NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 H 4.6547 8.4449 116.3342 55.6072 30.3052 173.0919 *2 Q 4.2334 8.0706 119.4463 55.8397 28.9814 173.3316 3 V 4.8669 7.8041 119.6081 60.8832 35.1787 174.6028 4 S 4.7175 9.0358 122.5631 56.7548 66.3488 172.9974 5 V 4.8456 8.4942 124.2117 61.3340 33.4920 174.5311 6 E 4.7912 9.1947 125.5844 54.9903 34.2549 174.3167 7 T 4.3892 8.4126 119.0223 62.6151 69.6029 173.9713 8 T 4.1145 8.6143 118.7007 62.0159 70.1385 173.8251 9 Q 4.5480 7.6687 119.4269 54.9107 33.4846 174.1436 10 G 3.8471 8.2699 113.4858 47.3652 0.0000 174.1992 11 L 4.3342 8.4808 125.0879 54.6820 41.7484 176.1566 12 G 4.1809 7.9315 107.8279 45.5298 0.0000 173.4623 13 R 5.0392 8.4567 120.7765 54.5202 35.5857 174.0300 14 R 4.8454 8.6387 119.9027 54.9633 33.9624 173.5856 15 V 4.8602 9.0303 126.4750 61.5000 34.1782 174.0457 16 T 4.8871 9.0151 125.0880 61.8344 71.0034 173.5184 17 I 4.9479 8.1898 126.5729 59.6620 41.4632 174.3920 18 T 5.0361 8.3574 121.8908 61.9396 70.7123 173.6029 19 I 4.5888 9.3570 128.4107 59.4521 39.4738 175.5827 20 A 4.5477 8.7284 129.6308 51.7779 19.3482 177.9646 21 A 4.1478 9.9102 124.9153 55.5407 18.3993 180.2555 22 D 4.4236 8.1082 116.7929 56.4089 39.7897 178.8949 23 S 4.2046 8.0047 116.8245 61.3857 62.7355 176.5999 24 I 3.7345 7.7237 122.1150 64.4309 37.0348 177.9399 25 E 3.9686 8.3384 120.1486 59.5941 29.3314 178.9982 26 T 3.9052 8.0836 115.7077 66.3959 68.4664 176.6488 27 A 3.9680 7.9475 122.4332 55.1845 18.4785 179.8711 28 V 3.5239 8.1347 117.2198 65.7463 31.6508 178.1151 29 K 3.9178 8.1645 119.7000 59.6798 32.2507 179.0531 30 S 4.1727 7.8847 114.2154 61.2670 62.8599 175.9749 31 E 3.9173 8.1789 123.1261 58.9712 29.3627 178.5410 32 L 3.9423 8.0726 120.4950 58.1435 41.9039 179.3827 33 V 3.6748 7.4579 111.4107 64.1726 31.7122 178.0169 34 N 4.4691 7.9517 116.1401 56.2355 38.4108 177.6785 35 V 3.5006 8.0647 119.6295 65.7192 31.6140 177.9440 36 A 4.0433 8.0713 120.6172 54.7949 17.9330 179.5959 37 K 4.0509 7.6432 115.7405 58.7156 32.1654 178.7427 38 K 4.2235 7.6501 117.2120 56.1584 33.0854 177.0026 39 V 4.2001 7.1551 113.1185 59.8502 32.9738 174.7960 40 R 4.8708 8.3750 123.0585 54.4747 32.8821 174.7744 41 I 4.4911 8.0228 123.9342 61.2582 40.3214 177.1826 42 D 4.1539 8.2172 125.1848 56.9607 42.7889 177.7708 43 G 3.8717 7.9809 105.0647 47.4363 0.0000 171.8230 44 F 4.4627 8.2197 120.9985 57.0608 43.0891 173.0001 45 R 4.2740 8.3303 118.9855 54.7053 30.3151 175.5755 46 K 4.1108 8.4675 120.5783 58.2778 32.4759 176.3910 47 G 4.2910 8.9487 114.9990 45.2989 0.0000 173.9202 48 K 4.4578 7.5019 117.4680 56.0694 32.3121 176.5342 49 V 3.7933 7.5972 119.1672 61.7877 32.8658 176.2727 50 P 4.5237 0.0000 0.0000 62.1608 31.0143 177.0293 *52 N 4.7140 8.7231 115.2552 54.4833 40.9183 176.8093 53 I 3.7414 7.8196 119.1205 64.2615 37.0972 178.5818 54 V 3.7887 7.7715 118.4642 65.9452 31.4838 177.8130 55 A 3.9708 7.9475 120.1578 55.0868 18.0913 179.2143 56 Q 3.8541 7.7977 117.0725 59.2496 29.2301 178.0299 57 R 3.8969 7.7691 118.2245 58.3340 30.5355 176.9362 58 Y 4.7434 8.3408 114.3727 57.4508 38.8204 177.7382 59 G 3.7135 8.1359 108.0427 47.9092 0.0000 175.6640 60 A 3.9752 7.9085 122.8253 54.9077 18.4872 179.7756 61 S 4.0345 7.9712 113.1803 61.8208 62.9616 177.0058 62 V 3.5745 8.0777 121.1395 65.8664 31.2237 178.0732 63 R 3.7813 8.2464 118.9014 59.1001 29.8746 178.3892 64 Q 3.6561 7.8540 119.3186 58.9920 29.0268 177.3803 65 D 4.2171 8.0000 119.0760 57.4383 41.2563 178.3936 66 V 3.4790 7.9272 118.8075 65.9389 31.2657 177.6472 67 L 3.7825 7.5104 117.3617 57.8500 41.5301 179.2983 68 G 3.6776 7.5631 103.9004 47.9534 0.0000 174.7081 69 D 4.4580 8.1856 120.6051 56.7549 41.2267 179.3725 70 L 4.3817 8.2252 119.5655 54.7920 41.6572 179.6069 *72 S 4.8640 7.9528 114.8959 59.0252 65.0838 176.6819 73 R 4.0094 8.2470 119.1693 59.5410 29.7367 179.0294 74 N 4.5201 8.6935 116.4176 55.9667 38.5009 177.4480 75 F 4.3494 8.4625 121.8634 61.4708 39.5977 177.0352 76 I 3.4681 7.9358 119.4507 64.5154 36.8942 178.2039 77 D 4.3086 8.2718 119.3953 57.1973 40.6001 178.6312 78 A 3.9702 8.0300 121.5947 55.1765 18.3280 179.7277 79 I 3.7406 7.4984 111.2919 63.6225 37.1731 178.6632 80 I 3.6583 7.3682 121.8468 64.2287 36.7536 178.4712 81 K 3.9739 7.9082 118.0699 59.3791 31.9326 177.9574 82 E 4.2042 8.4976 115.6551 55.7566 30.0179 176.1666 83 K 3.8026 7.2296 116.9610 57.6354 30.0281 175.1785 84 I 4.4713 7.9173 118.2127 59.9005 39.7301 177.2866 85 N 4.9492 8.6748 123.8068 50.5081 39.8366 171.8483 86 P 4.9668 0.0000 0.0000 62.3793 32.5340 175.3045 87 A 3.8928 9.0137 125.2147 51.0631 20.5712 178.4122 88 G 3.6956 8.6198 111.7938 44.9959 0.0000 171.6306 89 A 4.4976 8.4181 122.9577 50.2014 19.8395 175.9143 90 P 4.7117 0.0000 0.0000 63.1455 32.8660 175.7092 91 T 4.6305 8.8877 117.9325 62.1557 70.7991 173.2156 92 Y 4.5421 8.7330 124.4220 57.2945 39.8359 174.7898 93 V 4.6678 9.2543 125.5142 60.0448 32.2533 172.3153 94 P 4.8306 0.0000 0.0000 62.5467 32.4362 176.8265 95 G 4.0295 8.0176 110.0392 44.8602 0.0000 172.6725 96 E 4.3659 8.7646 120.4811 56.0794 30.2370 175.2166 97 Y 4.8663 8.6624 126.3859 55.8456 40.4074 174.6049 98 K 4.1877 7.7141 126.2669 53.7516 34.0871 175.2240 99 L 3.9099 8.2302 125.5856 56.9293 42.0445 177.1071 100 G 3.9359 8.7170 113.7344 45.6603 0.0000 172.1837 101 E 4.8087 7.5963 117.9501 53.8023 32.6778 175.6166 102 D 4.8164 8.6862 120.3916 54.7233 41.8971 175.8653 103 F 5.1101 9.4708 123.6816 56.8358 42.4399 173.8423 104 T 5.1538 7.8524 121.8376 62.0185 71.7928 172.5360 105 Y 4.9051 8.3403 121.9954 56.1075 42.2502 173.4919 106 S 5.1103 9.2199 114.9044 56.6877 67.5796 173.5300 107 V 4.5283 8.7715 121.3588 61.2220 34.5113 173.9477 108 E 5.1170 8.8915 127.8426 54.7251 32.2661 175.0207 109 F 4.9188 7.8555 116.5488 56.5655 41.8772 172.3857 110 E 4.9808 8.6417 118.3604 55.1112 31.9109 175.9131 111 V 4.7776 8.3568 115.9684 59.8348 34.5739 174.9708 112 Y 4.4846 8.2840 119.7809 56.8206 38.4129 174.6324 113 P 4.5614 0.0000 0.0000 61.9504 32.4209 175.8342 114 E 4.0038 8.5592 118.9879 56.0363 29.7204 177.4630 115 V 3.5780 8.4493 123.2181 62.0923 31.4817 174.8391 116 E 4.5856 8.6737 125.9002 54.1576 31.1150 175.4432 117 L 4.3659 8.3914 124.6773 54.9641 42.3454 176.2136 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 0 H 8.44 4.65 0.00 3.26 3.39 0.00 5.53 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *2 Q 8.07 4.23 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.89 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 3 V 7.80 4.87 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 0.83 0.00 0.00 0.94 0.00 0.00 4 S 9.04 4.72 0.00 3.71 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 5 V 8.49 4.85 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 0.82 0.00 0.00 0.96 0.00 0.00 6 E 9.19 4.79 0.00 1.81 1.70 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 2.18 2.22 0.00 7 T 8.41 4.39 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 1.22 0.00 0.00 8 T 8.61 4.11 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 1.10 0.00 0.00 9 Q 7.67 4.55 0.00 2.02 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.99 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 10 G 8.27 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 11 L 8.48 4.33 0.00 1.86 1.80 0.97 0.83 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 12 G 7.93 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 13 R 8.46 5.04 0.00 0.67 1.53 0.00 3.20 0.00 0.00 2.99 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.61 0.00 14 R 8.64 4.85 0.00 1.71 1.60 0.00 3.17 0.00 0.00 3.04 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.50 0.00 15 V 9.03 4.86 2.44 0.00 0.00 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 1.27 0.00 0.00 16 T 9.02 4.89 4.16 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 1.15 0.00 0.00 17 I 8.19 4.95 1.15 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.57 1.00 0.00 0.00 18 T 8.36 5.04 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 19 I 9.36 4.59 2.16 0.00 0.00 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 1.43 1.20 1.05 0.00 0.00 20 A 8.73 4.55 1.38 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 0.00 0.00 21 A 9.91 4.15 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.11 4.42 0.00 2.91 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 23 S 8.00 4.20 0.00 4.16 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 24 I 7.72 3.73 2.14 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 1.59 0.99 0.93 0.00 0.00 25 E 8.34 3.97 0.00 2.30 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 2.33 2.42 0.00 26 T 8.08 3.91 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 1.22 0.00 0.00 27 A 7.95 3.97 1.41 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 28 V 8.13 3.52 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 0.98 0.00 0.00 0.91 0.00 0.00 29 K 8.16 3.92 0.00 2.07 1.98 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.45 7.81 30 S 7.88 4.17 0.00 4.05 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 31 E 8.18 3.92 0.00 2.15 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 0.00 2.27 2.32 0.00 32 L 8.07 3.94 0.00 2.14 1.65 0.96 0.84 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 33 V 7.46 3.67 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 0.83 0.00 0.00 0.95 0.00 0.00 34 N 7.95 4.47 0.00 2.91 2.82 0.00 0.00 6.55 7.14 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 35 V 8.06 3.50 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 0.59 0.00 0.00 0.85 0.00 0.00 36 A 8.07 4.04 1.39 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 37 K 7.64 4.05 0.00 1.86 1.87 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.70 7.81 38 K 7.65 4.22 0.00 1.75 1.78 0.00 1.58 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.54 7.81 39 V 7.16 4.20 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 0.63 0.00 0.00 1.01 0.00 0.00 40 R 8.38 4.87 0.00 1.74 1.77 0.00 3.20 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 41 I 8.02 4.49 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.68 0.95 0.00 0.00 42 D 8.22 4.15 0.00 2.69 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 43 G 7.98 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 44 F 8.22 4.46 0.00 2.88 2.95 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 45 R 8.33 4.27 0.00 2.01 1.97 0.00 2.69 0.00 0.00 2.96 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.56 0.00 46 K 8.47 4.11 0.00 1.75 1.81 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.53 1.50 7.81 47 G 8.95 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 0.00 0.00 0.00 0.00 48 K 7.50 4.46 0.00 2.23 1.64 0.00 1.65 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.73 1.43 7.81 49 V 7.60 3.79 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 0.81 0.00 0.00 1.02 0.00 0.00 50 P 0.00 4.52 0.00 2.17 1.85 0.00 3.62 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.98 0.00 *52 N 8.72 4.71 0.00 2.80 2.89 0.00 0.00 6.89 7.31 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 53 I 7.82 3.74 2.06 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 1.39 0.84 0.92 0.00 0.00 54 V 7.77 3.79 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 1.21 0.00 0.00 1.03 0.00 0.00 55 A 7.95 3.97 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 56 Q 7.80 3.85 0.00 2.17 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.88 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 57 R 7.77 3.90 0.00 1.61 1.67 0.00 3.02 0.00 0.00 2.89 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.06 0.00 58 Y 8.34 4.74 0.00 3.18 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 59 G 8.14 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 60 A 7.91 3.98 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 61 S 7.97 4.03 0.00 3.96 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 62 V 8.08 3.57 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 1.05 0.00 0.00 1.00 0.00 0.00 63 R 8.25 3.78 0.00 1.98 1.97 0.00 3.17 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.44 0.00 64 Q 7.85 3.66 0.00 2.30 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.54 0.00 0.00 0.00 0.00 0.00 2.23 2.22 0.00 65 D 8.00 4.22 0.00 2.69 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 66 V 7.93 3.48 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 0.79 0.00 0.00 0.95 0.00 0.00 67 L 7.51 3.78 0.00 1.44 1.22 -0.22 0.12 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 68 G 7.56 3.68 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 0.00 0.00 0.00 69 D 8.19 4.46 0.00 2.72 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 70 L 8.23 4.38 0.00 1.84 1.72 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 *72 S 7.95 4.86 0.00 4.04 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 R 8.25 4.01 0.00 1.90 2.03 0.00 3.13 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.81 0.00 74 N 8.69 4.52 0.00 3.17 3.09 0.00 0.00 6.69 8.71 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 75 F 8.46 4.35 0.00 3.39 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 76 I 7.94 3.47 2.05 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.53 0.89 0.00 0.00 77 D 8.27 4.31 0.00 2.72 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 78 A 8.03 3.97 1.39 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 79 I 7.50 3.74 1.80 0.00 0.00 0.47 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 0.71 0.01 0.00 0.00 80 I 7.37 3.66 1.97 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 1.47 1.04 0.88 0.00 0.00 81 K 7.91 3.97 0.00 1.86 1.86 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.55 7.81 82 E 8.50 4.20 0.00 1.95 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 0.00 2.47 2.42 0.00 83 K 7.23 3.80 0.00 1.91 1.86 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.38 7.81 84 I 7.92 4.47 1.85 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.64 1.17 0.00 0.00 85 N 8.67 4.95 0.00 2.79 2.87 0.00 0.00 7.15 8.03 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 86 P 0.00 4.97 0.00 1.86 1.65 0.00 3.59 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.47 0.00 87 A 9.01 3.89 0.37 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 88 G 8.62 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 89 A 8.42 4.50 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 90 P 0.00 4.71 0.00 1.58 1.87 0.00 3.79 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.01 0.00 91 T 8.89 4.63 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 1.24 0.00 0.00 92 Y 8.73 4.54 0.00 2.87 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 93 V 9.25 4.67 2.19 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 1.11 0.00 0.00 0.94 0.00 0.00 94 P 0.00 4.83 0.00 2.40 2.26 0.00 3.92 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 2.11 2.07 0.00 95 G 8.02 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 96 E 8.76 4.37 0.00 2.02 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 2.36 2.37 0.00 97 Y 8.66 4.87 0.00 2.73 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 98 K 7.71 4.19 0.00 1.65 1.65 0.00 1.86 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.32 7.81 99 L 8.23 3.91 0.00 1.58 1.57 1.07 1.14 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 0.00 100 G 8.72 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 0.00 101 E 7.60 4.81 0.00 1.89 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 2.20 2.33 0.00 102 D 8.69 4.82 0.00 2.61 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 0.00 103 F 9.47 5.11 0.00 3.39 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 0.00 104 T 7.85 5.15 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 1.12 0.00 0.00 105 Y 8.34 4.91 0.00 3.25 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 0.00 106 S 9.22 5.11 0.00 3.72 3.68 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 0.00 107 V 8.77 4.53 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 -0.26 0.00 0.00 0.56 0.00 0.00 108 E 8.89 5.12 0.00 1.86 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 2.14 2.17 0.00 109 F 7.86 4.92 0.00 3.16 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 0.00 110 E 8.64 4.98 0.00 1.85 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 2.29 2.23 0.00 111 V 8.36 4.78 2.25 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 0.91 0.00 0.00 1.05 0.00 0.00 112 Y 8.28 4.48 0.00 2.93 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 0.00 113 P 0.00 4.56 0.00 2.22 2.11 0.00 4.00 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 2.08 2.05 0.00 114 E 8.56 4.00 0.00 2.00 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 2.34 2.26 0.00 115 V 8.45 3.58 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 0.67 0.00 0.00 0.92 0.00 0.00 116 E 8.67 4.59 0.00 1.95 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 2.21 2.31 0.00 117 L 8.39 4.37 0.00 1.62 1.50 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.