NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.4023 8.2649 123.6047 51.7837 20.7030 176.5677 3 D 5.0246 7.8345 115.3590 50.9133 43.3863 173.7655 4 R 4.6504 9.0834 118.7900 54.5717 33.7763 173.7381 5 I 4.4492 8.5658 120.1742 59.4465 40.5936 174.4189 6 E 4.8451 8.7102 125.9458 54.5098 31.7157 175.3207 7 L 4.5954 9.0486 125.7337 53.0462 44.1743 175.7796 8 R 4.8593 8.5660 122.9618 54.5608 32.7908 176.0614 9 G 3.5627 9.1572 110.1896 46.2470 0.0000 173.8769 10 L 4.3807 7.9745 121.6334 54.2404 43.6949 175.8158 11 T 4.9271 8.5343 123.7993 62.4158 69.5980 174.4059 12 V 4.5836 9.0670 126.8752 61.3131 35.1289 173.7024 13 H 5.4957 8.9845 123.2391 54.3134 30.3351 174.9283 14 G 3.7242 8.8929 110.0569 46.9069 0.0000 173.4291 *26 G 3.8507 7.6501 105.9346 45.7296 0.0000 172.0928 27 Q 4.2740 8.3811 120.8692 55.5199 30.0765 175.3694 28 R 4.1805 8.4611 125.6835 56.2935 31.1761 175.8946 29 F 4.9588 9.3998 121.6254 55.6336 42.7656 174.0729 30 V 4.9098 8.7791 123.0581 61.2007 34.0165 174.2788 31 I 5.1506 8.9212 128.2168 59.6678 40.5991 174.2327 32 D 5.5526 8.9417 125.2851 52.5583 44.9327 175.0898 33 V 4.8696 8.7927 120.7609 61.5766 35.3219 174.1067 34 T 4.8228 9.0686 124.1701 61.6360 71.6234 173.4435 35 V 4.3806 8.4360 125.2095 60.7989 34.5240 174.2579 36 W 4.9164 9.1530 129.0388 56.2537 30.2823 175.5641 37 I 4.1608 7.7644 121.7747 60.4117 41.2523 173.4453 38 D 4.5862 8.9447 129.5798 54.0002 41.4356 176.2020 39 L 4.1064 8.3894 123.7439 54.2945 42.2837 176.9766 40 A 4.3048 8.0894 125.8335 51.4182 19.2608 177.0588 41 E 4.0750 8.5261 118.6178 56.2508 30.4176 178.3219 42 A 3.9281 8.9394 125.7666 55.4216 18.5564 179.5205 43 A 4.1032 8.1047 116.9197 54.8898 18.2880 177.8012 44 N 4.8621 8.2791 110.8388 52.8907 40.0162 174.8427 45 S 4.9280 7.5247 111.5999 56.6034 65.0860 173.8405 46 D 4.7148 8.9331 121.9357 54.6857 41.7591 175.5202 47 D 4.6601 7.7417 117.4483 51.5151 44.6164 175.1808 48 L 3.9958 8.9147 123.3334 58.4556 41.3842 178.7131 49 A 4.8921 9.3815 121.7401 53.8617 17.9623 178.7650 50 D 4.4017 7.8250 116.8385 56.7244 41.1369 178.7996 51 T 4.1876 7.8004 115.3484 64.9888 69.0885 174.0018 52 Y 4.3531 7.8765 121.4919 55.9337 41.5560 173.7441 53 D 4.6812 7.3154 127.1781 52.4155 40.0462 175.7032 54 Y 4.4365 7.4895 123.1916 58.1838 38.5557 177.6976 55 V 3.3985 6.6775 120.6049 66.3376 31.6818 177.9582 56 R 3.9313 7.7743 117.5765 58.7381 29.7360 178.6755 57 L 3.9909 7.7090 120.2037 58.3178 42.0801 179.0390 58 A 4.0389 8.1027 120.5743 55.1525 18.1972 179.6798 59 S 3.9893 7.9298 113.3266 61.7510 62.8945 176.5395 60 R 4.0357 8.5347 122.5999 58.9012 29.7263 178.4284 61 A 3.9265 8.3549 120.3097 54.9343 18.2772 179.4111 62 A 3.9140 7.9861 119.3310 55.2937 18.5894 179.4747 63 E 3.8711 8.4269 117.3892 59.8078 29.3843 179.4779 64 I 3.7389 7.6523 118.3865 64.6466 37.2777 178.3560 65 V 3.5280 7.4647 117.1035 65.7838 31.5264 177.7943 66 A 4.3494 8.1677 119.3121 53.7907 18.3713 177.5741 67 G 3.6814 7.5125 105.7139 44.2844 0.0000 170.6682 68 P 4.0994 0.0000 0.0000 63.2073 30.6257 176.9397 69 P 3.9654 0.0000 0.0000 65.3989 32.1835 177.8316 70 R 4.2658 10.0130 121.3305 57.2392 27.7316 184.6777 71 K 4.5939 7.2908 122.2969 52.8623 32.2603 177.6351 72 L 4.2671 7.5147 123.9495 54.1806 42.7987 178.7096 73 I 3.6983 8.5224 122.6126 63.8109 38.3438 177.4292 74 E 4.2117 8.0656 118.9081 58.4961 30.3527 178.5936 75 T 3.8889 7.7445 115.6558 66.2667 68.3941 176.8094 76 V 3.5876 8.0662 120.5938 65.8304 31.5710 178.1715 77 G 3.6409 7.7410 105.1259 47.8903 0.0000 175.3071 78 A 4.0274 8.2392 124.0951 54.7167 18.3641 179.6103 79 E 3.8746 8.3277 116.9057 59.6381 29.5360 179.2156 80 I 3.6816 7.9521 119.9816 64.6361 37.2072 177.8807 81 A 4.0270 8.3814 121.4185 55.6675 18.0025 179.5270 82 D 4.3135 8.1742 115.9646 57.4966 41.1201 178.2492 83 H 4.2681 8.6143 119.2896 59.3440 29.8551 177.1629 84 V 3.6674 8.1630 120.3178 66.6389 31.1214 177.6533 85 M 4.3023 7.9721 115.6544 57.2325 31.8306 177.8419 86 D 4.6884 8.1876 119.7635 56.0711 41.2728 175.8632 87 D 4.5252 7.7868 119.7602 53.5298 40.6565 176.6181 88 Q 4.2537 8.5975 125.9107 57.6557 28.8015 177.7149 89 R 4.0836 8.5204 117.2739 57.5138 30.5079 176.8352 90 V 3.8921 7.5998 118.9677 62.8274 31.9945 175.4555 91 H 4.6478 9.3127 125.7001 58.7753 29.9365 175.1389 92 A 5.0035 7.7816 116.9457 51.2515 22.4289 175.6237 93 V 5.1800 8.7469 118.2876 60.1581 35.7590 174.0056 94 E 5.1332 9.2457 122.6975 54.6773 32.7570 174.2603 95 V 4.8802 9.1980 127.5800 61.0918 34.3120 173.8240 96 A 5.1393 9.0632 130.6398 50.3112 21.2750 175.1948 97 V 4.7333 8.8405 123.6876 61.5903 34.1109 174.0010 98 H 5.2714 9.4049 127.7284 54.7409 31.0305 174.3820 99 K 4.7447 9.1656 128.2501 52.3420 32.4675 169.9889 100 P 4.6810 0.0000 0.0000 62.7338 31.5187 176.3410 101 Q 4.3522 8.7696 124.0488 54.6915 29.7170 176.1333 102 A 3.9449 8.5858 125.5052 52.2702 18.7857 176.6463 103 P 4.4962 0.0000 0.0000 61.6560 30.0592 174.4562 104 I 4.4050 7.6645 122.4398 57.8354 39.9954 173.5933 105 P 4.5000 0.0000 0.0000 63.4986 31.6708 175.2220 106 Q 3.3861 8.6091 115.3592 57.2133 27.3810 173.3220 107 T 4.6108 7.0197 105.2969 60.0276 70.7308 173.3639 108 F 4.3194 8.5333 120.9454 57.5964 39.5361 176.3469 109 D 4.7709 8.9168 125.3463 57.2734 41.8369 175.9258 110 D 5.1364 7.7678 117.0665 52.6704 44.8196 175.1227 111 V 4.5642 8.4909 123.5455 59.9173 34.6845 174.3016 112 A 5.6326 8.3518 124.6224 49.8605 22.2570 175.3573 113 V 4.3280 8.3893 114.5556 59.6619 34.5409 175.0755 114 V 4.8063 8.2818 123.4251 61.3379 33.7434 174.4555 115 I 4.5927 9.3037 129.9847 59.6835 39.6069 174.9830 116 R 5.2472 8.5286 124.0175 54.6562 33.1981 175.2182 117 R 4.9044 8.8858 120.4325 55.0278 34.9253 174.1759 118 S 4.9465 8.4021 114.4021 57.9890 65.3208 174.3482 119 R 4.0640 8.7284 120.2567 58.9609 30.2717 177.4610 120 R 4.2033 7.8770 120.8163 55.8048 29.2989 177.7724 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 2 A 8.26 4.40 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 3 D 7.83 5.02 0.00 2.71 2.56 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 4 R 9.08 4.65 0.00 0.92 0.88 0.00 2.21 0.00 0.00 2.84 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.27 0.00 5 I 8.57 4.45 1.74 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.57 0.88 0.00 0.00 6 E 8.71 4.85 0.00 1.68 1.74 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 1.95 2.07 0.00 7 L 9.05 4.60 0.00 1.60 1.56 1.07 0.50 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 8 R 8.57 4.86 0.00 1.62 1.78 0.00 3.56 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.50 0.00 9 G 9.16 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 0.00 0.00 0.00 10 L 7.97 4.38 0.00 1.84 1.77 0.96 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 11 T 8.53 4.93 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 1.22 0.00 0.00 12 V 9.07 4.58 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 1.04 0.00 0.00 0.96 0.00 0.00 13 H 8.98 5.50 0.00 3.08 3.28 0.00 5.94 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.89 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 *26 G 7.65 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 27 Q 8.38 4.27 0.00 2.13 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.04 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 28 R 8.46 4.18 0.00 1.61 1.73 0.00 3.16 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.65 0.00 29 F 9.40 4.96 0.00 2.93 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 30 V 8.78 4.91 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 1.04 0.00 0.00 0.92 0.00 0.00 31 I 8.92 5.15 1.92 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 1.30 0.77 0.99 0.00 0.00 32 D 8.94 5.55 0.00 2.60 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 33 V 8.79 4.87 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 0.90 0.00 0.00 0.97 0.00 0.00 34 T 9.07 4.82 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 0.11 0.00 0.00 35 V 8.44 4.38 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 0.41 0.00 0.00 0.49 0.00 0.00 36 W 9.15 4.92 0.00 3.49 3.04 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 37 I 7.76 4.16 1.83 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 1.25 0.72 0.91 0.00 0.00 38 D 8.94 4.59 0.00 2.76 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 39 L 8.39 4.11 0.00 1.66 1.62 0.93 0.83 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 40 A 8.09 4.30 1.27 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 0.00 0.00 0.00 41 E 8.53 4.07 0.00 2.02 1.89 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 2.41 2.26 0.00 42 A 8.94 3.93 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 43 A 8.10 4.10 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 44 N 8.28 4.86 0.00 2.69 2.85 0.00 0.00 6.84 7.79 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 45 S 7.52 4.93 0.00 4.18 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 46 D 8.93 4.71 0.00 2.67 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 47 D 7.74 4.66 0.00 2.71 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 48 L 8.91 4.00 0.00 1.87 1.87 0.99 0.87 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 49 A 9.38 4.89 0.99 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 50 D 7.83 4.40 0.00 2.86 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 51 T 7.80 4.19 4.46 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 0.00 0.00 0.00 1.29 0.00 0.00 52 Y 7.88 4.35 0.00 3.06 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 53 D 7.32 4.68 0.00 2.56 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 0.00 0.00 0.00 0.00 54 Y 7.49 4.44 0.00 3.41 3.42 0.00 0.00 0.00 0.00 0.00 0.00 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 6.68 3.40 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 0.96 0.00 0.00 0.51 0.00 0.00 56 R 7.77 3.93 0.00 1.82 1.91 0.00 3.16 0.00 0.00 3.04 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 57 L 7.71 3.99 0.00 1.90 1.99 1.10 1.60 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 58 A 8.10 4.04 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 0.00 0.00 59 S 7.93 3.99 0.00 3.97 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 60 R 8.53 4.04 0.00 1.89 2.04 0.00 3.11 0.00 0.00 3.17 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.40 0.00 61 A 8.35 3.93 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 62 A 7.99 3.91 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.43 3.87 0.00 1.97 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 0.00 2.32 2.57 0.00 64 I 7.65 3.74 2.04 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 1.37 0.50 0.83 0.00 0.00 65 V 7.46 3.53 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 0.46 0.00 0.00 0.68 0.00 0.00 66 A 8.17 4.35 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 67 G 7.51 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 68 P 0.00 4.10 0.00 2.18 2.05 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 2.12 2.16 0.00 69 P 0.00 3.97 0.00 2.07 2.07 0.00 3.69 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 2.03 2.15 0.00 70 R 10.01 4.27 0.00 1.84 1.78 0.00 3.22 0.00 0.00 3.26 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.45 0.00 71 K 7.29 4.59 0.00 1.73 1.62 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.25 0.98 7.81 72 L 7.51 4.27 0.00 1.70 1.83 0.93 0.68 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 73 I 8.52 3.70 2.02 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 1.51 1.58 0.95 0.00 0.00 74 E 8.07 4.21 0.00 2.11 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 2.36 2.39 0.00 75 T 7.74 3.89 4.38 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 1.19 0.00 0.00 76 V 8.07 3.59 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 0.98 0.00 0.00 0.69 0.00 0.00 77 G 7.74 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 0.00 0.00 0.00 78 A 8.24 4.03 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 79 E 8.33 3.87 0.00 2.24 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 0.00 2.33 2.34 0.00 80 I 7.95 3.68 1.89 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 1.46 0.76 0.96 0.00 0.00 81 A 8.38 4.03 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 82 D 8.17 4.31 0.00 2.67 2.76 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 83 H 8.61 4.27 0.00 3.23 3.58 0.00 5.81 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 V 8.16 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 0.90 0.00 0.00 1.06 0.00 0.00 85 M 7.97 4.30 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.90 0.00 86 D 8.19 4.69 0.00 2.69 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 87 D 7.79 4.53 0.00 2.69 2.81 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 88 Q 8.60 4.25 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.86 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 89 R 8.52 4.08 0.00 1.89 1.99 0.00 3.19 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 90 V 7.60 3.89 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 0.83 0.00 0.00 0.91 0.00 0.00 91 H 9.31 4.65 0.00 3.18 3.30 0.00 5.70 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 A 7.78 5.00 1.04 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 0.00 0.00 93 V 8.75 5.18 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 0.82 0.00 0.00 1.02 0.00 0.00 94 E 9.25 5.13 0.00 2.36 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 0.00 2.28 2.31 0.00 95 V 9.20 4.88 2.10 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 0.92 0.00 0.00 0.98 0.00 0.00 96 A 9.06 5.14 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 97 V 8.84 4.73 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 1.09 0.00 0.00 0.94 0.00 0.00 98 H 9.40 5.27 0.00 3.25 3.32 0.00 5.64 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 K 9.17 4.74 0.00 1.38 1.71 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.28 1.23 7.81 100 P 0.00 4.68 0.00 2.03 2.09 0.00 3.78 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 1.90 1.96 0.00 101 Q 8.77 4.35 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.80 0.00 0.00 0.00 0.00 0.00 2.61 2.80 0.00 102 A 8.59 3.94 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 P 0.00 4.50 0.00 2.05 2.03 0.00 3.64 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 104 I 7.66 4.40 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 1.44 0.91 0.00 0.00 105 P 0.00 4.50 0.00 2.05 1.96 0.00 3.87 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 106 Q 8.61 3.39 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.20 2.28 0.00 107 T 7.02 4.61 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 1.27 0.00 0.00 108 F 8.53 4.32 0.00 3.16 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 0.00 109 D 8.92 4.77 0.00 2.73 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 0.00 110 D 7.77 5.14 0.00 2.80 2.53 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 0.00 111 V 8.49 4.56 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 0.85 0.00 0.00 0.90 0.00 0.00 112 A 8.35 5.63 1.01 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 0.00 113 V 8.39 4.33 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 0.71 0.00 0.00 0.96 0.00 0.00 114 V 8.28 4.81 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 0.89 0.00 0.00 0.90 0.00 0.00 115 I 9.30 4.59 1.88 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 1.23 0.33 0.92 0.00 0.00 116 R 8.53 5.25 0.00 1.63 1.76 0.00 3.12 0.00 0.00 3.16 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 117 R 8.89 4.90 0.00 1.68 1.74 0.00 3.32 0.00 0.00 3.22 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.72 0.00 118 S 8.40 4.95 0.00 3.80 3.66 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 0.00 119 R 8.73 4.06 0.00 1.97 2.08 0.00 3.21 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 120 R 7.88 4.20 0.00 2.03 1.84 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.18 0.00 * Residues marked with a * may have inaccurate shift predictions.