956 21.4538 177.5800 121 G 3.8060 8.3832 114.3383 47.2220 0.0000 174.6345 122 D 4.5222 8.8414 125.9176 56.4828 40.9225 174.9272 123 H 5.4046 8.2918 115.5179 54.3892 34.0401 172.1980 124 T 4.8481 9.1147 116.4111 61.7885 71.8133 173.3130 125 L 4.8029 8.7082 126.7759 53.6808 43.5031 175.6990 126 F 5.0696 9.0190 124.2782 56.0484 40.5923 175.1538 127 I 4.7276 8.7019 126.2848 60.4453 38.6125 175.5029 128 G 4.4103 9.6193 114.0372 44.2937 0.0000 171.0643 129 E 4.9005 9.1056 125.6972 54.9005 31.2261 175.2843 130 V 4.2558 8.4759 128.2155 63.1662 31.5574 175.4862 131 T 4.4927 8.9798 118.4141 62.8853 70.5682 174.6450 132 D 4.8980 7.7354 119.6046 52.8324 45.6240 174.5665 133 I 5.0493 8.2040 120.9503 59.6887 41.6184 174.6629 134 K 4.6386 9.1886 126.2965 55.0173 35.5700 174.9447 135 I 5.0236 8.5308 127.1555 59.7430 40.5379 174.2771 136 T 4.6802 8.7525 114.2753 59.8185 72.7640 173.7890 137 E 4.5398 8.4355 117.7387 56.2458 29.8645 176.7455 138 Q 4.2550 7.8644 117.4311 55.8586 29.6825 175.4462 139 D 4.8682 8.3167 119.2235 53.2981 42.5061 174.1897 140 P 5.0313 0.0000 0.0000 61.8418 33.0984 175.3981 141 L 4.2482 8.5178 124.8055 55.3294 43.1305 175.7311 142 L 5.3562 8.8896 125.5375 53.0133 45.7807 175.1484 143 F 5.3849 9.2776 123.1853 56.6430 42.7664 173.4305 144 F 4.7852 8.9432 127.6109 57.7090 43.2655 174.1823 145 S 3.0971 8.7420 122.1378 59.4421 60.7574 173.5338 146 G 3.5725 7.5486 104.8778 45.3579 0.0000 173.9597 147 K 4.4899 6.8034 118.0357 54.0898 35.8380 175.0174 148 Y 5.0747 8.2508 118.5019 58.6657 38.9521 174.4891 149 H 5.0971 9.5035 119.1096 54.7517 34.1728 171.9378 150 Q 4.9648 8.4866 116.8570 53.8426 32.6039 175.8324 151 L 4.0191 8.5411 121.0793 54.3090 42.3302 177.3011 152 A 4.0305 8.5123 126.0341 52.6939 18.8973 177.5274 153 Q 4.2289 8.6010 120.7388 56.0119 29.0329 175.6579 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 D 8.22 4.63 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 3 D 8.63 4.32 0.00 2.87 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 4 R 8.36 3.92 0.00 1.90 2.06 0.00 3.19 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 5 L 7.95 3.95 0.00 1.82 1.89 0.93 0.91 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 6 F 8.03 4.22 0.00 3.03 3.25 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 7 R 7.97 3.92 0.00 1.98 1.97 0.00 3.30 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.80 0.00 8 N 8.32 4.41 0.00 2.85 2.81 0.00 0.00 7.02 6.89 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 9 A 7.84 4.09 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 *11 G 8.07 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 12 K 7.90 3.98 0.00 1.94 1.98 0.00 1.67 0.00 0.00 1.27 0.00 0.00 2.76 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.61 1.49 7.81 13 F 8.06 4.60 0.00 2.95 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 14 A 8.16 4.66 1.07 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 15 T 8.68 4.56 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 1.37 0.00 0.00 16 G 8.56 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 17 V 8.33 4.77 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 1.16 0.00 0.00 18 T 8.81 5.09 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 0.95 0.00 0.00 19 V 8.56 4.47 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 0.08 0.00 0.00 0.88 0.00 0.00 20 I 8.18 4.75 1.77 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.60 0.80 0.00 0.00 21 T 8.95 5.12 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 1.10 0.00 0.00 22 T 8.56 4.82 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 1.18 0.00 0.00 23 E 8.57 5.07 0.00 1.88 1.72 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 2.27 2.17 0.00 24 L 8.69 4.66 0.00 1.69 1.45 0.91 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 25 N 9.98 4.19 0.00 2.87 2.83 0.00 0.00 7.16 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 26 G 8.40 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.04 4.50 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 28 V 7.88 4.46 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 0.54 0.00 0.00 29 H 9.07 5.01 0.00 3.05 3.15 0.00 5.61 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 G 8.46 4.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *32 T 8.39 4.36 4.29 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 1.29 0.00 0.00 33 A 8.89 4.77 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 34 N 8.77 5.00 0.00 3.02 2.90 0.00 0.00 6.06 7.26 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 35 A 7.74 4.42 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 36 F 7.65 5.57 0.00 2.90 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *38 S 8.29 4.00 0.00 3.84 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 V 8.26 4.17 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 0.81 0.00 0.00 0.89 0.00 0.00 40 S 7.49 4.71 0.00 3.83 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 41 L 8.63 4.04 0.00 1.62 1.66 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 42 N 7.78 4.80 0.00 2.70 2.72 0.00 0.00 6.92 8.02 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 43 P 0.00 4.49 0.00 2.18 2.08 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 44 K 8.36 4.48 0.00 1.74 1.83 0.00 1.61 0.00 0.00 1.83 0.00 0.00 2.81 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.54 7.81 45 L 8.90 5.57 0.00 1.55 1.54 0.93 0.97 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 46 V 8.82 4.85 2.23 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 1.13 0.00 0.00 1.07 0.00 0.00 47 L 8.18 5.47 0.00 1.71 1.43 0.91 0.74 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 48 V 8.82 4.87 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 0.22 0.00 0.00 1.04 0.00 0.00 49 S 8.77 5.18 0.00 3.92 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 I 8.77 4.65 2.15 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.62 0.97 0.00 0.00 51 G 8.67 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 52 E 8.81 4.07 0.00 2.08 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 0.00 2.37 2.29 0.00 53 K 7.90 4.26 0.00 1.76 1.88 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.42 7.81 54 A 7.71 4.40 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 55 K 8.59 3.83 0.00 1.83 1.85 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.84 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.46 7.81 *57 L 7.96 4.34 0.00 1.81 1.79 1.07 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.11 4.17 0.00 2.20 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 2.50 2.34 0.00 59 K 7.66 3.85 0.00 1.72 1.81 0.00 1.33 0.00 0.00 1.52 0.00 0.00 2.83 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.59 1.47 7.81 60 I 7.44 3.66 1.00 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.43 0.19 0.00 0.00 61 Q 7.87 4.14 0.00 2.27 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.96 0.00 0.00 0.00 0.00 0.00 2.93 2.87 0.00 62 Q 7.93 4.18 0.00 2.02 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.01 0.00 0.00 0.00 0.00 0.00 2.39 2.55 0.00 63 S 7.99 4.21 0.00 4.02 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 64 K 8.48 3.99 0.00 1.94 1.93 0.00 1.70 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.39 1.52 7.81 65 K 7.65 5.15 0.00 1.78 1.68 0.00 1.61 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.35 7.81 66 Y 8.12 5.01 0.00 3.09 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 A 9.15 5.19 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 68 V 8.87 4.44 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 0.13 0.00 0.00 1.15 0.00 0.00 69 N 9.08 5.12 0.00 2.59 2.66 0.00 0.00 6.61 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 I 8.39 4.30 1.84 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 1.05 0.57 0.91 0.00 0.00 71 L 9.01 4.92 0.00 1.64 1.56 0.99 0.55 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 72 S 9.15 4.80 0.00 3.97 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 73 Q 8.88 3.96 0.00 2.15 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.01 0.00 0.00 0.00 0.00 0.00 2.39 2.56 0.00 74 D 7.91 4.69 0.00 2.71 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 75 Q 7.86 4.62 0.00 2.22 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.77 0.00 0.00 0.00 0.00 0.00 2.23 2.22 0.00 76 K 8.18 3.48 0.00 1.47 1.66 0.00 1.44 0.00 0.00 1.43 0.00 0.00 2.84 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.05 0.31 7.81 77 V 7.64 3.68 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.87 0.00 0.00 78 L 7.94 4.11 0.00 1.94 1.91 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 79 S 7.96 4.20 0.00 3.89 3.86 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 *81 N 8.20 4.48 0.00 2.75 2.65 0.00 0.00 7.14 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 82 F 8.41 4.52 0.00 3.09 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 83 A 7.71 4.52 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 G 7.93 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 85 Q 8.20 4.42 0.00 2.08 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.85 6.65 0.00 0.00 0.00 0.00 0.00 2.32 2.55 0.00 86 L 7.41 4.73 0.00 1.55 1.53 0.85 0.90 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 87 E 9.01 4.05 0.00 1.94 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 2.31 2.25 0.00 88 K 7.62 4.52 0.00 1.65 1.63 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.27 1.39 7.81 89 P 0.00 4.46 0.00 2.02 1.87 0.00 3.69 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 1.99 2.06 0.00 90 V 8.04 3.92 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 0.57 0.00 0.00 0.79 0.00 0.00 91 D 8.28 4.47 0.00 2.59 2.58 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 92 V 7.92 3.77 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 0.38 0.00 0.00 0.82 0.00 0.00 93 Q 8.19 4.25 0.00 1.91 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.65 0.00 0.00 0.00 0.00 0.00 2.32 2.27 0.00 94 F 8.61 5.36 0.00 2.96 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 95 E 9.25 4.86 0.00 1.97 2.07 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 2.21 2.26 0.00 96 E 8.69 5.02 0.00 1.90 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 2.16 2.25 0.00 97 L 9.21 4.32 0.00 1.70 1.44 0.92 1.17 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 98 G 9.31 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 99 G 8.52 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 0.00 0.00 0.00 100 L 7.65 4.89 0.00 1.70 1.52 0.95 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 101 P 0.00 4.84 0.00 1.68 1.81 0.00 3.63 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 1.81 1.79 0.00 102 V 9.04 4.74 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 0.75 0.00 0.00 0.98 0.00 0.00 103 I 9.03 4.44 1.83 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.14 0.84 0.00 0.00 104 K 8.20 4.20 0.00 1.77 1.71 0.00 1.73 0.00 0.00 1.53 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.37 7.81 105 D 8.95 4.51 0.00 2.86 2.79 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 0.00 106 A 7.44 4.33 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 L 8.84 4.16 0.00 1.79 1.90 0.99 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 108 A 7.64 5.10 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 0.00 109 Q 9.43 4.93 0.00 1.90 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.70 0.00 0.00 0.00 0.00 0.00 2.42 2.29 0.00 110 I 8.62 4.90 1.89 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 1.28 0.67 0.98 0.00 0.00 111 S 9.05 4.96 0.00 3.71 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 0.00 112 C 8.93 5.18 0.00 1.76 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 0.00 0.00 0.00 0.00 113 Q 8.49 4.79 0.00 1.91 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.99 0.00 0.00 0.00 0.00 0.00 2.22 2.38 0.00 114 V 8.70 4.28 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 1.02 0.00 0.00 1.13 0.00 0.00 115 V 8.86 4.49 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 0.78 0.00 0.00 1.02 0.00 0.00 116 N 7.91 4.96 0.00 2.79 2.62 0.00 0.00 6.58 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 0.00 117 E 8.61 4.80 0.00 1.95 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 2.01 1.74 0.00 118 V 8.36 4.30 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 0.90 0.00 0.00 0.89 0.00 0.00 119 Q 8.70 4.48 0.00 2.05 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.70 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 120 A 9.33 4.39 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 8.38 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 D 8.84 4.52 0.00 2.85 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 0.00 123 H 8.29 5.40 0.00 3.20 3.15 0.00 5.75 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 0.00 124 T 9.11 4.85 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 125 L 8.71 4.80 0.00 1.48 1.57 0.89 0.80 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 0.00 126 F 9.02 5.07 0.00 2.89 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 0.00 127 I 8.70 4.73 1.94 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 1.20 0.79 1.01 0.00 0.00 128 G 9.62 4.41 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 0.00 129 E 9.11 4.90 0.00 2.03 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 2.25 2.42 0.00 130 V 8.48 4.26 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 0.82 0.00 0.00 0.97 0.00 0.00 131 T 8.98 4.49 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 132 D 7.74 4.90 0.00 2.55 2.52 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 0.00 133 I 8.20 5.05 1.88 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 0.61 0.93 0.00 0.00 134 K 9.19 4.64 0.00 1.76 1.58 0.00 1.57 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.41 7.81 135 I 8.53 5.02 1.88 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 1.42 0.81 0.92 0.00 0.00 136 T 8.75 4.68 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 137 E 8.44 4.54 0.00 1.96 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 2.22 2.24 0.00 138 Q 7.86 4.26 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.94 6.94 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 139 D 8.32 4.87 0.00 2.60 2.58 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 0.00 140 P 0.00 5.03 0.00 2.10 2.06 0.00 3.78 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 141 L 8.52 4.25 0.00 1.99 1.64 0.90 0.54 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 0.00 142 L 8.89 5.36 0.00 1.78 1.60 0.94 0.80 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 0.00 143 F 9.28 5.38 0.00 3.03 2.91 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 0.00 144 F 8.94 4.79 0.00 3.00 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 0.00 145 S 8.74 3.10 0.00 3.35 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 G 7.55 3.57 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 0.00 0.00 0.00 147 K 6.80 4.49 0.00 1.66 1.52 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.25 1.23 7.81 148 Y 8.25 5.07 0.00 2.97 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 0.00 149 H 9.50 5.10 0.00 3.10 3.18 0.00 5.56 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 Q 8.49 4.96 0.00 1.91 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.93 0.00 0.00 0.00 0.00 0.00 2.28 2.40 0.00 151 L 8.54 4.02 0.00 1.63 1.59 0.92 0.77 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 A 8.51 4.03 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 0.00 153 Q 8.60 4.23 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.60 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 * Residues marked with a * may have inaccurate shift predictions.