NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 K 4.0553 8.2993 119.9843 56.0081 32.8138 175.0725 12 F 4.1574 8.1224 119.9287 57.0227 38.0409 174.5419 13 R 4.2261 8.9860 122.7315 56.8544 32.6476 179.5828 14 V 3.0390 7.8890 116.4653 62.7059 31.1057 172.7820 15 R 4.2309 8.8874 112.3678 56.8854 27.3341 177.2908 16 N 4.4564 7.4658 115.7277 55.3243 39.5419 176.8217 17 R 4.3665 6.9465 121.5371 54.2804 28.2208 176.7794 18 I 3.3742 8.5666 113.0205 61.0655 36.3789 174.3919 19 K 4.4982 7.8267 115.0798 56.0468 32.9471 174.9251 20 R 4.5732 7.9495 116.4863 54.5813 31.0879 176.2811 21 T 4.6138 8.2543 116.4177 63.0935 71.5268 174.9653 22 G 3.8908 8.2381 109.8141 44.6096 0.0000 173.7060 23 R 3.1973 8.2050 118.4592 56.7126 29.5830 174.3566 24 L 3.6195 8.1423 120.4224 55.2258 39.1659 174.4839 25 R 4.6513 8.6336 124.2465 55.3975 32.5483 175.7575 26 L 5.2847 7.3969 113.1353 55.7892 42.0965 175.4491 27 S 4.1939 7.6613 115.4816 58.6965 64.1266 173.5198 28 V 4.8900 8.0087 123.2055 61.0693 35.3602 174.4362 29 F 5.0670 8.6261 125.0448 56.6699 42.3500 172.9689 30 R 4.8232 9.2773 127.2002 55.2097 30.8386 175.3795 31 S 4.7448 8.3228 119.5222 55.9080 65.5884 174.4463 32 L 4.1395 8.6633 125.0258 57.1043 41.4588 178.2273 33 K 4.5589 7.7763 114.4406 55.9978 34.2814 175.1667 34 H 5.0711 7.7552 114.6571 56.6549 30.1134 173.2017 35 I 5.5920 7.1128 123.7614 62.4569 38.8517 173.8222 36 Y 4.7465 8.3295 123.8789 58.3403 40.9128 173.6056 37 A 4.6088 8.0280 116.1290 52.3087 22.3773 175.9838 38 Q 4.8777 8.8862 121.5279 54.0906 33.4138 175.1046 39 I 4.8087 8.0925 121.2960 59.8996 39.2558 174.4898 40 I 4.5054 8.1286 128.0596 60.0573 39.2405 174.8028 41 D 5.0464 8.1198 125.0388 52.0245 40.9779 175.1001 42 D 4.5908 8.0727 123.5647 54.4711 41.7817 176.8003 43 E 3.9172 8.8921 116.1570 57.2758 27.1695 174.9348 44 K 4.4509 8.0660 116.4177 55.6166 37.5696 176.8720 45 G 3.8574 7.8998 105.6509 45.8853 0.0000 173.9939 46 V 4.0420 7.1846 120.1828 63.0382 34.6230 175.0308 47 T 4.5020 8.1930 116.6413 63.1923 70.0985 173.9627 48 L 4.1355 8.6913 126.4010 57.4306 41.7421 177.4353 49 V 4.6349 7.1951 116.2667 61.0598 35.5902 173.4288 50 S 5.4218 8.2487 111.1814 58.0595 64.6058 177.1762 51 A 4.8014 8.5723 125.3840 49.4616 18.0633 174.7093 52 S 4.1551 8.1885 116.8241 57.0935 64.1626 176.7429 53 S 4.6414 7.4123 120.0860 57.9898 60.6605 176.9929 54 L 3.9190 8.3769 115.4404 57.7347 41.4245 178.1197 55 A 4.5052 6.9048 121.0549 52.0328 18.0850 177.9265 56 L 4.5354 8.9033 121.0100 55.9228 46.5204 176.8093 57 K 4.5771 9.0635 122.4713 54.1383 30.0691 175.5988 58 L 3.2612 8.0301 113.1100 55.2900 42.4821 177.1239 59 K 4.4137 8.1822 118.5655 56.2819 31.1550 178.9737 60 G 4.1249 8.3097 113.6710 46.6291 0.0000 173.0452 61 N 4.4128 7.7658 119.0856 51.6728 40.2037 177.4556 62 K 4.8698 8.1032 121.6776 56.8764 31.6013 177.0770 63 T 3.7639 8.2981 114.9698 65.7441 69.5352 175.6983 64 E 4.0753 8.4306 122.9268 58.7217 29.3519 179.1494 65 V 3.6677 7.6984 117.9126 65.6649 31.3218 177.7201 66 A 3.9720 8.1547 120.2432 55.3512 18.4116 179.3435 67 R 3.9356 7.5866 115.0935 59.5603 30.0745 178.9610 68 Q 3.9908 8.0219 117.0137 59.2786 29.0349 179.5949 69 V 3.7040 8.1697 120.0152 64.7381 31.0257 178.1026 70 G 3.6077 8.1916 107.3293 47.4912 0.0000 175.7635 71 R 4.0130 8.0966 120.4957 59.2086 29.9732 177.7735 72 A 4.0262 8.4364 121.2292 54.5399 18.2072 178.8629 73 L 3.8811 8.3568 116.3309 58.0908 42.6134 178.9501 74 A 3.8216 8.9236 117.0197 56.1510 17.9561 179.2972 75 E 3.5747 7.9275 114.1147 58.1356 30.0714 179.9184 76 K 4.2365 7.9691 120.6038 60.3917 32.5480 178.0976 77 A 3.8823 8.9493 119.9541 55.0358 18.3477 181.1274 78 L 3.6845 8.3394 112.6122 56.6575 41.9412 179.4135 79 A 4.2211 7.6155 116.1998 53.0644 17.9522 177.9509 80 L 4.5285 8.6584 120.1176 56.0487 43.8024 176.6208 81 G 3.5801 7.9775 106.2694 45.1640 0.0000 173.3268 82 I 4.4070 7.2726 120.4855 59.4412 38.6754 174.7228 83 K 4.4569 7.7472 131.6464 56.5431 33.9276 173.9767 84 Q 5.0152 8.0962 119.7323 54.4328 31.3064 173.3212 85 V 4.3838 7.4419 122.8737 59.9568 38.5431 176.5122 86 A 4.2726 8.8839 126.6484 52.1023 22.7656 176.6832 87 F 4.9508 9.1298 125.4871 60.0566 40.3888 172.5864 88 D 3.7853 6.5923 124.2926 53.5226 44.9039 177.0085 89 R 3.6336 7.6712 129.4819 55.0870 31.0631 175.5157 90 G 3.7787 8.6572 112.8684 46.6099 0.0000 173.9605 91 P 4.6077 0.0000 0.0000 61.2068 30.0227 177.5447 92 Y 3.8820 9.2480 115.7581 57.4404 38.5201 175.5386 93 K 3.1609 6.0910 120.0982 59.3299 29.6608 177.8209 94 Y 3.9239 5.3700 120.2623 57.6493 37.4075 173.5805 95 H 4.5133 8.3208 124.2559 54.9944 34.5277 176.8896 96 G 3.5669 8.4845 111.6150 46.3399 0.0000 175.4355 97 R 3.8325 9.3750 111.8093 56.7257 30.1361 176.8227 98 V 3.0983 8.6202 119.4932 62.5193 30.7090 176.2626 99 K 4.3299 8.5210 123.2667 56.4686 31.6667 175.6549 100 A 3.9837 6.9579 126.0118 51.7660 17.8458 176.7643 101 L 4.6225 7.7508 119.6932 53.3311 42.8913 176.2619 102 A 3.9531 8.8642 124.6510 53.5785 18.1885 180.3627 103 E 3.7205 7.9917 117.1715 57.8407 31.0736 178.1652 104 G 3.8752 8.1315 114.0645 46.0559 0.0000 173.0674 105 A 4.4585 8.1785 129.9834 52.4979 18.2360 178.4576 106 R 4.1111 7.9366 118.5590 56.8055 30.3971 176.4861 107 E 3.7963 8.5403 117.9245 56.4468 29.6817 172.1523 108 G 3.9516 8.6835 107.6088 45.4775 0.0000 173.8950 *109 G 3.7078 7.7714 111.6185 45.6613 0.0000 172.3430 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 11 K 8.30 4.06 0.00 1.77 1.84 0.00 1.54 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.27 1.42 7.81 12 F 8.12 4.16 0.00 3.07 3.16 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 13 R 8.99 4.23 0.00 1.86 2.07 0.00 3.47 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 14 V 7.89 3.04 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 0.83 0.00 0.00 0.93 0.00 0.00 15 R 8.89 4.23 0.00 1.98 1.92 0.00 3.33 0.00 0.00 3.32 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.57 0.00 16 N 7.47 4.46 0.00 2.42 2.52 0.00 0.00 6.84 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 17 R 6.95 4.37 0.00 1.97 1.50 0.00 3.12 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.49 0.00 18 I 8.57 3.37 1.84 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 1.28 0.98 0.94 0.00 0.00 19 K 7.83 4.50 0.00 1.73 1.85 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.31 1.45 7.81 20 R 7.95 4.57 0.00 1.79 1.82 0.00 3.35 0.00 0.00 3.20 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.51 0.00 21 T 8.25 4.61 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 22 G 8.24 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 23 R 8.21 3.20 0.00 1.88 1.89 0.00 3.32 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.73 0.00 24 L 8.14 3.62 0.00 1.83 1.71 0.97 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 25 R 8.63 4.65 0.00 1.61 1.84 0.00 3.17 0.00 0.00 3.06 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.48 0.00 26 L 7.40 5.28 0.00 1.73 1.64 1.14 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 27 S 7.66 4.19 0.00 3.92 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 28 V 8.01 4.89 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 1.04 0.00 0.00 1.05 0.00 0.00 29 F 8.63 5.07 0.00 2.94 2.77 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 30 R 9.28 4.82 0.00 1.96 1.96 0.00 3.31 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.74 0.00 31 S 8.32 4.74 0.00 3.35 3.45 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 32 L 8.66 4.14 0.00 1.67 1.74 0.95 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.78 4.56 0.00 1.58 1.70 0.00 1.62 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.32 1.46 7.81 34 H 7.76 5.07 0.00 3.03 2.96 0.00 5.79 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 7.11 5.59 1.86 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.81 0.86 0.00 0.00 36 Y 8.33 4.75 0.00 2.85 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 37 A 8.03 4.61 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 38 Q 8.89 4.88 0.00 1.97 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.69 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 39 I 8.09 4.81 1.98 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.38 0.93 0.00 0.00 40 I 8.13 4.51 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.74 1.03 0.00 0.00 41 D 8.12 5.05 0.00 2.80 2.51 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 42 D 8.07 4.59 0.00 2.81 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.89 3.92 0.00 2.11 2.04 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 2.20 2.21 0.00 44 K 8.07 4.45 0.00 1.62 2.09 0.00 1.90 0.00 0.00 1.89 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.38 7.81 45 G 7.90 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 46 V 7.18 4.04 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 0.97 0.00 0.00 0.93 0.00 0.00 47 T 8.19 4.50 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 1.47 0.00 0.00 48 L 8.69 4.14 0.00 1.53 1.74 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 49 V 7.20 4.63 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 1.11 0.00 0.00 0.95 0.00 0.00 50 S 8.25 5.42 0.00 3.91 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 51 A 8.57 4.80 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 52 S 8.19 4.16 0.00 3.37 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 53 S 7.41 4.64 0.00 3.96 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 54 L 8.38 3.92 0.00 1.77 1.72 0.96 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 55 A 6.90 4.51 1.08 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 0.00 0.00 0.00 56 L 8.90 4.54 0.00 1.38 1.81 0.92 0.53 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 57 K 9.06 4.58 0.00 1.84 1.65 0.00 1.90 0.00 0.00 1.69 0.00 0.00 2.78 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.17 1.16 7.81 58 L 8.03 3.26 0.00 1.67 1.70 0.89 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 59 K 8.18 4.41 0.00 1.72 1.66 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.43 1.54 7.81 60 G 8.31 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 61 N 7.77 4.41 0.00 2.68 2.65 0.00 0.00 7.13 6.68 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 62 K 8.10 4.87 0.00 1.91 1.66 0.00 1.74 0.00 0.00 1.85 0.00 0.00 3.05 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.28 1.08 7.81 63 T 8.30 3.76 4.19 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 0.00 0.00 0.00 1.16 0.00 0.00 64 E 8.43 4.08 0.00 2.08 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 0.00 2.30 2.32 0.00 65 V 7.70 3.67 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 1.00 0.00 0.00 0.92 0.00 0.00 66 A 8.15 3.97 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 67 R 7.59 3.94 0.00 2.03 1.96 0.00 3.28 0.00 0.00 3.13 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.80 0.00 68 Q 8.02 3.99 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.86 0.00 0.00 0.00 0.00 0.00 2.44 2.58 0.00 69 V 8.17 3.70 2.04 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 0.87 0.00 0.00 0.94 0.00 0.00 70 G 8.19 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.10 4.01 0.00 1.86 2.03 0.00 3.13 0.00 0.00 3.34 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.92 0.00 72 A 8.44 4.03 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 73 L 8.36 3.88 0.00 1.80 1.74 1.04 1.12 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 74 A 8.92 3.82 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 75 E 7.93 3.57 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 2.63 0.00 76 K 7.97 4.24 0.00 1.87 1.88 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.11 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.73 7.81 77 A 8.95 3.88 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 78 L 8.34 3.68 0.00 1.99 1.65 0.96 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 79 A 7.62 4.22 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 80 L 8.66 4.53 0.00 1.69 1.70 1.04 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 81 G 7.98 3.58 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 0.00 0.00 0.00 82 I 7.27 4.41 1.89 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 1.31 0.93 0.93 0.00 0.00 83 K 7.75 4.46 0.00 1.78 1.76 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.85 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.26 1.22 7.81 84 Q 8.10 5.02 0.00 2.01 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.50 0.00 0.00 0.00 0.00 0.00 2.24 2.41 0.00 85 V 7.44 4.38 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 0.70 0.00 0.00 0.99 0.00 0.00 86 A 8.88 4.27 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 87 F 9.13 4.95 0.00 3.06 3.15 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 0.00 0.00 0.00 88 D 6.59 3.79 0.00 2.37 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 0.00 0.00 0.00 0.00 89 R 7.67 3.63 0.00 1.71 2.05 0.00 3.72 0.00 0.00 3.34 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.88 0.00 90 G 8.66 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 0.00 0.00 0.00 91 P 0.00 4.61 0.00 1.88 1.32 0.00 3.61 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.34 0.00 92 Y 9.25 3.88 0.00 3.23 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 93 K 6.09 3.16 0.00 1.86 1.97 0.00 1.61 0.00 0.00 1.58 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.28 1.46 7.81 94 Y 5.37 3.92 0.00 2.73 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 95 H 8.32 4.51 0.00 3.01 3.20 0.00 6.12 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 G 8.48 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 97 R 9.37 3.83 0.00 1.91 2.05 0.00 3.21 0.00 0.00 3.36 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.83 0.00 98 V 8.62 3.10 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 0.63 0.00 0.00 0.46 0.00 0.00 99 K 8.52 4.33 0.00 1.77 1.91 0.00 1.84 0.00 0.00 1.79 0.00 0.00 3.12 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.67 1.61 7.81 100 A 6.96 3.98 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 L 7.75 4.62 0.00 1.76 1.76 0.97 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 102 A 8.86 3.95 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 0.00 103 E 7.99 3.72 0.00 2.01 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 2.31 2.32 0.00 104 G 8.13 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 105 A 8.18 4.46 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 0.00 106 R 7.94 4.11 0.00 1.98 1.99 0.00 3.43 0.00 0.00 3.09 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.78 0.00 107 E 8.54 3.80 0.00 2.13 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 2.17 2.34 0.00 108 G 8.68 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 0.00 0.00 0.00 *109 G 7.77 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 * Residues marked with a * may have inaccurate shift predictions.