NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.5011 0.0000 0.0000 62.7153 33.3697 174.6339 2 L 5.1527 8.4463 119.8885 52.6684 44.2695 174.5533 3 L 4.9737 9.1762 121.7881 53.3227 46.4501 175.2542 4 S 5.1113 8.4927 114.9346 57.0940 65.7364 172.9933 5 A 4.9529 9.2720 127.8975 50.2897 22.3543 175.0501 6 S 4.9991 8.6273 114.9714 56.5974 66.7377 172.8615 7 I 4.7368 8.3926 113.5984 59.5015 41.2657 175.9981 8 V 4.2861 7.9834 113.5135 60.8147 32.6564 175.1197 9 S 4.8472 7.3523 112.2246 57.8809 65.0496 174.6726 10 A 4.8605 8.8430 121.5663 49.3173 22.2403 174.4103 11 P 4.3799 0.0000 0.0000 62.5151 32.2414 176.7195 12 V 3.6367 8.3489 123.8600 62.8897 31.8983 175.5937 13 V 4.4911 7.7912 119.0952 59.8896 35.7521 173.9896 14 T 4.4757 7.6850 110.8979 60.1258 71.2844 173.7547 15 S 4.3855 8.2017 114.6762 57.5698 65.8681 176.0705 16 E 4.1448 8.8761 125.7594 57.9388 30.0246 176.2933 17 T 4.5911 6.9854 109.2029 59.3549 71.7695 173.7500 18 Y 4.5322 8.4283 120.3799 58.6602 38.4640 176.1397 19 V 4.7267 9.0093 116.8393 59.1718 35.8354 174.9517 20 D 4.8187 8.8224 123.1608 54.8133 41.7709 176.2812 21 I 3.8726 8.4795 124.3208 59.4443 37.9101 173.9611 22 P 4.3780 0.0000 0.0000 64.0250 31.6352 177.1274 23 G 3.9843 9.0098 111.1743 45.1456 0.0000 173.9749 24 L 4.5376 7.5062 121.5307 53.1059 40.3350 173.8523 25 Y 5.0776 7.8259 120.3566 55.8814 42.5582 173.5514 26 L 4.6629 8.7558 126.7082 52.9927 44.8583 175.2754 27 D 4.5471 8.6962 124.1698 53.2382 41.2045 176.6765 28 V 3.6111 8.3603 126.4172 65.8367 32.3541 177.8570 29 A 4.0188 8.3111 122.5139 55.1329 17.9564 179.5612 30 K 3.9021 8.4765 116.9695 59.1144 32.3428 178.0446 31 A 4.3095 7.4580 118.5479 51.8697 18.4503 177.8060 32 G 3.6809 7.9394 105.6683 45.9260 0.0000 173.6159 33 I 4.0927 7.3765 120.2037 59.6755 37.5455 175.8280 34 R 4.6345 8.3084 122.7829 55.6089 32.1001 174.6952 35 D 5.2545 7.4891 114.8949 54.3931 41.8554 174.9539 36 G 3.9031 8.7987 106.8751 45.4546 0.0000 172.1245 37 K 5.0913 7.8122 117.9647 54.5079 36.2576 175.5438 38 L 5.0672 8.6519 122.1344 53.0263 45.5714 175.4447 39 Q 4.4356 9.0422 126.3633 55.4165 30.2019 174.3603 40 V 4.9153 8.8365 127.6553 61.1790 34.1812 174.2872 41 I 4.8173 8.9029 128.5370 59.4721 40.3683 174.1168 42 L 4.7567 9.0979 130.7092 53.6495 43.6177 174.6861 43 N 4.9508 9.2493 126.5690 52.0861 41.4286 173.0193 44 V 4.4470 8.8726 128.3506 60.3716 31.7537 173.9937 45 P 4.4533 0.0000 0.0000 64.5971 32.3157 177.1887 46 T 5.2494 7.5246 115.6327 62.2700 68.6759 172.0780 47 P 5.2440 0.0000 0.0000 62.8463 33.8154 174.9731 48 Y 5.6184 8.6991 117.5555 55.7318 41.4628 174.0115 49 A 5.2298 9.3266 121.0462 50.3995 22.2809 175.6174 50 T 4.6895 8.8162 110.7300 59.6414 72.0152 173.9819 51 G 4.1873 7.5949 108.7365 47.0274 0.0000 172.0430 52 N 5.0556 8.7818 114.8925 52.9670 39.8642 175.5619 53 N 4.7472 7.7204 116.3601 53.5026 40.0173 173.0044 54 F 4.0499 8.2823 121.1305 56.3048 36.9528 173.4096 55 P 4.6941 0.0000 0.0000 62.0958 33.6260 176.3204 56 G 3.8194 7.6544 106.7603 46.3326 0.0000 171.7531 57 I 4.5095 6.2701 119.1966 59.3474 41.2963 174.2339 58 Y 4.4973 8.4725 128.0789 56.3059 40.3774 174.1884 59 F 5.6912 9.5627 124.9185 55.8679 42.5353 174.3189 60 A 5.1830 9.2848 122.5837 50.4224 23.0182 174.8601 61 I 4.8011 8.5193 120.8427 59.7926 39.1782 174.9127 62 A 5.2662 9.1039 128.7948 50.4821 22.7349 175.4122 63 T 4.7816 8.1154 109.6088 58.6135 71.5492 174.1400 64 N 4.2770 7.7999 117.0624 56.8834 38.4968 176.3155 65 Q 4.1014 7.5774 115.1863 56.2501 29.8058 175.0904 66 G 3.9074 7.7113 103.4646 43.8829 0.0000 172.8469 67 V 3.9933 8.3579 121.6712 63.1275 31.9750 176.9850 68 V 4.3062 8.3573 120.2196 62.2671 33.2546 176.0064 69 A 4.7509 7.6042 119.6277 51.1103 22.2785 174.8297 70 D 5.2653 8.5067 119.2902 52.4189 43.5334 173.6787 71 G 4.4369 9.4299 105.2751 46.8193 0.0000 171.7565 72 C 5.2854 8.8576 113.1497 57.4937 32.3282 173.2195 73 F 5.2733 8.2976 114.6717 55.4773 40.5928 174.2639 74 T 4.9085 8.2332 109.0833 60.2592 71.7459 173.2416 75 Y 4.5594 8.8079 121.3728 58.5011 38.5663 176.0720 76 S 4.8742 8.8444 116.3833 58.6484 63.5673 174.3905 77 S 4.9890 7.7607 116.6763 56.2233 66.2431 175.0177 78 K 2.0000 8.2320 124.1570 58.2894 31.9773 176.6286 79 V 4.2484 6.9906 119.7402 59.4885 31.9390 172.3822 80 P 4.1760 0.0000 0.0000 62.2750 31.9047 176.2828 81 E 4.0154 8.8780 123.3663 58.7634 29.6603 177.1555 82 S 4.4576 7.4480 110.3563 56.3492 65.4087 173.7142 83 T 3.6471 8.2313 117.5198 60.3990 67.5478 174.6692 84 G 3.8056 8.0595 116.7743 45.3111 0.0000 171.5745 85 R 5.0915 7.9248 118.4661 54.0129 31.6273 174.2213 *87 P 4.4316 0.0000 0.0000 62.7731 32.4962 176.0853 88 F 4.7550 8.9101 123.5364 56.8387 42.7149 173.4147 89 T 4.8999 7.5859 121.3153 61.5318 72.4139 172.9368 90 L 4.5711 8.7927 127.1130 53.1389 45.3547 175.0400 91 V 4.9806 8.4647 125.2471 61.1152 34.1068 174.4440 92 A 4.7128 9.0458 128.3490 50.7818 22.9034 174.7287 93 T 5.0614 8.5949 118.9379 61.7550 70.3907 174.0098 94 I 4.6495 8.5734 119.7049 58.9177 41.3491 174.2309 95 D 4.8618 8.5071 123.5962 53.7899 41.8963 176.5377 96 V 3.7526 8.9932 124.9310 62.6038 32.0083 176.0109 97 G 4.2253 8.4391 117.8408 43.6947 0.0000 173.0816 98 S 4.0156 8.7279 113.8601 61.0846 62.5894 175.6278 99 G 3.7944 7.9627 106.6609 45.0483 0.0000 173.0150 100 V 4.1788 7.7239 121.0359 61.5066 31.8995 175.2375 101 T 4.7719 9.2870 117.3721 61.3467 70.3871 173.3432 102 F 5.2193 7.4470 116.2426 55.8263 41.7521 173.3511 103 V 4.8628 8.4006 112.2570 59.6490 35.5065 175.0180 104 K 4.9971 9.2221 122.0079 55.6479 36.6913 174.9315 105 G 4.3913 8.9147 108.4967 45.2752 0.0000 172.8744 106 Q 5.4315 9.1147 121.4690 53.9944 33.8950 173.8618 107 W 6.0802 9.5850 116.7866 55.6616 32.0799 173.6740 108 K 4.6774 8.9394 119.1047 55.3310 35.7506 175.5498 109 S 4.2095 8.6296 118.3162 58.6525 63.8340 173.9803 110 V 3.9769 8.0826 123.2146 61.6301 32.7820 176.2999 111 R 3.5296 9.4941 128.4648 57.5005 27.4465 177.1891 112 G 3.8836 8.2089 102.4601 45.5234 0.0000 174.1675 113 S 4.3018 7.7219 116.3905 58.5910 63.5955 174.4781 114 A 4.7102 8.1690 125.7364 50.6376 21.5047 175.2389 *116 H 4.7421 8.5080 112.3413 56.0162 30.5483 172.9378 117 I 4.9641 8.6956 123.6483 59.2886 40.2788 175.4715 118 D 4.9631 8.8446 125.4195 52.4367 40.1591 174.7566 119 S 4.8327 7.8571 113.0359 58.7062 65.6471 172.8100 120 Y 4.4702 8.8247 120.1943 59.0532 38.7188 175.8346 121 A 4.7871 8.2178 126.3355 50.7058 23.3641 174.8876 122 S 4.8685 9.0002 113.3882 56.6793 67.3428 172.6505 123 L 5.1896 9.0673 122.8562 53.5792 44.8417 175.4171 124 S 5.3408 9.1927 121.3248 56.9446 67.4105 172.9212 125 A 5.7826 8.9325 122.8356 50.5027 23.0221 175.1623 126 I 4.8156 8.3190 121.3571 59.1570 40.4713 174.8567 127 W 4.8245 9.0133 135.0000 57.4081 31.7755 175.1364 128 G 3.7152 7.6946 111.6981 45.4013 0.0000 171.8101 129 T 4.4075 7.5893 109.7051 59.8829 69.9931 175.3077 130 A 3.7767 8.3803 125.5025 54.8397 18.8775 177.6720 *131 A 4.1172 7.8752 122.3852 52.5451 18.9464 176.1741 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 1 P 0.00 4.50 0.00 2.11 2.18 0.00 3.50 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.78 0.00 2 L 8.45 5.15 0.00 1.63 1.62 0.94 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 3 L 9.18 4.97 0.00 1.58 1.51 0.95 0.55 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 4 S 8.49 5.11 0.00 3.85 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 5 A 9.27 4.95 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 6 S 8.63 5.00 0.00 3.46 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 7 I 8.39 4.74 1.96 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.75 0.90 0.00 0.00 8 V 7.98 4.29 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 0.93 0.00 0.00 0.97 0.00 0.00 9 S 7.35 4.85 0.00 3.87 3.83 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 10 A 8.84 4.86 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 11 P 0.00 4.38 0.00 2.02 2.04 0.00 3.76 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.12 0.00 12 V 8.35 3.64 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 0.49 0.00 0.00 0.86 0.00 0.00 13 V 7.79 4.49 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.80 0.00 0.00 14 T 7.69 4.48 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 1.16 0.00 0.00 15 S 8.20 4.39 0.00 3.74 3.60 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.88 4.14 0.00 2.03 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 2.20 2.18 0.00 17 T 6.99 4.59 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 1.17 0.00 0.00 18 Y 8.43 4.53 0.00 2.95 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 19 V 9.01 4.73 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 0.78 0.00 0.00 1.20 0.00 0.00 20 D 8.82 4.82 0.00 2.58 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.48 3.87 1.58 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.04 0.39 0.00 0.00 22 P 0.00 4.38 0.00 2.01 1.97 0.00 3.63 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 23 G 9.01 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 0.00 0.00 0.00 24 L 7.51 4.54 0.00 1.57 1.58 0.77 0.54 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 25 Y 7.83 5.08 0.00 2.83 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 26 L 8.76 4.66 0.00 1.47 1.48 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 27 D 8.70 4.55 0.00 2.92 2.65 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 28 V 8.36 3.61 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 0.93 0.00 0.00 0.90 0.00 0.00 29 A 8.31 4.02 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 30 K 8.48 3.90 0.00 1.98 2.08 0.00 1.82 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.47 7.81 31 A 7.46 4.31 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 32 G 7.94 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 33 I 7.38 4.09 1.96 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 0.84 0.62 0.97 0.00 0.00 34 R 8.31 4.63 0.00 2.00 1.90 0.00 3.36 0.00 0.00 3.28 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.14 0.00 35 D 7.49 5.25 0.00 2.80 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 36 G 8.80 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 0.00 0.00 0.00 37 K 7.81 5.09 0.00 1.49 1.52 0.00 1.50 0.00 0.00 1.50 0.00 0.00 2.77 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.41 1.21 7.81 38 L 8.65 5.07 0.00 1.55 1.53 0.95 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 39 Q 9.04 4.44 0.00 2.09 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 40 V 8.84 4.92 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 1.03 0.00 0.00 0.92 0.00 0.00 41 I 8.90 4.82 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 1.09 0.60 0.88 0.00 0.00 42 L 9.10 4.76 0.00 1.75 1.60 0.94 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 43 N 9.25 4.95 0.00 2.77 2.65 0.00 0.00 6.17 7.29 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 44 V 8.87 4.45 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 1.08 0.00 0.00 0.73 0.00 0.00 45 P 0.00 4.45 0.00 2.32 2.34 0.00 3.88 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.19 0.00 46 T 7.52 5.25 4.35 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 1.29 0.00 0.00 47 P 0.00 5.24 0.00 2.62 2.59 0.00 3.64 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.18 0.00 48 Y 8.70 5.62 0.00 3.17 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 49 A 9.33 5.23 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 50 T 8.82 4.69 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 1.41 0.00 0.00 51 G 7.59 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 0.00 0.00 0.00 0.00 52 N 8.78 5.06 0.00 2.65 2.77 0.00 0.00 6.51 8.00 0.00 0.00 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 N 7.72 4.75 0.00 2.62 2.71 0.00 0.00 7.17 7.02 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 54 F 8.28 4.05 0.00 3.24 3.12 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 55 P 0.00 4.69 0.00 2.45 2.09 0.00 4.15 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.97 0.00 56 G 7.65 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 57 I 6.27 4.51 1.21 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.69 -0.03 0.00 0.00 58 Y 8.47 4.50 0.00 2.89 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 59 F 9.56 5.69 0.00 2.64 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 60 A 9.28 5.18 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.52 4.80 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 1.19 0.83 0.90 0.00 0.00 62 A 9.10 5.27 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 63 T 8.12 4.78 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 1.10 0.00 0.00 64 N 7.80 4.28 0.00 2.67 2.91 0.00 0.00 6.82 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 65 Q 7.58 4.10 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.90 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 66 G 7.71 3.91 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 0.00 0.00 0.00 67 V 8.36 3.99 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 0.79 0.00 0.00 0.65 0.00 0.00 68 V 8.36 4.31 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 0.71 0.00 0.00 0.94 0.00 0.00 69 A 7.60 4.75 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 70 D 8.51 5.27 0.00 3.13 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 71 G 9.43 4.44 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 C 8.86 5.29 0.00 2.37 1.18 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 73 F 8.30 5.27 0.00 3.15 3.34 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 0.00 0.00 0.00 0.00 74 T 8.23 4.91 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 1.10 0.00 0.00 75 Y 8.81 4.56 0.00 3.15 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 76 S 8.84 4.87 0.00 3.99 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 77 S 7.76 4.99 0.00 3.82 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 78 K 8.23 2.00 0.00 1.12 1.44 0.00 1.60 0.00 0.00 1.63 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.30 1.02 7.81 79 V 6.99 4.25 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 0.82 0.00 0.00 0.81 0.00 0.00 80 P 0.00 4.18 0.00 1.71 1.62 0.00 3.59 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.85 0.00 81 E 8.88 4.02 0.00 1.88 1.94 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 2.25 2.27 0.00 82 S 7.45 4.46 0.00 3.72 3.56 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.23 3.65 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 1.13 0.00 0.00 84 G 8.06 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 0.00 0.00 0.00 85 R 7.92 5.09 0.00 1.83 1.95 0.00 3.83 0.00 0.00 3.97 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 *87 P 0.00 4.43 0.00 2.04 2.07 0.00 3.63 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 1.91 2.15 0.00 88 F 8.91 4.75 0.00 3.18 2.73 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 89 T 7.59 4.90 4.02 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 1.09 0.00 0.00 90 L 8.79 4.57 0.00 1.74 1.56 0.99 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 91 V 8.46 4.98 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 0.87 0.00 0.00 92 A 9.05 4.71 1.19 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 0.00 0.00 0.00 93 T 8.59 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 1.20 0.00 0.00 94 I 8.57 4.65 1.83 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.69 0.88 0.00 0.00 95 D 8.51 4.86 0.00 2.56 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 96 V 8.99 3.75 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 0.94 0.00 0.00 1.02 0.00 0.00 97 G 8.44 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 0.00 0.00 0.00 0.00 98 S 8.73 4.02 0.00 3.99 4.04 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 99 G 7.96 3.79 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 0.00 0.00 0.00 100 V 7.72 4.18 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 0.83 0.00 0.00 101 T 9.29 4.77 4.32 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 1.23 0.00 0.00 102 F 7.45 5.22 0.00 2.46 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 0.00 103 V 8.40 4.86 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 0.63 0.00 0.00 0.88 0.00 0.00 104 K 9.22 5.00 0.00 2.04 1.97 0.00 1.50 0.00 0.00 1.70 0.00 0.00 3.22 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.80 1.53 7.81 105 G 8.91 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 0.00 0.00 0.00 0.00 106 Q 9.11 5.43 0.00 1.90 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.59 0.00 0.00 0.00 0.00 0.00 2.46 2.31 0.00 107 W 9.59 6.08 0.00 3.08 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 0.00 108 K 8.94 4.68 0.00 1.61 1.53 0.00 0.95 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.49 1.04 7.81 109 S 8.63 4.21 0.00 3.63 3.76 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 0.00 110 V 8.08 3.98 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 0.95 0.00 0.00 0.82 0.00 0.00 111 R 9.49 3.53 0.00 1.99 1.99 0.00 3.50 0.00 0.00 3.29 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 112 G 8.21 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 0.00 113 S 7.72 4.30 0.00 3.86 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 0.00 114 A 8.17 4.71 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 *116 H 8.51 4.74 0.00 2.25 2.79 0.00 5.56 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 I 8.70 4.96 2.00 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.45 0.98 0.00 0.00 118 D 8.84 4.96 0.00 2.85 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 0.00 119 S 7.86 4.83 0.00 3.96 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 0.00 120 Y 8.82 4.47 0.00 3.01 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 0.00 121 A 8.22 4.79 1.10 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 0.00 122 S 9.00 4.87 0.00 3.84 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 0.00 123 L 9.07 5.19 0.00 1.66 1.48 0.95 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 124 S 9.19 5.34 0.00 3.76 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 0.00 125 A 8.93 5.78 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 0.00 126 I 8.32 4.82 1.88 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 1.26 0.76 0.95 0.00 0.00 127 W 9.01 4.82 0.00 3.31 3.23 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 0.00 128 G 7.69 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00 129 T 7.59 4.41 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 1.04 0.00 0.00 130 A 8.38 3.78 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 *131 A 7.88 4.12 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 * Residues marked with a * may have inaccurate shift predictions.