NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.6272 0.0000 0.0000 62.3376 32.8366 174.9354 2 I 4.5312 8.5368 123.8766 59.7271 38.7464 173.7006 3 M 4.2657 8.9315 124.8891 57.1311 35.3042 176.2138 *10 E 4.1707 7.8735 116.8879 56.3678 31.4577 176.2310 11 Y 4.8990 8.4978 127.1355 56.3551 40.4034 173.9928 12 E 4.4810 7.8606 124.8036 53.5926 33.2128 174.2094 13 P 4.2136 0.0000 0.0000 61.1940 32.2001 176.5041 14 V 3.4663 7.9565 120.4563 62.9864 32.0531 176.9194 15 G 3.9130 8.4628 113.6929 43.5420 0.0000 172.7639 16 P 4.4526 0.0000 0.0000 65.4804 31.2754 179.0052 17 G 3.6540 8.0809 105.1201 47.7956 0.0000 175.3046 18 L 4.1722 7.9306 122.8247 57.5718 42.2307 178.7161 19 I 3.8712 8.0096 119.7170 64.5244 37.1309 178.2114 20 A 4.0754 8.4301 121.4857 55.1542 18.1849 179.5909 21 A 4.0158 8.3027 119.3756 54.8706 18.3967 179.6416 22 W 4.4554 8.8695 127.3463 60.8514 30.8394 178.1673 23 L 3.7558 8.1949 118.8928 57.5752 41.0339 179.4635 24 K 3.8280 8.1061 119.5161 59.3930 32.2655 178.5643 25 Q 3.7300 7.9057 119.8078 59.1385 28.9072 178.5614 26 V 3.2184 7.3044 119.2698 65.7843 31.2610 177.7172 27 Q 3.8449 7.9434 118.5404 59.2827 29.0036 177.7943 28 E 4.0641 7.9550 117.8445 58.3041 29.6706 177.1927 29 H 4.6659 8.1029 112.5231 54.2677 31.1112 174.6768 30 G 3.9717 8.3123 106.4513 45.0234 0.0000 174.3511 31 L 3.7906 8.0115 123.4291 57.3443 42.1723 178.1644 32 T 4.5208 7.7642 105.3229 61.3061 69.3222 174.1868 33 H 4.1973 7.7973 122.1923 56.0303 31.5899 174.0764 34 P 4.2533 0.0000 0.0000 65.9383 31.1535 178.8597 35 A 4.0834 8.3023 118.9776 55.4026 18.3336 179.7043 36 T 3.9647 7.8687 113.9528 66.7379 68.5147 176.9472 37 I 3.9397 8.1151 121.8718 64.7585 37.1641 178.5464 38 T 3.9309 8.2414 116.6763 66.7966 68.2709 176.0194 39 Y 4.1050 8.4407 121.4701 60.6895 38.8933 177.6982 40 F 3.9962 9.2068 122.2132 61.2974 39.2466 177.1236 41 G 3.5954 8.2429 104.2190 47.8785 0.0000 175.5186 42 V 3.5831 7.6139 120.8594 65.5682 31.4094 178.2301 43 I 3.3237 7.0847 111.4306 62.8774 37.6212 177.2733 44 S 2.9629 6.8100 114.5151 57.9537 62.9025 175.7566 45 I 3.4883 6.6477 124.2178 64.2905 37.0711 176.6277 46 N 4.9222 7.8675 115.4804 52.5162 37.6125 173.9521 47 F 5.1410 7.9786 117.6877 57.4344 40.3182 176.6516 48 T 4.3654 8.7066 115.4870 61.1077 70.7606 176.2059 49 S 4.4082 8.3986 116.6028 61.6607 62.7036 177.0902 50 V 3.6141 7.6083 120.6439 65.9288 31.1588 177.6343 51 D 4.1148 8.0731 118.6388 57.3543 40.5938 178.7802 52 I 3.9658 7.8798 120.2381 64.7165 37.1767 178.3190 53 N 4.4938 8.5042 117.2370 56.1900 38.4094 177.0074 54 M 3.9876 7.9904 119.8702 58.7913 32.0853 178.3234 55 L 4.0002 7.4415 117.3450 57.7636 41.9098 179.2238 56 L 4.3000 8.0376 118.8494 58.1042 41.3938 179.4604 57 N 4.4592 8.6275 115.4095 56.1218 38.5510 177.3263 58 V 4.0422 7.7209 111.7118 61.8986 32.0481 176.7214 59 T 4.0634 7.3467 116.8415 62.6358 68.6679 172.5556 60 P 4.3174 0.0000 0.0000 62.4516 31.9613 176.4479 61 G 3.5224 8.5046 110.9765 45.8190 0.0000 172.9848 *64 A 4.4132 8.6942 127.0893 52.0848 20.5653 178.6452 65 E 4.0155 7.9712 113.7243 59.0159 29.5702 179.0624 66 K 3.9039 7.9865 120.5431 59.5555 32.2870 178.2877 67 Q 3.9768 8.0640 119.2991 59.1959 28.9938 178.0885 68 L 3.9693 7.7327 120.1730 57.6804 41.6386 179.6705 69 V 3.5741 7.9855 118.2465 66.0728 31.4273 178.0828 70 I 3.7485 7.9282 119.5994 64.6039 36.8508 178.1526 71 D 4.3568 8.4142 119.8827 57.3374 40.6462 179.0450 72 K 3.9574 8.1532 119.0437 59.4030 31.9607 179.5379 73 I 3.7248 7.8435 120.2513 64.1116 36.9475 178.2394 74 K 3.9097 8.3134 120.7183 59.7147 32.0195 178.6867 75 E 3.9169 8.3470 118.9743 59.2871 29.2551 179.4928 76 K 3.6376 7.9639 118.3388 59.1599 31.8657 179.2883 77 A 3.9472 7.8468 121.1316 55.0228 18.2846 179.7314 78 I 3.6577 8.0157 118.3355 64.5720 37.2174 178.5471 79 A 4.1512 8.0446 121.5539 54.7144 18.1565 179.3608 80 W 4.1281 8.4619 127.1393 61.0544 30.6863 178.0719 81 D 4.5811 8.4821 117.3835 57.3907 40.2827 178.3807 82 E 4.1051 8.2222 118.6321 59.3377 29.5304 178.5936 83 M 4.1455 7.5346 116.4954 56.2587 33.4479 176.0010 84 H 4.8158 7.4858 115.2332 53.6658 29.3333 171.9275 85 P 4.4289 0.0000 0.0000 61.9134 32.4104 175.2375 86 P 4.6000 0.0000 0.0000 61.3810 32.4069 174.2559 87 P 4.4108 0.0000 0.0000 61.8284 32.0787 174.9123 88 P 4.4279 0.0000 0.0000 61.6845 32.0570 175.8114 89 A 4.0640 8.2900 122.1207 54.6250 18.3352 178.0091 90 D 4.7653 9.0662 121.1186 53.8864 39.0558 174.2937 91 A 4.5608 7.3476 121.4038 49.9052 20.3801 177.0131 92 A 4.1068 8.4868 125.5168 52.0877 19.2310 178.9182 93 G 3.9267 8.2364 109.9723 44.2746 0.0000 171.3593 94 P 4.4246 0.0000 0.0000 62.2920 32.1262 176.0569 95 V 3.8565 8.1394 121.0468 61.5993 32.1915 174.0910 96 P 4.5245 0.0000 0.0000 61.9505 31.9574 175.6215 97 L 4.2539 8.5753 121.4131 55.5737 42.4919 176.8708 98 T 4.9768 8.5571 116.5165 60.1728 72.3712 175.8386 99 S 4.1891 9.3751 117.7980 61.4750 63.0846 176.4087 100 D 4.2871 8.1092 122.4677 56.1561 39.2566 178.5408 101 Q 3.7602 7.5749 119.3910 58.8733 28.5458 178.4351 102 I 3.3353 7.1942 119.5015 64.2124 37.1232 178.0239 103 R 2.5526 7.5720 116.1496 55.4958 30.3741 177.4567 104 G 3.5545 7.4724 107.3369 45.6839 0.0000 173.3935 105 I 3.8470 7.3567 121.1769 62.1872 37.2250 176.8011 106 G 3.8777 8.8412 113.2311 45.2957 0.0000 172.9062 107 L 4.2710 7.1739 119.7815 53.2603 42.7265 177.6112 108 S 4.2121 8.3660 118.7146 57.6061 64.7459 173.5478 109 P 3.9036 0.0000 0.0000 66.6309 31.3752 179.1633 110 E 3.8159 7.7674 116.1878 60.9749 29.8712 180.4265 111 E 4.1192 8.0841 120.5124 59.1397 29.4377 178.7576 112 A 3.8595 7.9260 119.2768 53.9288 18.4838 178.3410 113 A 4.4961 7.3501 117.4505 51.4142 19.7631 177.5386 114 G 3.9120 7.3950 107.4494 43.8794 0.0000 173.4471 115 P 4.2936 0.0000 0.0000 65.2609 31.4482 179.4211 116 R 3.7361 7.8013 116.0589 58.1372 30.1273 177.1951 117 F 4.8373 7.7961 115.4457 56.9939 39.8126 177.2847 118 A 3.9812 7.8753 123.9657 55.6840 18.1209 180.4666 119 D 4.2892 8.0392 116.5602 57.1131 40.9071 178.7036 120 A 3.7826 7.9215 121.1978 55.2155 18.5393 179.7920 121 R 4.0088 8.1743 115.9304 58.7980 29.6048 179.1820 122 T 3.8162 7.6545 116.6156 66.4280 68.3681 176.2813 123 L 3.8088 7.8800 122.3036 58.1509 42.0029 178.3156 124 Y 3.7677 7.7298 119.4745 60.5708 38.6032 177.8941 125 R 3.8585 8.0266 119.5695 59.8540 30.0414 178.5753 126 T 3.9216 7.7549 114.8527 66.4772 68.3787 176.5232 127 W 4.4146 8.4883 121.1912 59.9409 29.0073 178.8256 128 V 3.4706 7.9637 118.0746 65.8405 30.9779 177.9127 129 L 4.0094 8.2137 118.9877 58.0516 41.4369 179.5000 130 E 3.9886 8.5508 118.2386 59.3305 29.1918 179.1861 131 A 3.9907 8.0651 119.9846 55.1240 18.5776 179.4076 132 L 4.0500 8.1225 117.6310 58.0200 41.8565 179.5405 133 Q 3.9831 8.1912 119.4643 59.2799 28.8046 178.0955 134 E 4.1248 8.5264 118.6242 58.4740 29.5159 177.9376 135 C 4.5974 7.2561 114.8296 58.2397 28.9503 173.4484 136 Q 4.0245 7.5130 125.4846 56.6385 29.2510 176.7845 137 R 4.2392 8.4978 122.3018 56.3674 29.6431 173.3183 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 4.63 0.00 2.05 2.08 0.00 3.38 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.13 0.00 2 I 8.54 4.53 1.93 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.81 0.96 0.00 0.00 3 M 8.93 4.27 0.00 1.96 2.04 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.53 0.00 *10 E 7.87 4.17 0.00 1.68 1.91 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 2.21 1.89 0.00 11 Y 8.50 4.90 0.00 3.06 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 12 E 7.86 4.48 0.00 1.54 1.56 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 2.11 2.10 0.00 13 P 0.00 4.21 0.00 1.96 1.97 0.00 3.57 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.04 0.00 14 V 7.96 3.47 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 0.80 0.00 0.00 0.42 0.00 0.00 15 G 8.46 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 16 P 0.00 4.45 0.00 2.30 2.34 0.00 3.71 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.04 0.00 17 G 8.08 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 0.00 0.00 0.00 18 L 7.93 4.17 0.00 1.85 1.76 1.02 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 19 I 8.01 3.87 2.10 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 1.54 0.94 1.03 0.00 0.00 20 A 8.43 4.08 1.42 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 0.00 0.00 21 A 8.30 4.02 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.87 4.46 0.00 3.62 3.50 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 23 L 8.19 3.76 0.00 1.94 1.68 0.99 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.11 3.83 0.00 1.90 1.91 0.00 1.61 0.00 0.00 1.53 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.38 7.81 25 Q 7.91 3.73 0.00 1.70 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.59 0.00 0.00 0.00 0.00 0.00 2.01 2.11 0.00 26 V 7.30 3.22 1.58 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 0.74 0.00 0.00 -0.29 0.00 0.00 27 Q 7.94 3.84 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.79 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 28 E 7.96 4.06 0.00 1.72 1.66 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 2.21 2.40 0.00 29 H 8.10 4.67 0.00 3.06 2.97 0.00 5.61 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 30 G 8.31 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 0.00 0.00 0.00 31 L 8.01 3.79 0.00 1.50 1.85 1.08 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 32 T 7.76 4.52 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 1.26 0.00 0.00 33 H 7.80 4.20 0.00 3.41 3.18 0.00 5.60 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 P 0.00 4.25 0.00 2.16 2.09 0.00 3.01 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.10 0.00 35 A 8.30 4.08 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 36 T 7.87 3.96 4.43 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 1.16 0.00 0.00 37 I 8.12 3.94 2.10 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 1.60 0.98 1.00 0.00 0.00 38 T 8.24 3.93 4.50 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 1.27 0.00 0.00 39 Y 8.44 4.11 0.00 3.25 3.36 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 40 F 9.21 4.00 0.00 3.41 3.36 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 41 G 8.24 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 0.00 0.00 0.00 42 V 7.61 3.58 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 0.88 0.00 0.00 0.87 0.00 0.00 43 I 7.08 3.32 1.30 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 -0.23 0.09 0.00 0.00 44 S 6.81 2.96 0.00 3.44 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 45 I 6.65 3.49 1.71 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.60 0.84 0.00 0.00 46 N 7.87 4.92 0.00 3.04 3.00 0.00 0.00 6.20 8.12 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 47 F 7.98 5.14 0.00 2.89 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 48 T 8.71 4.37 4.28 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 1.31 0.00 0.00 49 S 8.40 4.41 0.00 3.67 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 50 V 7.61 3.61 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 1.00 0.00 0.00 0.80 0.00 0.00 51 D 8.07 4.11 0.00 2.61 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 52 I 7.88 3.97 2.27 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 1.69 1.27 0.99 0.00 0.00 53 N 8.50 4.49 0.00 2.93 2.92 0.00 0.00 6.67 7.10 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 54 M 7.99 3.99 0.00 2.29 2.04 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.61 0.00 55 L 7.44 4.00 0.00 1.63 0.97 0.61 1.20 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 56 L 8.04 4.30 0.00 1.91 1.79 0.94 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 57 N 8.63 4.46 0.00 2.74 2.93 0.00 0.00 7.13 7.62 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 58 V 7.72 4.04 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 0.86 0.00 0.00 1.25 0.00 0.00 59 T 7.35 4.06 4.53 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 1.26 0.00 0.00 60 P 0.00 4.32 0.00 2.03 2.00 0.00 3.67 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 2.01 2.11 0.00 61 G 8.50 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *64 A 8.69 4.41 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 65 E 7.97 4.02 0.00 2.20 2.22 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 2.35 2.36 0.00 66 K 7.99 3.90 0.00 1.86 1.86 0.00 2.03 0.00 0.00 1.78 0.00 0.00 2.94 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.54 1.55 7.81 67 Q 8.06 3.98 0.00 2.21 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.68 0.00 0.00 0.00 0.00 0.00 2.43 2.52 0.00 68 L 7.73 3.97 0.00 1.83 1.70 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 69 V 7.99 3.57 2.22 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 1.00 0.00 0.00 0.96 0.00 0.00 70 I 7.93 3.75 2.04 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 1.85 0.77 0.95 0.00 0.00 71 D 8.41 4.36 0.00 2.86 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 72 K 8.15 3.96 0.00 1.93 1.82 0.00 1.87 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.60 1.61 7.81 73 I 7.84 3.72 2.10 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 1.47 0.74 1.23 0.00 0.00 74 K 8.31 3.91 0.00 1.83 2.04 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.51 7.81 75 E 8.35 3.92 0.00 2.14 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 2.30 2.46 0.00 76 K 7.96 3.64 0.00 1.24 0.74 0.00 1.48 0.00 0.00 1.29 0.00 0.00 2.87 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.13 1.37 7.81 77 A 7.85 3.95 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 78 I 8.02 3.66 2.01 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 1.47 0.82 0.92 0.00 0.00 79 A 8.04 4.15 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 80 W 8.46 4.13 0.00 3.79 3.48 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 81 D 8.48 4.58 0.00 2.80 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 82 E 8.22 4.11 0.00 2.08 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 2.35 2.53 0.00 83 M 7.53 4.15 0.00 1.61 1.90 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.77 0.00 84 H 7.49 4.82 0.00 2.89 3.12 0.00 5.85 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 85 P 0.00 4.43 0.00 2.17 2.04 0.00 3.76 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.91 0.00 86 P 0.00 4.60 0.00 2.23 2.14 0.00 3.79 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 2.01 2.02 0.00 87 P 0.00 4.41 0.00 2.07 2.03 0.00 3.70 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 2.04 2.12 0.00 88 P 0.00 4.43 0.00 2.18 1.97 0.00 3.63 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 89 A 8.29 4.06 1.25 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 0.00 0.00 0.00 90 D 9.07 4.77 0.00 2.83 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 91 A 7.35 4.56 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 92 A 8.49 4.11 1.25 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 0.00 0.00 0.00 93 G 8.24 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 0.00 0.00 0.00 94 P 0.00 4.42 0.00 2.20 2.06 0.00 3.77 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 95 V 8.14 3.86 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 0.89 0.00 0.00 0.95 0.00 0.00 96 P 0.00 4.52 0.00 2.33 2.11 0.00 3.87 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 2.25 0.00 97 L 8.58 4.25 0.00 1.75 1.98 1.01 0.82 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 98 T 8.56 4.98 4.37 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 1.36 0.00 0.00 99 S 9.38 4.19 0.00 4.41 4.64 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 0.00 100 D 8.11 4.29 0.00 2.85 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 0.00 101 Q 7.57 3.76 0.00 2.16 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.81 0.00 0.00 0.00 0.00 0.00 2.45 2.44 0.00 102 I 7.19 3.34 1.38 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.11 -0.36 0.00 0.00 103 R 7.57 2.55 0.00 1.65 1.65 0.00 3.44 0.00 0.00 3.28 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.66 0.00 104 G 7.47 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.36 3.85 1.79 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.80 0.87 0.00 0.00 106 G 8.84 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 0.00 107 L 7.17 4.27 0.00 1.47 1.31 -0.24 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 108 S 8.37 4.21 0.00 3.92 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 0.00 109 P 0.00 3.90 0.00 1.88 2.05 0.00 3.59 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.11 0.00 110 E 7.77 3.82 0.00 1.97 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 2.31 1.93 0.00 111 E 8.08 4.12 0.00 1.99 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 2.44 2.42 0.00 112 A 7.93 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 A 7.35 4.50 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 0.00 114 G 7.39 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 0.00 115 P 0.00 4.29 0.00 2.13 2.08 0.00 3.57 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 2.08 2.10 0.00 116 R 7.80 3.74 0.00 1.02 1.08 0.00 3.02 0.00 0.00 3.07 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.46 0.00 117 F 7.80 4.84 0.00 3.05 2.88 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 0.00 118 A 7.88 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 0.00 119 D 8.04 4.29 0.00 2.67 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 0.00 120 A 7.92 3.78 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 0.00 121 R 8.17 4.01 0.00 2.07 2.19 0.00 3.25 0.00 0.00 3.44 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.54 0.00 122 T 7.65 3.82 4.37 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 1.19 0.00 0.00 123 L 7.88 3.81 0.00 1.52 1.37 0.99 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 124 Y 7.73 3.77 0.00 2.89 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 0.00 125 R 8.03 3.86 0.00 1.89 2.06 0.00 3.16 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 126 T 7.75 3.92 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 1.34 0.00 0.00 127 W 8.49 4.41 0.00 3.52 3.21 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 0.00 128 V 7.96 3.47 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 0.50 0.00 0.00 0.44 0.00 0.00 129 L 8.21 4.01 0.00 1.95 1.79 0.98 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 130 E 8.55 3.99 0.00 2.26 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 0.00 2.38 2.56 0.00 131 A 8.07 3.99 1.34 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 0.00 0.00 132 L 8.12 4.05 0.00 1.84 1.73 0.59 1.01 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 0.00 133 Q 8.19 3.98 0.00 2.19 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 134 E 8.53 4.12 0.00 2.08 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 2.34 2.50 0.00 135 C 7.26 4.60 0.00 2.87 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 0.00 136 Q 7.51 4.02 0.00 2.09 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 137 R 8.50 4.24 0.00 1.86 1.67 0.00 3.35 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 1.49 1.18 0.00 * Residues marked with a * may have inaccurate shift predictions.