NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 P 4.5293 0.0000 0.0000 62.9272 33.5009 176.1096 9 S 4.1832 7.9781 117.5628 57.5981 68.2969 172.4499 10 D 4.5882 10.0307 129.0488 56.3135 40.4071 178.9204 11 M 4.1733 9.1541 122.2394 55.4952 33.3876 174.1101 12 P 4.7018 0.0000 0.0000 62.7812 32.8465 175.8366 13 V 4.8759 8.3969 119.0214 61.2602 35.0165 171.9332 14 A 4.8410 8.8112 123.2139 51.1300 23.1789 175.6518 15 H 5.0056 8.6953 119.5692 55.5836 31.1550 172.9798 16 V 4.5762 8.1090 116.6181 60.9572 33.8276 175.8925 17 V 5.2855 8.7600 113.9339 59.4872 36.5011 175.0803 18 A 4.5133 8.4217 122.9268 51.7732 19.4204 176.4598 19 N 4.6978 8.2831 116.6039 51.5673 40.3835 172.2479 20 P 3.5470 0.0000 0.0000 65.6625 31.6939 178.2534 21 Q 4.0010 7.8787 115.0190 57.6919 29.0558 176.7751 22 A 4.3537 8.0368 121.6803 52.0324 18.2810 174.9610 23 E 4.3732 7.5458 123.9792 57.8064 29.1619 177.6390 24 G 4.9438 7.5810 122.4093 46.3319 0.0000 169.9741 25 Q 4.5149 7.5324 117.0206 53.2205 32.2131 175.2704 26 L 4.0938 8.0760 120.8082 53.8896 40.9934 174.2661 27 Q 4.5724 7.8971 127.0264 53.8203 31.3747 173.9857 28 W 5.2799 9.4921 127.0015 56.1463 30.3687 175.7554 29 L 4.8705 9.4116 123.5511 52.8090 45.4790 175.6121 30 N 5.2406 8.4404 120.2332 52.0977 36.5220 175.2124 31 R 4.6160 7.8700 132.6597 56.0543 29.8904 178.3061 32 R 4.5710 8.4307 123.3017 57.6165 32.3742 176.5624 33 A 3.9286 8.2344 120.2010 55.0911 18.5627 178.4256 34 N 5.4508 8.1478 112.9887 52.1996 41.6090 173.5672 35 A 4.9931 8.4662 125.0586 50.1315 21.8102 174.9514 36 L 4.7385 8.5151 119.1126 52.4104 46.4302 175.6303 37 L 5.6925 8.0276 125.3030 55.4173 43.2349 172.0131 38 A 4.4376 8.5609 126.6402 51.5871 22.8850 175.3154 39 N 4.4644 9.7609 111.4280 54.8122 35.6939 174.7123 40 G 4.1009 8.3653 106.9928 45.5792 0.0000 174.4845 41 V 4.3729 7.3047 118.6577 62.5088 32.1489 175.2904 42 E 4.7951 8.7272 125.4721 54.4988 34.4232 174.3090 43 L 5.1125 8.5334 123.3932 53.7236 43.3948 175.7692 44 R 4.5896 8.5641 125.7426 55.4705 33.2166 175.7847 45 D 4.3693 9.3128 121.9503 55.8013 38.1709 172.8099 46 N 4.4211 8.5350 111.4806 54.4872 37.7271 173.0448 47 Q 4.9106 7.7469 112.8718 54.1268 34.1503 174.4462 48 L 4.8211 9.1173 122.0790 53.9897 44.0110 175.9813 49 V 5.1497 8.2429 122.0759 60.0516 34.1084 175.3180 50 V 3.6092 8.2103 121.2706 61.1435 32.0145 174.3443 51 P 4.4647 0.0000 0.0000 62.9055 32.0557 177.9074 52 S 4.7117 7.6011 115.0535 56.6853 66.0859 172.6508 53 E 4.4836 8.7969 120.9520 55.1970 30.3704 176.4176 54 G 4.0929 7.9906 111.1237 46.5066 0.0000 170.3848 55 L 5.2235 7.8430 119.4511 54.1769 43.4063 175.9797 56 Y 5.1975 9.7644 120.8355 56.1385 42.6373 173.9534 57 L 5.2005 8.9717 124.3243 53.6790 44.3919 175.0358 58 I 4.9857 9.4067 127.6739 59.7015 40.0513 174.3526 59 Y 5.3018 8.0917 123.8301 55.7699 42.1567 173.7149 60 S 4.9128 8.0905 111.4914 58.0822 66.7141 174.9087 61 Q 4.9684 8.0771 125.5820 54.7241 32.9850 173.9255 62 V 4.5757 8.5369 116.1906 59.5888 36.7679 173.5934 63 L 4.9321 7.7998 125.8346 53.2809 44.7539 175.0927 64 F 5.3016 8.7011 124.2998 56.0122 41.9061 174.6575 65 S 3.9435 8.5760 115.7997 56.4369 65.5676 173.3214 66 G 3.8516 6.6569 111.8132 44.7139 0.0000 171.7993 67 Q 4.7928 8.6934 121.4638 53.2994 27.4511 173.6303 68 G 4.1837 8.7079 110.7461 45.7410 0.0000 171.7061 69 C 4.5787 8.5289 120.5696 55.8418 41.0733 172.0329 70 P 4.3982 0.0000 0.0000 65.0543 30.5755 176.9774 71 S 4.5157 6.8681 110.3667 57.1310 66.8897 173.4181 72 T 4.3579 7.3008 124.8619 61.6429 69.9033 173.1613 73 H 4.6191 7.7734 118.9483 55.6563 27.6496 175.3905 74 V 4.3099 7.1123 117.6473 60.7954 34.5168 174.1695 75 L 4.8010 8.1583 125.6492 52.9683 45.0978 175.5560 76 L 4.4702 9.0242 124.5351 53.2261 43.8211 175.7819 77 T 5.1683 8.8862 112.7870 60.2859 72.7346 172.2481 78 H 5.5678 9.0759 122.6602 55.1054 33.6381 172.1548 79 T 5.0610 8.8282 120.0576 62.2015 73.7035 173.1340 80 I 5.2435 9.1331 125.7372 58.9820 39.6468 174.9249 81 S 5.1224 8.3833 123.1594 57.1493 65.2453 173.1749 82 R 4.5366 8.7477 122.8547 54.6471 32.6526 174.5867 83 I 4.5975 8.5959 127.8842 59.6700 38.8793 175.5841 84 T 5.1409 8.5987 121.2484 60.4155 68.0644 172.5248 85 P 4.4003 0.0000 0.0000 64.7856 32.0604 177.6958 86 A 4.0533 8.1513 121.4221 54.9250 18.6074 177.1747 87 I 4.6006 7.1749 114.8835 60.8686 39.6617 176.0601 88 N 4.9119 8.2973 116.8016 52.8761 39.4455 174.3050 89 R 4.5858 7.8843 116.1467 53.7279 32.7044 176.1516 90 P 4.6010 0.0000 0.0000 61.3803 29.2345 175.3735 91 V 3.5853 8.0852 121.8332 62.8812 33.0860 174.9986 92 N 4.6179 8.8158 125.0816 54.1272 37.3975 175.0491 93 L 4.1840 8.9510 124.4234 56.9567 42.3257 177.5517 94 L 4.9089 7.6172 117.4930 52.9744 45.4036 175.2732 95 S 5.1331 8.6983 116.8099 57.0436 65.8794 172.5634 96 A 4.8526 8.7719 125.7090 50.9304 22.8326 175.1246 97 I 5.1724 8.2212 118.8955 59.9545 41.5881 175.1260 98 R 4.7063 8.9140 122.1802 55.0084 34.9603 174.4875 99 S 4.6954 8.4093 117.1632 55.4936 62.6497 171.6991 100 P 4.5090 0.0000 0.0000 65.6315 31.6833 178.9642 101 C 4.3709 7.1989 113.8187 58.6370 40.5234 171.2480 102 Q 4.1768 8.3704 123.4366 57.4769 33.9204 173.8952 *111 A 4.2414 7.8229 117.8032 52.5988 19.6535 176.7385 112 N 5.0481 8.1168 115.6727 51.4347 40.3319 172.6986 113 P 4.8993 0.0000 0.0000 62.2723 33.0568 175.3010 114 W 5.5071 8.2968 116.7647 55.4386 31.7878 173.5853 115 Y 5.1569 9.0078 118.5991 56.5484 41.2803 174.9871 116 E 4.8724 9.5169 122.7621 54.2317 32.7877 173.3810 117 P 5.0533 0.0000 0.0000 62.3713 33.5700 175.6875 118 I 4.7817 8.5720 120.5387 60.2213 41.6764 173.5228 119 Y 5.2085 8.8705 127.4139 55.7297 41.8598 174.4216 120 L 4.8997 8.3122 125.4112 52.9702 45.5282 175.7931 121 G 4.6921 8.5417 109.4067 44.7719 0.0000 171.9018 122 G 4.3940 8.5864 108.6583 45.8596 0.0000 171.9866 123 V 5.1385 8.3702 120.8870 61.1510 33.2128 174.9664 124 F 4.9425 9.7480 125.6052 55.7260 43.8401 173.5958 125 Q 4.7981 8.9181 123.0662 55.6639 29.5696 174.7624 126 L 4.8622 9.7159 127.5974 53.0215 45.1876 175.3801 127 E 5.0316 9.4372 122.2498 53.6339 31.9261 174.0440 128 P 4.5056 0.0000 0.0000 64.0098 31.4000 176.5684 129 G 3.9892 8.4091 110.6664 44.9020 0.0000 173.4802 130 D 4.6949 7.8693 119.7530 54.4276 42.4384 175.5970 131 R 5.0190 8.7246 119.5681 54.6114 33.3013 174.6888 132 L 5.3034 9.0788 124.6839 53.2279 44.8532 175.7771 133 S 4.9380 8.5405 115.0324 57.0449 67.1827 172.7396 134 A 4.6689 8.1338 121.5306 50.3319 20.9600 175.1743 135 E 4.9775 9.0770 121.4574 54.8271 33.7508 175.3410 136 I 5.8274 8.3108 113.5427 58.2288 40.1204 175.1960 137 N 4.4404 8.5607 123.1774 55.1438 38.1799 175.6316 138 R 4.6288 7.8065 119.0462 53.4068 30.0276 174.0820 139 P 4.4150 0.0000 0.0000 63.3355 31.1642 177.4939 140 D 4.8056 8.1545 116.5355 53.7729 39.9660 175.9815 141 Y 4.4129 7.7753 116.7618 57.7821 41.0210 174.3315 142 L 3.8917 8.1422 120.6794 55.3349 42.1524 176.0505 143 D 4.2147 8.5346 126.7938 52.7598 42.9957 175.5359 144 F 4.8601 7.9443 114.6992 57.0549 38.7356 175.2999 145 A 4.5772 8.2685 122.5254 52.6297 17.7039 177.9038 146 E 4.8932 8.2905 118.2242 57.2198 33.3398 175.8472 147 S 4.3099 8.7136 120.4891 59.9111 63.4035 174.9220 148 G 4.0879 9.0769 111.9990 46.1297 0.0000 173.9910 149 Q 4.4051 7.8007 117.6063 56.5213 29.4672 175.6258 150 V 4.7744 7.7356 117.2603 62.2350 35.0695 171.5868 151 Y 5.2172 8.6014 125.2884 56.7767 42.4257 173.2165 152 F 5.0466 8.8288 120.9643 57.1987 43.0429 173.1950 153 G 3.8618 8.3045 112.3022 45.2404 0.0000 171.0061 154 I 5.5221 8.1784 111.9929 60.3719 41.3867 173.5883 155 I 4.9706 8.2325 121.3929 59.6836 41.6794 173.0413 156 A 3.9065 8.1492 130.2800 50.7203 19.5042 177.4096 157 L 4.2095 8.1396 122.2515 54.8752 41.5108 176.8398 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 8 P 0.00 4.53 0.00 2.06 2.05 0.00 3.67 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.11 0.00 9 S 7.98 4.18 0.00 3.88 3.59 0.00 0.00 0.00 0.00 0.00 0.00 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 D 10.03 4.59 0.00 2.62 2.18 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 11 M 9.15 4.17 0.00 1.99 1.96 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 2.55 2.48 0.00 12 P 0.00 4.70 0.00 2.16 2.12 0.00 3.79 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.07 0.00 13 V 8.40 4.88 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 0.57 0.00 0.00 1.01 0.00 0.00 14 A 8.81 4.84 1.03 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 15 H 8.70 5.01 0.00 3.31 3.27 0.00 5.78 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 16 V 8.11 4.58 2.39 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 0.65 0.00 0.00 0.84 0.00 0.00 17 V 8.76 5.29 2.30 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 0.88 0.00 0.00 1.06 0.00 0.00 18 A 8.42 4.51 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 19 N 8.28 4.70 0.00 2.76 2.62 0.00 0.00 6.94 7.69 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 20 P 0.00 3.55 0.00 1.89 1.80 0.00 3.63 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.96 0.00 21 Q 7.88 4.00 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.24 0.00 0.00 0.00 0.00 0.00 2.37 2.24 0.00 22 A 8.04 4.35 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 23 E 7.55 4.37 0.00 1.91 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 2.46 2.49 0.00 24 G 7.58 4.94 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 25 Q 7.53 4.51 0.00 1.98 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.89 0.00 0.00 0.00 0.00 0.00 2.25 2.37 0.00 26 L 8.08 4.09 0.00 1.39 1.26 0.67 -0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 27 Q 7.90 4.57 0.00 2.06 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 28 W 9.49 5.28 0.00 3.30 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 29 L 9.41 4.87 0.00 1.62 1.57 0.96 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.44 5.24 0.00 2.73 2.76 0.00 0.00 7.04 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 31 R 7.87 4.62 0.00 1.89 1.68 0.00 3.43 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 32 R 8.43 4.57 0.00 1.80 1.81 0.00 3.19 0.00 0.00 3.35 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 33 A 8.23 3.93 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 34 N 8.15 5.45 0.00 2.65 2.71 0.00 0.00 7.07 7.35 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 35 A 8.47 4.99 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 36 L 8.52 4.74 0.00 1.63 1.56 0.93 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.03 5.69 0.00 1.63 1.83 0.87 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.56 4.44 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 39 N 9.76 4.46 0.00 2.98 2.88 0.00 0.00 7.03 7.84 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 40 G 8.37 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 0.00 0.00 0.00 41 V 7.30 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 1.17 0.00 0.00 1.00 0.00 0.00 42 E 8.73 4.80 0.00 1.90 1.77 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 2.28 2.27 0.00 43 L 8.53 5.11 0.00 1.63 1.61 1.14 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 44 R 8.56 4.59 0.00 1.87 1.78 0.00 3.33 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 45 D 9.31 4.37 0.00 2.85 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 46 N 8.53 4.42 0.00 2.87 2.95 0.00 0.00 7.00 7.08 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 47 Q 7.75 4.91 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.45 6.67 0.00 0.00 0.00 0.00 0.00 2.35 2.59 0.00 48 L 9.12 4.82 0.00 1.43 1.40 -0.23 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 49 V 8.24 5.15 2.06 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 1.38 0.00 0.00 0.92 0.00 0.00 50 V 8.21 3.61 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 0.22 0.00 0.00 0.86 0.00 0.00 51 P 0.00 4.46 0.00 2.24 1.98 0.00 3.77 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.21 0.00 52 S 7.60 4.71 0.00 3.91 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 53 E 8.80 4.48 0.00 2.04 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 2.34 2.56 0.00 54 G 7.99 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 0.00 0.00 0.00 55 L 7.84 5.22 0.00 1.62 1.63 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 56 Y 9.76 5.20 0.00 2.86 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 57 L 8.97 5.20 0.00 1.85 1.65 1.13 1.42 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 58 I 9.41 4.99 1.91 0.00 0.00 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 1.25 0.71 0.88 0.00 0.00 59 Y 8.09 5.30 0.00 2.98 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 60 S 8.09 4.91 0.00 4.10 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 61 Q 8.08 4.97 0.00 1.98 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.51 0.00 0.00 0.00 0.00 0.00 2.16 2.52 0.00 62 V 8.54 4.58 1.54 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 0.36 0.00 0.00 0.49 0.00 0.00 63 L 7.80 4.93 0.00 2.08 1.43 1.05 1.15 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 64 F 8.70 5.30 0.00 3.37 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 65 S 8.58 3.94 0.00 3.12 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 66 G 6.66 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 0.00 0.00 0.00 67 Q 8.69 4.79 0.00 1.93 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 5.50 0.00 0.00 0.00 0.00 0.00 2.18 2.22 0.00 68 G 8.71 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 0.00 0.00 0.00 69 C 8.53 4.58 0.00 2.92 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 70 P 0.00 4.40 0.00 2.07 2.15 0.00 3.64 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.20 0.00 71 S 6.87 4.52 0.00 4.01 3.78 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 72 T 7.30 4.36 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 1.03 0.00 0.00 73 H 7.77 4.62 0.00 3.15 3.24 0.00 5.84 0.00 0.00 0.00 0.00 8.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 V 7.11 4.31 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 0.42 0.00 0.00 0.85 0.00 0.00 75 L 8.16 4.80 0.00 1.40 1.40 0.86 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 76 L 9.02 4.47 0.00 1.30 0.80 -0.75 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 77 T 8.89 5.17 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 1.17 0.00 0.00 78 H 9.08 5.57 0.00 3.33 3.18 0.00 5.58 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 T 8.83 5.06 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 1.27 0.00 0.00 80 I 9.13 5.24 1.73 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 0.97 0.54 0.84 0.00 0.00 81 S 8.38 5.12 0.00 3.72 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 82 R 8.75 4.54 0.00 1.68 1.66 0.00 2.98 0.00 0.00 3.14 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.47 0.00 83 I 8.60 4.60 1.98 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.91 0.90 0.00 0.00 84 T 8.60 5.14 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 1.20 0.00 0.00 85 P 0.00 4.40 0.00 2.21 2.15 0.00 3.84 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 86 A 8.15 4.05 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 87 I 7.17 4.60 1.87 0.00 0.00 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 1.41 0.92 0.91 0.00 0.00 88 N 8.30 4.91 0.00 2.64 2.75 0.00 0.00 6.63 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 89 R 7.88 4.59 0.00 1.64 1.81 0.00 3.25 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.68 0.00 90 P 0.00 4.60 0.00 1.92 1.99 0.00 3.67 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 91 V 8.09 3.59 2.06 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 1.03 0.00 0.00 0.92 0.00 0.00 92 N 8.82 4.62 0.00 2.63 2.80 0.00 0.00 7.13 7.85 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 93 L 8.95 4.18 0.00 1.55 1.16 0.10 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 94 L 7.62 4.91 0.00 1.48 1.53 0.93 0.96 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 95 S 8.70 5.13 0.00 3.81 3.67 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 96 A 8.77 4.85 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 97 I 8.22 5.17 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.72 0.92 0.00 0.00 98 R 8.91 4.71 0.00 1.67 1.74 0.00 3.26 0.00 0.00 3.26 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.83 0.00 99 S 8.41 4.70 0.00 3.67 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 0.00 100 P 0.00 4.51 0.00 0.59 0.89 0.00 3.27 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.85 0.00 101 C 7.20 4.37 0.00 2.72 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 0.00 102 Q 8.37 4.18 0.00 1.90 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.62 0.00 0.00 0.00 0.00 0.00 2.08 2.12 0.00 *111 A 7.82 4.24 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 0.00 112 N 8.12 5.05 0.00 2.74 2.79 0.00 0.00 6.96 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 0.00 113 P 0.00 4.90 0.00 2.05 1.94 0.00 3.72 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 2.08 2.10 0.00 114 W 8.30 5.51 0.00 3.46 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 0.00 115 Y 9.01 5.16 0.00 2.80 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 0.00 116 E 9.52 4.87 0.00 2.36 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 2.75 2.50 0.00 117 P 0.00 5.05 0.00 2.16 2.13 0.00 3.90 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.08 0.00 118 I 8.57 4.78 1.99 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.94 1.07 0.00 0.00 119 Y 8.87 5.21 0.00 3.00 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 0.00 120 L 8.31 4.90 0.00 1.47 1.42 0.97 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 121 G 8.54 4.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 G 8.59 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 0.00 123 V 8.37 5.14 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 0.94 0.00 0.00 0.98 0.00 0.00 124 F 9.75 4.94 0.00 2.95 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 0.00 125 Q 8.92 4.80 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.74 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 126 L 9.72 4.86 0.00 1.22 1.26 0.34 -0.11 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 0.00 127 E 9.44 5.03 0.00 1.94 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 2.26 2.39 0.00 128 P 0.00 4.51 0.00 2.13 2.16 0.00 3.34 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 129 G 8.41 3.99 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 0.00 0.00 0.00 130 D 7.87 4.69 0.00 2.57 2.50 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 0.00 131 R 8.72 5.02 0.00 1.84 1.79 0.00 3.08 0.00 0.00 3.31 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 132 L 9.08 5.30 0.00 1.52 1.60 0.73 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 133 S 8.54 4.94 0.00 3.81 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 0.00 134 A 8.13 4.67 0.36 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 0.00 135 E 9.08 4.98 0.00 1.90 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 2.21 2.20 0.00 136 I 8.31 5.83 2.16 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 1.04 1.00 0.98 0.00 0.00 137 N 8.56 4.44 0.00 2.94 2.99 0.00 0.00 6.75 7.54 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 0.00 138 R 7.81 4.63 0.00 1.79 2.13 0.00 3.34 0.00 0.00 3.40 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.39 0.00 139 P 0.00 4.42 0.00 2.34 2.16 0.00 3.84 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 140 D 8.15 4.81 0.00 2.64 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 0.00 141 Y 7.78 4.41 0.00 3.10 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 0.00 142 L 8.14 3.89 0.00 1.62 1.42 0.90 0.91 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 0.00 143 D 8.53 4.21 0.00 2.46 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 0.00 144 F 7.94 4.86 0.00 3.09 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 0.00 145 A 8.27 4.58 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 0.00 146 E 8.29 4.89 0.00 1.95 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 2.10 2.29 0.00 147 S 8.71 4.31 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 0.00 148 G 9.08 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 0.00 0.00 0.00 149 Q 7.80 4.41 0.00 2.39 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.66 0.00 0.00 0.00 0.00 0.00 2.43 2.57 0.00 150 V 7.74 4.77 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 1.05 0.00 0.00 0.91 0.00 0.00 151 Y 8.60 5.22 0.00 3.21 3.18 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 0.00 152 F 8.83 5.05 0.00 1.75 1.45 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 0.00 153 G 8.30 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 0.00 0.00 0.00 154 I 8.18 5.52 1.95 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.51 0.55 0.00 0.00 155 I 8.23 4.97 1.96 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.33 1.01 0.00 0.00 156 A 8.15 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 L 8.14 4.21 0.00 1.49 1.54 0.94 0.73 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 * Residues marked with a * may have inaccurate shift predictions.