NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.2805 8.3344 116.7923 58.4970 64.1888 173.1352 3 S 4.3030 8.4480 117.1936 56.5094 61.8176 171.1021 4 H 5.0191 9.6541 128.9756 53.3421 32.9854 172.4972 5 P 4.2793 0.0000 0.0000 66.1321 31.0449 178.4119 6 I 3.6566 8.0269 116.7580 63.9786 37.6805 177.4538 7 F 4.4920 8.3265 117.3536 59.5454 38.7321 175.7421 8 H 4.8891 8.2787 116.3461 57.1389 31.4046 175.1010 9 R 4.5751 8.2882 116.8248 55.2959 30.5714 176.5533 10 G 3.5102 7.7155 109.0099 44.3657 0.0000 172.9151 11 E 3.9718 7.9092 118.6881 54.7834 30.0250 176.3376 12 F 4.9296 8.0742 122.1450 55.9256 41.6327 175.0276 13 S 4.8164 8.3366 117.3436 57.4287 64.4686 175.3399 14 V 3.9143 8.1751 115.6856 63.4587 31.9275 176.9464 15 C 5.2849 7.7949 115.6256 55.0704 41.1155 173.5229 16 D 4.9427 8.7185 123.2659 53.6860 42.2706 175.6740 17 S 5.2879 8.3897 116.9708 56.9090 67.0452 173.1641 18 V 4.4054 8.2587 117.7778 60.9995 34.5110 173.2650 19 S 4.9497 8.5806 121.0820 57.0278 64.7652 173.6419 20 V 4.3731 8.2260 116.1129 59.8211 36.8965 173.8498 21 W 5.2021 8.7380 121.5163 55.4280 30.6306 176.1179 22 V 4.3004 9.7042 127.1375 61.4667 32.1206 176.1922 23 G 3.8226 9.1030 115.6570 45.1770 0.0000 171.9808 24 D 4.8896 8.0014 117.3227 52.4657 39.7606 175.9141 25 K 4.1778 8.1239 121.1903 57.2805 32.8729 176.3694 26 T 4.9467 8.5237 113.8937 61.3879 71.2152 173.2033 27 T 5.1874 7.5860 110.0213 60.2208 72.4503 172.3732 28 A 4.4330 8.2667 122.6203 51.9474 23.6773 174.9285 29 T 4.9997 7.9496 109.2164 60.3394 71.6404 175.0800 30 D 5.2489 9.0822 124.3147 51.9259 41.5957 176.3928 31 I 3.5269 8.2094 117.6710 63.5449 38.0495 177.0341 32 K 4.2105 8.2022 117.9183 56.1064 31.9233 177.3511 33 G 3.9155 8.0268 106.7853 45.5900 0.0000 173.9732 34 K 4.2819 8.6122 121.9391 55.6549 33.6707 175.4636 35 E 4.7634 8.6764 127.6253 55.9122 30.4680 175.8560 36 V 4.6406 9.3172 125.9359 60.2011 35.7265 174.0386 37 M 4.8600 8.4887 120.7964 54.3617 33.8384 175.1551 38 V 4.6147 8.5037 124.1867 61.1080 31.6454 175.5669 39 L 4.1985 8.9898 129.1079 54.8169 42.2292 178.6569 40 G 3.8658 8.9504 110.0850 48.7502 0.0000 172.6107 41 E 5.4769 7.7028 115.9952 55.2232 34.2342 174.8080 42 V 4.7715 8.4285 112.9916 60.6381 36.9667 174.1468 43 N 5.2085 8.3283 118.1086 51.8553 39.7068 174.0065 44 I 3.9290 8.3313 124.6152 61.1691 37.4953 176.3948 45 N 4.1383 8.1592 125.8408 53.7064 37.2595 174.1286 46 N 4.3060 7.0722 127.8804 55.1274 44.1687 177.0155 47 S 4.5056 8.2803 125.6227 58.6765 64.3537 172.7500 48 V 4.5817 7.9758 113.2467 59.9475 32.9181 175.6407 49 F 4.5400 8.9756 123.2457 55.3525 40.6918 175.2048 50 K 4.2091 8.6609 126.4043 56.1771 32.7567 175.9861 51 Q 4.0476 8.8498 129.7737 56.7116 29.2171 174.7648 52 Y 5.0470 8.3279 123.6513 56.1911 41.5478 175.2089 53 F 5.1126 9.5077 120.3354 55.7748 43.3297 173.9412 54 F 4.4231 9.3218 125.5874 57.4000 39.8389 174.4263 55 E 4.9546 8.3439 125.7722 53.7617 33.1262 175.3522 56 T 5.0158 8.2984 118.8782 61.7069 72.0559 173.1171 57 K 4.6967 8.4850 124.2375 54.7553 36.9623 174.5253 58 C 4.8066 8.6836 118.1451 56.9403 40.5696 174.0791 59 R 4.1011 9.3322 125.2892 56.8290 30.5279 176.6624 60 D 4.1766 7.9940 125.9221 54.1026 39.5073 175.6350 *67 G 4.0121 7.9351 115.9185 45.3246 0.0000 170.9144 68 C 4.6501 7.9819 117.8457 55.5464 41.6109 173.4141 69 R 4.0695 8.4740 122.5611 57.3715 30.0846 176.4814 70 G 3.9415 8.6854 111.3433 46.4245 0.0000 173.2635 71 I 4.0701 7.5248 119.4585 60.0454 38.2726 176.2718 72 D 4.6213 8.4361 124.1778 53.5677 39.3822 176.6736 73 S 4.7314 8.3369 118.4198 58.9891 63.0760 175.4167 74 K 4.2407 8.3936 122.0011 58.3232 32.4427 176.7101 75 H 4.8205 8.3637 113.0571 54.8514 31.1159 173.7070 76 W 5.6280 8.0598 117.6986 55.0204 33.3282 174.4779 77 N 5.0981 9.7655 121.6538 52.6690 40.6729 173.8911 78 S 5.6199 8.6494 112.5314 59.4343 66.0595 173.4552 79 Y 4.9210 7.8659 116.9753 56.5012 40.8500 173.8413 80 C 5.2299 8.8061 117.9606 56.3527 41.8882 172.9705 81 T 4.8262 8.8283 115.6494 61.1905 71.1098 172.4801 82 T 4.7230 8.5026 123.9016 63.3946 69.4632 174.4327 83 T 4.4657 8.3535 116.1166 60.5879 72.1903 172.6764 84 H 5.4206 8.2836 118.3217 54.5697 32.5073 172.6538 85 T 4.5333 8.1783 111.5173 61.3586 71.3231 172.4774 86 F 5.2644 8.5995 123.5837 55.7783 40.8399 175.4741 87 V 4.7804 8.8577 123.3221 60.6484 34.8038 174.8523 88 K 3.6396 8.4288 127.5332 56.5373 32.8497 175.5215 89 A 4.1918 7.1178 123.8803 50.6772 23.4265 175.4116 90 L 5.0296 9.5200 124.0653 55.1554 43.1931 175.9911 91 T 5.1811 9.3587 116.5347 60.3468 73.1208 172.7655 92 M 5.0705 9.2304 123.1009 53.3307 32.9413 175.8755 93 D 4.4091 8.5522 123.9650 54.5675 39.5942 177.9283 94 G 4.0027 10.0235 108.0180 45.5653 0.0000 173.3510 95 K 4.6845 7.4127 118.6481 56.7752 40.3500 175.5303 96 Q 4.5103 8.9633 118.3763 53.8039 32.4300 173.2701 97 A 4.8119 8.4962 123.4163 51.9731 19.0022 176.8410 98 A 4.7090 9.3778 123.7014 50.1987 23.4839 175.3387 99 W 5.1596 8.9350 130.7995 57.2419 31.0803 175.6246 100 R 4.6714 8.7145 126.1945 54.1231 34.3151 174.7870 101 F 4.7203 8.7240 120.6821 57.2921 40.0680 174.7008 102 I 4.8045 9.2048 118.1094 58.9886 40.7889 174.5621 103 R 4.5032 8.5390 124.8404 55.5798 30.7164 175.6293 104 I 4.7146 8.1385 119.0183 58.6775 41.2916 174.5338 105 D 4.6884 8.5996 123.1259 55.3549 41.4166 176.7386 106 T 4.6626 8.3913 113.5241 61.5696 70.1285 172.4781 107 A 4.3937 7.3465 120.8053 52.1077 22.8989 175.2674 108 C 5.0923 8.7145 118.1257 55.3645 43.3735 173.4274 109 V 4.5205 8.7878 119.2367 59.5638 35.3861 173.6291 110 C 4.9595 8.4738 121.8548 55.4026 46.0251 172.6189 111 V 4.1702 8.5782 126.4905 61.0416 33.0177 174.3763 112 L 5.0659 8.2322 127.6182 53.9325 43.5315 176.2322 113 S 4.8237 8.9192 116.2680 57.1119 66.0077 173.9632 114 R 4.1049 9.0392 126.2050 56.4129 30.8947 176.8116 115 K 4.2134 7.9103 119.6925 56.5704 31.9960 176.3352 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 8.33 4.28 0.00 3.93 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 3 S 8.45 4.30 0.00 3.89 3.82 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 0.00 0.00 0.00 4 H 9.65 5.02 0.00 3.38 3.34 0.00 5.76 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.28 0.00 2.09 2.12 0.00 3.59 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 1.90 1.98 0.00 6 I 8.03 3.66 1.87 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.51 0.41 0.00 0.00 7 F 8.33 4.49 0.00 3.21 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 8 H 8.28 4.89 0.00 3.23 3.56 0.00 5.91 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 R 8.29 4.58 0.00 1.80 1.97 0.00 3.27 0.00 0.00 3.26 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.86 0.00 10 G 7.72 3.51 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 E 7.91 3.97 0.00 1.77 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 2.11 2.15 0.00 12 F 8.07 4.93 0.00 3.04 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 13 S 8.34 4.82 0.00 3.90 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 14 V 8.18 3.91 2.05 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 0.76 0.00 0.00 0.89 0.00 0.00 15 C 7.79 5.28 0.00 2.76 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 16 D 8.72 4.94 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 17 S 8.39 5.29 0.00 3.88 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 18 V 8.26 4.41 2.05 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 0.57 0.00 0.00 0.89 0.00 0.00 19 S 8.58 4.95 0.00 3.59 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 20 V 8.23 4.37 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 0.62 0.00 0.00 0.86 0.00 0.00 21 W 8.74 5.20 0.00 3.16 3.03 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 22 V 9.70 4.30 2.32 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 1.19 0.00 0.00 1.07 0.00 0.00 23 G 9.10 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 24 D 8.00 4.89 0.00 2.78 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 25 K 8.12 4.18 0.00 1.81 1.83 0.00 1.14 0.00 0.00 1.40 0.00 0.00 2.56 0.00 0.00 2.34 0.00 0.00 0.00 0.00 1.45 1.33 7.81 26 T 8.52 4.95 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 1.26 0.00 0.00 27 T 7.59 5.19 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 1.21 0.00 0.00 28 A 8.27 4.43 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 T 7.95 5.00 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 1.20 0.00 0.00 30 D 9.08 5.25 0.00 2.91 2.90 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 31 I 8.21 3.53 1.55 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 -0.08 0.82 0.00 0.00 32 K 8.20 4.21 0.00 1.77 1.80 0.00 2.09 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.41 7.81 33 G 8.03 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 34 K 8.61 4.28 0.00 2.06 1.74 0.00 1.63 0.00 0.00 1.58 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.39 7.81 35 E 8.68 4.76 0.00 2.02 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 2.28 2.30 0.00 36 V 9.32 4.64 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 0.70 0.00 0.00 0.98 0.00 0.00 37 M 8.49 4.86 0.00 2.01 2.03 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 2.64 2.53 0.00 38 V 8.50 4.61 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 0.87 0.00 0.00 0.86 0.00 0.00 39 L 8.99 4.20 0.00 1.80 1.76 0.97 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 40 G 8.95 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 41 E 7.70 5.48 0.00 1.77 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 2.23 2.31 0.00 42 V 8.43 4.77 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 0.89 0.00 0.00 1.10 0.00 0.00 43 N 8.33 5.21 0.00 2.88 2.77 0.00 0.00 6.36 7.81 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 44 I 8.33 3.93 1.87 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 1.33 0.53 0.83 0.00 0.00 45 N 8.16 4.14 0.00 2.87 3.26 0.00 0.00 6.17 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 46 N 7.07 4.31 0.00 2.94 2.18 0.00 0.00 7.21 7.57 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 47 S 8.28 4.51 0.00 3.96 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 48 V 7.98 4.58 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 0.76 0.00 0.00 0.92 0.00 0.00 49 F 8.98 4.54 0.00 3.00 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 50 K 8.66 4.21 0.00 1.70 1.74 0.00 1.36 0.00 0.00 1.49 0.00 0.00 2.89 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.03 1.03 7.81 51 Q 8.85 4.05 0.00 2.15 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.42 0.00 0.00 0.00 0.00 0.00 2.27 2.20 0.00 52 Y 8.33 5.05 0.00 2.74 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 53 F 9.51 5.11 0.00 3.06 3.05 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 54 F 9.32 4.42 0.00 2.80 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 55 E 8.34 4.95 0.00 1.78 1.68 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 2.23 2.15 0.00 56 T 8.30 5.02 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 1.20 0.00 0.00 57 K 8.49 4.70 0.00 1.77 1.83 0.00 1.28 0.00 0.00 1.62 0.00 0.00 2.83 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.24 1.33 7.81 58 C 8.68 4.81 0.00 2.88 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 59 R 9.33 4.10 0.00 1.81 1.98 0.00 3.29 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 60 D 7.99 4.18 0.00 2.70 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 *67 G 7.94 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 68 C 7.98 4.65 0.00 2.97 3.13 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 69 R 8.47 4.07 0.00 1.80 1.82 0.00 3.23 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.54 0.00 70 G 8.69 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 0.00 0.00 0.00 71 I 7.52 4.07 1.89 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.83 0.97 0.00 0.00 72 D 8.44 4.62 0.00 2.80 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 73 S 8.34 4.73 0.00 3.94 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 74 K 8.39 4.24 0.00 1.79 2.16 0.00 1.80 0.00 0.00 1.84 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.64 1.45 7.81 75 H 8.36 4.82 0.00 2.75 2.78 0.00 5.63 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 W 8.06 5.63 0.00 3.27 3.05 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 77 N 9.77 5.10 0.00 2.95 2.86 0.00 0.00 6.47 7.66 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 78 S 8.65 5.62 0.00 3.80 3.93 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 79 Y 7.87 4.92 0.00 2.98 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 80 C 8.81 5.23 0.00 2.91 3.04 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 81 T 8.83 4.83 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 82 T 8.50 4.72 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 1.11 0.00 0.00 83 T 8.35 4.47 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 1.15 0.00 0.00 84 H 8.28 5.42 0.00 2.76 3.18 0.00 5.89 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 T 8.18 4.53 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 1.21 0.00 0.00 86 F 8.60 5.26 0.00 2.90 2.96 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 87 V 8.86 4.78 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 1.12 0.00 0.00 1.08 0.00 0.00 88 K 8.43 3.64 0.00 0.93 0.83 0.00 0.61 0.00 0.00 1.04 0.00 0.00 2.28 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.21 7.81 89 A 7.12 4.19 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 90 L 9.52 5.03 0.00 2.23 1.80 1.20 0.71 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 91 T 9.36 5.18 4.31 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 1.25 0.00 0.00 92 M 9.23 5.07 0.00 2.12 2.00 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.51 0.00 93 D 8.55 4.41 0.00 2.84 2.82 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 0.00 0.00 0.00 94 G 10.02 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 0.00 0.00 0.00 95 K 7.41 4.68 0.00 1.80 1.81 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.77 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.36 7.81 96 Q 8.96 4.51 0.00 2.03 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.00 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 97 A 8.50 4.81 1.27 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 98 A 9.38 4.71 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 99 W 8.93 5.16 0.00 3.26 3.03 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 0.00 100 R 8.71 4.67 0.00 1.64 1.72 0.00 3.36 0.00 0.00 3.18 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.75 0.00 101 F 8.72 4.72 0.00 2.94 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 0.00 102 I 9.20 4.80 1.79 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.78 0.86 0.00 0.00 103 R 8.54 4.50 0.00 1.79 1.76 0.00 2.99 0.00 0.00 2.70 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.91 0.00 104 I 8.14 4.71 1.94 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 1.34 0.58 0.73 0.00 0.00 105 D 8.60 4.69 0.00 2.56 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 0.00 106 T 8.39 4.66 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 1.18 0.00 0.00 107 A 7.35 4.39 1.17 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 0.00 0.00 108 C 8.71 5.09 0.00 2.89 2.90 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 0.00 109 V 8.79 4.52 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 0.56 0.00 0.00 0.89 0.00 0.00 110 C 8.47 4.96 0.00 2.88 2.84 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 0.00 111 V 8.58 4.17 0.67 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 0.75 0.00 0.00 0.33 0.00 0.00 112 L 8.23 5.07 0.00 1.24 1.29 0.61 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 113 S 8.92 4.82 0.00 3.98 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 0.00 114 R 9.04 4.10 0.00 1.60 1.67 0.00 2.87 0.00 0.00 3.02 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.50 0.00 115 K 7.91 4.21 0.00 1.53 1.64 0.00 1.75 0.00 0.00 1.98 0.00 0.00 2.97 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.39 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.