NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 G 4.0539 8.2548 109.1229 45.4411 0.0000 175.0829 17 I 3.7856 7.3887 119.5324 63.0723 37.6495 175.2771 18 T 3.9524 7.9110 116.2346 63.1595 70.0221 174.2439 19 G 3.4843 7.6213 113.8069 45.2035 0.0000 170.8123 20 T 4.5729 7.5414 118.0495 61.4595 70.4509 174.3004 21 W 4.6878 8.2533 125.5974 54.7694 33.3613 173.8974 22 Y 5.3799 9.0501 120.4854 56.6002 40.8599 175.5795 23 N 5.1907 9.0520 122.2610 52.0289 39.8657 175.1885 24 Q 4.5348 8.6133 118.0903 56.6535 28.9283 175.4911 25 L 4.5669 8.5738 116.8844 54.8300 41.9406 177.5446 26 G 4.0707 8.3855 107.7347 45.0521 0.0000 174.4185 27 S 4.6739 8.0463 116.0221 58.9498 64.5681 173.3357 28 T 5.1890 8.5201 118.8861 61.8035 72.5526 173.0013 29 F 5.2324 8.7688 120.7064 54.9712 41.9289 173.5879 30 I 4.8732 8.5300 121.8655 59.5970 39.3259 175.0899 31 V 4.9275 8.7570 126.2749 60.1227 35.2941 174.5566 32 T 4.6882 8.8745 119.3687 61.9427 70.8211 173.4024 33 A 4.7290 8.4577 130.1520 50.1328 18.9655 177.0061 34 G 3.7512 9.3709 111.0623 45.9323 0.0000 173.4456 35 A 4.1008 8.5262 124.4207 54.4307 18.5949 178.5616 36 D 4.3845 7.9936 113.7653 54.4212 40.1696 177.2295 37 G 3.4078 8.5925 109.5414 44.8153 0.0000 172.8385 38 A 4.7928 8.1461 121.6113 51.2984 20.3573 177.0533 39 L 5.2620 8.9258 121.1546 53.1661 44.4247 175.8958 40 T 4.7517 8.7285 113.9075 60.1965 72.5869 173.9640 41 G 3.8435 7.6522 107.9287 46.9678 0.0000 171.4041 42 T 5.2732 8.0964 116.6956 61.9536 72.6907 172.4806 43 Y 4.9318 9.2983 127.8351 56.0340 41.4311 174.1158 44 E 5.1996 8.8570 127.3999 54.6664 30.3347 176.3521 45 S 4.3896 9.4591 121.3931 61.4247 63.4437 175.0863 *49 N 4.3596 8.0240 116.2415 53.1881 39.1797 173.5493 50 A 4.4097 8.1768 126.4028 53.4283 19.7725 178.8852 51 E 4.1785 7.9331 114.0930 58.4586 29.9574 177.6562 52 S 4.8831 8.0375 113.6081 58.2073 63.4219 172.8281 53 R 5.1591 7.3572 119.4895 55.1196 31.3137 175.5787 54 Y 4.8559 9.6783 121.2534 55.8748 42.5784 174.8904 55 V 4.3054 8.5917 122.9247 62.8874 32.3154 175.0972 56 L 5.0634 8.8110 128.2546 54.6503 43.7271 175.2061 57 T 4.8223 8.3767 113.5211 61.6416 71.3911 173.0624 58 G 4.4949 8.6310 113.7137 46.2970 0.0000 171.9518 59 R 5.5328 8.7236 117.7204 54.8178 34.6815 174.1874 60 Y 5.3025 8.4710 118.7057 55.2812 41.5923 174.5740 61 D 4.3578 9.5483 120.9712 53.9305 40.7369 176.8318 62 S 4.2081 8.1904 120.7298 58.8827 64.0455 174.4783 63 A 4.6488 8.1116 123.6058 50.1390 18.5788 173.4463 64 P 4.7744 0.0000 0.0000 60.6288 32.9104 177.1385 65 A 4.2649 8.3108 121.5232 52.7138 18.9751 177.6037 66 T 4.7524 8.2664 115.7537 63.8001 69.2517 174.5750 67 D 4.8338 8.4612 116.5537 53.0874 40.0195 176.8817 68 G 3.9673 8.3883 107.1905 45.6870 0.0000 174.4132 69 S 4.3056 7.8262 115.2009 58.3744 63.3803 173.8282 70 G 4.0625 8.2749 109.8267 45.7364 0.0000 173.0051 71 T 4.7523 8.8145 116.6520 61.7003 69.8132 174.9684 72 A 4.7741 8.6539 129.5437 52.2316 20.0467 175.9006 73 L 4.9227 8.5076 120.1492 55.5184 44.7371 173.9214 74 G 4.5408 9.0281 103.9028 45.6342 0.0000 172.4908 75 W 5.8503 8.5731 118.0271 55.4730 32.6560 173.4956 76 T 5.2095 9.1322 115.8341 61.8347 72.5374 173.4117 77 V 4.5995 8.7877 124.4910 60.9328 34.3192 173.9604 78 A 4.3874 8.3045 129.8495 49.8299 19.9266 177.9796 79 W 4.2265 8.2680 126.1004 55.7444 28.2566 176.2954 80 K 5.2520 7.8031 118.2976 54.6500 35.1873 174.5397 81 N 5.0189 8.5369 122.8508 51.7090 39.7166 173.6432 82 N 4.2826 8.2347 113.9210 55.0884 38.8452 175.0637 83 Y 4.7255 7.5178 115.0991 58.8757 40.3647 175.5282 84 R 4.7213 8.5473 114.2016 55.1222 32.6957 173.3728 85 N 5.2564 8.4475 116.0809 52.4703 41.3905 173.7231 86 A 4.3218 9.4557 128.1711 51.7946 20.1462 176.0951 87 H 4.1588 8.6995 114.0755 55.6856 27.0012 173.2804 88 S 5.1331 7.2851 111.3037 57.9338 66.6693 175.0957 89 A 5.1277 9.3989 121.4955 50.7544 22.9607 175.1005 90 T 4.9094 8.6182 116.9947 61.6844 71.6758 173.3139 91 T 4.8821 8.3871 116.1793 59.6013 71.6775 172.8312 92 W 4.9423 8.7198 125.6470 54.7671 31.6838 174.8318 93 S 4.8667 8.7279 119.2647 56.8524 64.9633 173.0675 94 G 4.5244 8.4452 112.9807 46.5810 0.0000 171.7001 95 Q 5.2114 8.5346 117.6283 54.9281 32.2733 173.4244 96 Y 4.9189 9.1181 123.4015 57.0089 40.6289 174.0660 97 V 4.2274 8.7238 127.1564 61.1437 33.6124 174.8994 98 G 3.8875 8.0658 121.8395 46.2340 0.0000 171.6513 99 G 3.7958 8.7023 107.0879 46.5796 0.0000 173.3194 100 A 2.9463 7.4974 117.0851 51.4730 20.1863 178.3194 101 E 4.4836 9.0984 119.8780 52.7446 31.8377 174.4617 102 A 4.4925 8.5587 128.1135 53.1135 19.3723 176.4387 103 R 5.2746 8.9595 116.9686 54.9762 35.6444 174.4086 104 I 4.9474 8.9509 122.5433 59.8483 40.1701 174.2145 105 N 5.4326 9.0558 125.7896 52.1434 40.3833 174.6391 106 T 5.3164 9.1952 112.9173 60.2837 73.1700 172.5546 107 Q 5.1777 9.0847 121.1522 53.8758 32.1271 174.8339 108 W 5.3326 8.7708 119.2020 54.5910 32.4117 173.8418 109 L 5.2367 8.7466 120.1014 52.8918 44.6111 175.2484 110 L 5.0626 9.3451 126.4688 53.6005 44.5037 174.9393 111 T 5.0296 9.1460 123.3102 61.9067 71.3885 173.3201 112 S 5.1592 8.4098 121.8842 56.4360 65.5145 174.2718 113 G 3.9239 8.8278 111.8929 46.3929 0.0000 173.2132 114 T 4.7848 8.2800 113.9697 59.8055 72.3009 173.3915 115 T 4.2859 8.1009 112.3370 60.5443 70.2480 175.2658 116 E 3.8587 8.9536 120.9811 59.8091 29.4799 179.8336 117 A 4.1828 7.5477 119.5882 54.1446 18.8987 177.7677 118 N 4.9194 8.2317 112.3498 52.9936 38.7722 176.6632 119 A 4.1391 8.1265 124.6455 54.1355 18.5954 180.7909 120 W 4.3085 8.2805 112.4409 58.4283 28.5039 176.9609 121 K 3.9872 6.5415 117.5900 56.1145 32.2944 177.3829 122 S 4.1957 7.5140 116.1020 60.6447 63.5583 173.4212 123 T 5.1372 7.6362 117.3370 61.6650 70.8328 173.4381 124 L 4.7854 8.8920 126.9112 53.2856 43.9819 176.0246 125 V 4.4243 7.7823 121.1198 60.2474 34.5316 174.9228 126 G 3.0079 6.8277 108.1086 45.8821 0.0000 171.2675 127 H 5.4105 8.0660 113.7153 54.5261 31.9038 172.2952 128 D 4.8551 9.1502 117.5788 53.5824 45.1306 173.8749 129 T 5.1867 8.4573 120.9906 61.8928 71.2392 173.3513 130 F 5.4944 9.7776 125.1886 56.1570 42.4896 174.6400 131 T 5.4320 9.0955 110.7439 60.3209 72.4402 174.6114 132 K 3.8302 9.1067 120.2841 56.8563 32.5796 177.6769 133 V 3.8903 7.5684 123.6147 62.8427 31.7317 174.7829 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 16 G 8.25 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 I 7.39 3.79 1.40 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.11 0.53 0.00 0.00 18 T 7.91 3.95 4.17 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 1.21 0.00 0.00 19 G 7.62 3.48 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 0.00 20 T 7.54 4.57 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 0.60 0.00 0.00 21 W 8.25 4.69 0.00 1.78 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 22 Y 9.05 5.38 0.00 2.95 2.86 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 23 N 9.05 5.19 0.00 2.71 2.41 0.00 0.00 6.91 6.67 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 24 Q 8.61 4.53 0.00 2.21 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 7.23 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 25 L 8.57 4.57 0.00 1.74 1.75 1.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.39 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 27 S 8.05 4.67 0.00 4.24 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 28 T 8.52 5.19 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 0.96 0.00 0.00 29 F 8.77 5.23 0.00 2.85 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 I 8.53 4.87 1.80 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 1.20 0.71 0.80 0.00 0.00 31 V 8.76 4.93 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 0.83 0.00 0.00 0.80 0.00 0.00 32 T 8.87 4.69 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 1.19 0.00 0.00 33 A 8.46 4.73 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 0.00 0.00 0.00 0.00 0.00 0.00 34 G 9.37 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 35 A 8.53 4.10 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 36 D 7.99 4.38 0.00 2.78 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 37 G 8.59 3.41 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 38 A 8.15 4.79 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 39 L 8.93 5.26 0.00 1.77 1.56 0.72 0.79 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 40 T 8.73 4.75 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 41 G 7.65 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 42 T 8.10 5.27 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 1.30 0.00 0.00 43 Y 9.30 4.93 0.00 2.86 2.83 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 0.00 0.00 0.00 44 E 8.86 5.20 0.00 2.10 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 0.00 2.31 2.25 0.00 45 S 9.46 4.39 0.00 4.02 4.36 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 *49 N 8.02 4.36 0.00 2.74 2.83 0.00 0.00 6.87 7.96 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 50 A 8.18 4.41 1.24 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 51 E 7.93 4.18 0.00 2.03 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 1.85 1.84 0.00 52 S 8.04 4.88 0.00 3.95 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 53 R 7.36 5.16 0.00 1.70 1.88 0.00 3.12 0.00 0.00 3.43 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.83 0.00 54 Y 9.68 4.86 0.00 2.79 2.64 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 55 V 8.59 4.31 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 0.78 0.00 0.00 0.93 0.00 0.00 56 L 8.81 5.06 0.00 1.84 1.64 0.60 -0.44 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 57 T 8.38 4.82 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 1.23 0.00 0.00 58 G 8.63 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 R 8.72 5.53 0.00 1.75 1.79 0.00 3.27 0.00 0.00 3.24 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.72 0.00 60 Y 8.47 5.30 0.00 3.08 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 D 9.55 4.36 0.00 2.75 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 62 S 8.19 4.21 0.00 3.83 3.31 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 63 A 8.11 4.65 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 64 P 0.00 4.77 0.00 2.28 2.18 0.00 3.44 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.04 0.00 65 A 8.31 4.26 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 T 8.27 4.75 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 1.25 0.00 0.00 67 D 8.46 4.83 0.00 2.73 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 68 G 8.39 3.97 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 0.00 69 S 7.83 4.31 0.00 4.02 3.85 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.27 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 T 8.81 4.75 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 72 A 8.65 4.77 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 73 L 8.51 4.92 0.00 2.06 1.95 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 74 G 9.03 4.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 W 8.57 5.85 0.00 3.38 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 76 T 9.13 5.21 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 1.21 0.00 0.00 77 V 8.79 4.60 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 -0.61 0.00 0.00 0.65 0.00 0.00 78 A 8.30 4.39 1.16 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 0.00 0.00 79 W 8.27 4.23 0.00 3.32 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 80 K 7.80 5.25 0.00 1.86 1.70 0.00 1.74 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.43 7.81 81 N 8.54 5.02 0.00 2.62 2.56 0.00 0.00 7.05 8.07 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 82 N 8.23 4.28 0.00 1.44 2.27 0.00 0.00 6.60 7.46 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 83 Y 7.52 4.73 0.00 3.15 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 R 8.55 4.72 0.00 2.02 2.09 0.00 2.85 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.76 0.00 85 N 8.45 5.26 0.00 2.65 2.60 0.00 0.00 6.89 7.96 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 86 A 9.46 4.32 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 87 H 8.70 4.16 0.00 3.30 3.30 0.00 5.66 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 88 S 7.29 5.13 0.00 3.98 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 89 A 9.40 5.13 1.16 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 0.00 0.00 90 T 8.62 4.91 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 -0.85 0.00 0.00 91 T 8.39 4.88 4.17 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 1.15 0.00 0.00 92 W 8.72 4.94 0.00 1.78 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 93 S 8.73 4.87 0.00 3.82 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 94 G 8.45 4.52 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 0.00 95 Q 8.53 5.21 0.00 2.18 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.88 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 96 Y 9.12 4.92 0.00 3.02 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 V 8.72 4.23 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 0.85 0.00 0.00 0.92 0.00 0.00 98 G 8.07 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 99 G 8.70 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 100 A 7.50 2.95 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 0.00 101 E 9.10 4.48 0.00 1.92 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 2.18 2.21 0.00 102 A 8.56 4.49 1.51 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 0.00 103 R 8.96 5.27 0.00 1.81 1.89 0.00 3.12 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.75 0.00 104 I 8.95 4.95 1.91 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 -0.10 1.15 0.00 0.00 105 N 9.06 5.43 0.00 2.74 2.81 0.00 0.00 6.06 6.74 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 0.00 106 T 9.20 5.32 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 107 Q 9.08 5.18 0.00 1.93 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.69 0.00 0.00 0.00 0.00 0.00 2.26 2.24 0.00 108 W 8.77 5.33 0.00 2.68 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 L 8.75 5.24 0.00 1.51 1.54 0.87 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 110 L 9.35 5.06 0.00 1.63 1.68 0.94 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 111 T 9.15 5.03 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 1.19 0.00 0.00 112 S 8.41 5.16 0.00 3.71 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 0.00 113 G 8.83 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 0.00 114 T 8.28 4.78 4.17 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 1.20 0.00 0.00 115 T 8.10 4.29 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 1.21 0.00 0.00 116 E 8.95 3.86 0.00 2.07 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 0.00 2.42 2.36 0.00 117 A 7.55 4.18 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 0.00 118 N 8.23 4.92 0.00 2.66 2.63 0.00 0.00 6.71 7.73 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 0.00 119 A 8.13 4.14 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 0.00 120 W 8.28 4.31 0.00 3.58 3.24 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 0.00 121 K 6.54 3.99 0.00 1.04 0.74 0.00 1.14 0.00 0.00 0.77 0.00 0.00 2.78 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.65 0.82 7.81 122 S 7.51 4.20 0.00 4.13 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 T 7.64 5.14 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 1.25 0.00 0.00 124 L 8.89 4.79 0.00 1.80 1.72 0.96 0.86 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 0.00 125 V 7.78 4.42 1.90 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 0.54 0.00 0.00 0.72 0.00 0.00 126 G 6.83 3.01 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 0.00 127 H 8.07 5.41 0.00 3.24 3.11 0.00 5.75 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 0.00 128 D 9.15 4.86 0.00 3.28 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 0.00 129 T 8.46 5.19 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 1.37 0.00 0.00 130 F 9.78 5.49 0.00 3.19 3.31 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 0.00 131 T 9.10 5.43 4.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 132 K 9.11 3.83 0.00 1.68 1.55 0.00 1.24 0.00 0.00 1.15 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.44 7.81 133 V 7.57 3.89 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 0.70 0.00 0.00 0.90 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.