NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 3.9312 8.0549 114.0457 61.1139 32.9170 174.6743 3 I 4.2279 8.2799 123.7923 58.1059 38.5843 173.8166 4 N 5.0461 8.3225 120.5210 51.7110 40.0489 173.9751 5 T 4.4008 7.6174 110.0712 60.8915 71.6187 175.2031 6 F 4.2916 8.3761 120.9846 61.3818 39.0874 177.8643 7 D 4.5816 8.3804 117.8060 57.2085 40.5852 178.9685 8 G 3.6612 8.1873 106.3914 47.8528 0.0000 176.0336 9 V 3.6690 8.1386 120.8650 65.4277 31.5858 177.7368 10 A 4.0603 8.1942 120.6090 55.6780 18.2181 179.4729 11 D 4.3271 8.3474 117.1325 57.3469 40.8451 178.4725 12 Y 3.9603 7.9723 120.0548 60.6857 38.9179 177.8055 13 L 3.9531 8.3491 120.2984 57.8712 41.4906 179.6147 14 I 3.2402 7.2597 118.3158 64.1813 37.1429 178.2522 15 R 3.5237 7.3163 117.7136 59.2085 30.0275 177.4046 16 Y 4.3149 7.6167 113.4106 56.7508 38.7909 176.5440 17 K 3.4405 8.0896 117.7898 56.4085 30.0625 175.3644 18 R 4.8493 7.5761 113.0173 54.8353 32.0711 174.4670 19 L 4.1910 8.2809 118.5864 53.6442 42.3455 175.2507 20 P 3.6213 0.0000 0.0000 62.1238 31.7199 177.3690 21 N 4.4407 8.3312 116.5437 55.5906 38.5819 175.7797 22 D 4.5626 7.9094 117.0383 53.3911 40.0962 174.8159 23 Y 5.1339 7.4976 118.3585 56.6762 39.6532 175.1575 24 I 4.8727 8.6181 116.3375 59.1392 41.6575 175.0994 25 T 4.6974 8.4097 114.0220 61.1456 70.3530 175.5671 26 K 3.9851 9.5722 122.1039 59.7541 31.9172 179.8801 27 S 4.2074 8.1279 114.0054 61.3926 63.1015 176.0401 28 Q 3.9443 7.8346 121.6467 58.9503 28.7983 178.2219 29 A 4.0383 8.1575 121.6608 55.3327 18.4127 179.7730 30 S 4.4149 8.6553 113.5489 61.9180 62.7482 176.8530 31 A 4.1000 8.1524 122.2645 54.9540 18.1671 179.0863 32 L 4.2593 7.6352 115.7223 55.1806 42.0118 177.5225 33 G 4.0390 7.8806 105.2416 44.7592 0.0000 174.2372 34 W 4.5588 8.3503 131.0666 57.3306 31.4138 175.5612 35 V 3.7376 8.6409 123.9633 59.2843 33.4637 175.8590 36 A 3.7357 7.7564 128.0413 55.1759 18.1308 179.3052 37 S 4.2604 7.8072 107.7530 60.1544 63.4325 174.8518 38 K 4.1194 8.0236 121.6820 56.2172 32.3084 176.5795 39 G 3.0997 7.3484 105.8476 46.4180 0.0000 173.6428 40 D 4.9324 7.9394 115.9326 51.9181 40.2926 177.3307 41 L 3.9128 8.4329 122.9967 58.9834 41.6078 178.7644 42 A 4.1335 8.0797 117.5777 54.4412 18.5342 178.8812 43 E 4.0825 8.3740 117.9484 59.1021 29.4007 179.0974 44 V 4.1425 7.7790 109.8784 61.7578 33.8326 176.1942 45 A 4.6906 8.1591 121.3813 49.1570 18.8895 173.7543 46 P 4.4391 0.0000 0.0000 63.9684 31.9402 177.9636 47 G 3.8623 8.8166 108.6402 45.5499 0.0000 173.0629 48 K 4.7356 7.6880 118.4999 54.8854 34.3028 176.0323 49 S 4.5692 8.4935 118.0464 56.4978 67.1082 173.4518 50 I 4.2985 7.8572 123.1987 61.1891 38.0770 175.2918 51 G 4.2372 9.1405 112.2610 46.8432 0.0000 173.7495 52 G 4.3165 9.6496 109.3834 44.4745 0.0000 173.8534 53 D 4.8195 7.9153 119.4432 53.0236 42.9666 175.9373 54 V 4.1383 8.3501 120.7738 63.2917 31.4645 174.7845 55 F 4.8397 9.1145 130.7244 56.3844 40.6362 176.5883 56 S 4.0327 8.1213 121.1710 59.1773 63.4307 173.9758 57 N 3.8483 6.2584 115.2029 53.9549 37.6426 175.8802 58 R 3.8323 7.2823 114.0655 58.3249 29.4264 177.5598 59 E 3.9805 7.9833 116.7539 56.8680 29.7761 177.1814 60 G 3.8633 7.9411 106.5679 46.5223 0.0000 175.0324 61 R 4.1159 7.9587 118.8991 56.8945 30.6681 176.5925 62 L 3.9796 7.0947 117.8029 51.2865 43.3943 174.6013 63 P 4.3808 0.0000 0.0000 62.9734 31.7771 175.7891 64 S 4.9990 8.4712 115.3883 56.7646 65.6646 173.0084 65 A 4.6195 8.1193 122.9833 50.3274 21.9292 176.0006 66 G 3.7951 8.6905 111.5524 48.0903 0.0000 174.9825 *67 S 3.9699 8.7907 119.2194 58.0636 60.4018 166.9233 68 R 4.0304 7.8486 120.8336 56.9571 30.5397 175.5007 69 T 4.6511 8.2411 121.7293 61.4907 71.8600 173.1449 70 W 5.1478 8.6070 123.5891 55.0877 32.4908 174.8858 71 R 5.1952 8.7437 121.7660 54.2681 34.2395 174.0021 72 E 5.4742 9.0546 117.3313 54.8829 33.5113 174.4803 73 A 5.1045 9.1626 122.0858 50.3699 22.9704 175.3068 74 D 5.0158 9.3060 122.3419 54.4786 40.3465 176.0755 75 I 4.4602 8.3618 122.8322 60.0159 40.6706 175.5473 76 N 4.3167 8.8827 121.1032 54.3816 36.4071 173.8266 77 Y 4.3507 7.2441 119.0545 57.1651 39.7052 174.6671 78 V 3.7909 6.9316 124.2469 63.3376 33.3454 175.1648 79 S 4.1202 6.3774 109.2594 58.9028 65.7535 175.0729 80 G 3.7627 8.4564 107.3293 45.2450 0.0000 173.4342 81 F 4.4542 8.6343 119.0934 57.2279 39.7116 175.4455 82 R 4.3011 8.7157 122.2037 56.5085 30.7273 176.7934 83 N 4.9655 8.4957 117.7915 52.0638 39.9592 174.5077 84 A 4.5986 8.4610 119.8520 52.4324 20.6512 176.2035 85 D 5.3905 8.5231 117.9165 53.5143 42.6214 176.0781 86 R 4.9729 9.0694 121.4557 54.5357 35.2672 173.5911 87 L 5.3691 9.2356 124.4631 53.6222 44.5843 175.1348 88 V 5.1079 9.3939 126.4903 61.2864 33.7690 173.7315 89 Y 5.7639 9.2079 126.0220 55.4641 41.6123 175.0701 90 S 3.9347 8.5681 117.2303 56.3876 65.0349 175.3567 91 S 3.5034 7.7639 115.3804 60.5083 62.6718 174.7944 92 D 4.6348 7.3242 118.6400 52.5405 39.3506 175.9563 93 W 3.8027 6.6819 116.7453 58.4574 27.1046 174.4650 94 L 4.4291 7.9150 118.3948 54.5875 42.0394 176.2026 95 I 5.3968 8.3541 122.3621 60.0396 40.8550 174.0046 96 Y 5.4095 9.9376 124.6370 55.9848 41.9224 174.7518 97 K 5.3354 9.3726 120.0601 55.6620 36.4628 174.9314 98 T 4.8473 8.8771 115.2992 60.6044 70.9415 174.0775 99 T 4.9064 8.7974 115.3453 60.4947 69.5459 173.4740 100 D 4.7262 7.2228 121.4165 54.1436 40.2571 174.6110 101 H 3.3585 8.9869 114.8282 58.5985 28.6001 174.3570 102 Y 3.1297 7.5600 112.1316 58.0987 36.4484 171.0624 103 A 4.1441 7.7661 124.2744 54.7820 18.5832 178.5102 104 T 4.7338 8.3547 103.8819 59.7411 71.7244 173.1011 105 F 5.3301 8.6080 120.2261 56.1949 43.1442 174.3449 106 T 4.7750 8.9077 117.7709 61.6188 71.9073 173.4004 107 R 3.8538 8.6887 127.2527 56.0284 30.2273 175.9747 108 I 4.5023 8.5866 117.8277 60.4601 39.4397 175.7096 109 R 4.1829 7.6815 124.3192 56.5175 31.0600 174.5708 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 V 8.05 3.93 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 0.85 0.00 0.00 3 I 8.28 4.23 1.75 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 1.47 0.66 0.95 0.00 0.00 4 N 8.32 5.05 0.00 2.75 2.84 0.00 0.00 5.93 7.22 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 5 T 7.62 4.40 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 1.21 0.00 0.00 6 F 8.38 4.29 0.00 3.28 3.19 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 7 D 8.38 4.58 0.00 2.84 2.78 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 8 G 8.19 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 0.00 0.00 0.00 9 V 8.14 3.67 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 0.94 0.00 0.00 1.13 0.00 0.00 10 A 8.19 4.06 1.51 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 0.00 0.00 11 D 8.35 4.33 0.00 2.84 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 12 Y 7.97 3.96 0.00 3.31 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 13 L 8.35 3.95 0.00 2.03 1.69 0.74 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 14 I 7.26 3.24 1.85 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 1.66 0.69 0.74 0.00 0.00 15 R 7.32 3.52 0.00 1.53 0.97 0.00 2.92 0.00 0.00 2.49 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 1.19 0.00 16 Y 7.62 4.31 0.00 2.62 2.79 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 17 K 8.09 3.44 0.00 1.86 2.07 0.00 1.13 0.00 0.00 1.47 0.00 0.00 2.80 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.30 0.64 7.81 18 R 7.58 4.85 0.00 2.00 1.99 0.00 3.12 0.00 0.00 3.30 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.89 0.00 19 L 8.28 4.19 0.00 1.66 1.44 0.82 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 3.62 0.00 2.25 1.29 0.00 3.55 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.21 0.00 21 N 8.33 4.44 0.00 2.64 2.84 0.00 0.00 6.88 8.06 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 22 D 7.91 4.56 0.00 2.77 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 23 Y 7.50 5.13 0.00 2.99 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 24 I 8.62 4.87 1.86 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.60 0.89 0.00 0.00 25 T 8.41 4.70 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 1.32 0.00 0.00 26 K 9.57 3.99 0.00 1.92 2.19 0.00 1.81 0.00 0.00 1.94 0.00 0.00 3.11 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.56 1.63 7.81 27 S 8.13 4.21 0.00 4.10 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 28 Q 7.83 3.94 0.00 2.28 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 29 A 8.16 4.04 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 30 S 8.66 4.41 0.00 4.13 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 31 A 8.15 4.10 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 32 L 7.64 4.26 0.00 1.93 1.78 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 33 G 7.88 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 0.00 0.00 0.00 34 W 8.35 4.56 0.00 3.17 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 35 V 8.64 3.74 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 0.70 0.00 0.00 0.78 0.00 0.00 36 A 7.76 3.74 1.07 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 0.00 0.00 37 S 7.81 4.26 0.00 4.03 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 38 K 8.02 4.12 0.00 1.70 2.04 0.00 1.92 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.37 1.37 7.81 39 G 7.35 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 0.00 0.00 0.00 40 D 7.94 4.93 0.00 2.85 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 41 L 8.43 3.91 0.00 1.63 1.73 0.27 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 42 A 8.08 4.13 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 43 E 8.37 4.08 0.00 2.15 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 0.00 2.32 2.34 0.00 44 V 7.78 4.14 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 0.85 0.00 0.00 1.11 0.00 0.00 45 A 8.16 4.69 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 0.00 0.00 46 P 0.00 4.44 0.00 2.16 2.08 0.00 3.83 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 47 G 8.82 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 48 K 7.69 4.74 0.00 1.66 1.60 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.74 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.57 1.49 7.81 49 S 8.49 4.57 0.00 2.72 3.44 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 50 I 7.86 4.30 1.54 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.12 0.81 0.00 0.00 51 G 9.14 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 0.00 0.00 0.00 0.00 52 G 9.65 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 0.00 0.00 0.00 0.00 53 D 7.92 4.82 0.00 2.70 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 54 V 8.35 4.14 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 0.72 0.00 0.00 0.92 0.00 0.00 55 F 9.11 4.84 0.00 3.11 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 56 S 8.12 4.03 0.00 3.86 3.75 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 57 N 6.26 3.85 0.00 2.75 2.78 0.00 0.00 6.79 7.53 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 58 R 7.28 3.83 0.00 1.87 1.93 0.00 3.04 0.00 0.00 3.13 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.48 0.00 59 E 7.98 3.98 0.00 1.96 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 0.00 2.32 2.32 0.00 60 G 7.94 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 61 R 7.96 4.12 0.00 1.95 2.11 0.00 3.31 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 62 L 7.09 3.98 0.00 0.64 0.13 -0.94 -1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 63 P 0.00 4.38 0.00 2.33 2.15 0.00 3.33 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.17 0.00 64 S 8.47 5.00 0.00 4.02 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 65 A 8.12 4.62 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 66 G 8.69 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *67 S 8.79 3.97 0.00 3.82 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 68 R 7.85 4.03 0.00 1.60 1.88 0.00 3.22 0.00 0.00 2.58 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 1.02 0.00 69 T 8.24 4.65 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 1.07 0.00 0.00 70 W 8.61 5.15 0.00 3.54 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 71 R 8.74 5.20 0.00 0.67 1.34 0.00 2.92 0.00 0.00 3.32 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.27 0.00 72 E 9.05 5.47 0.00 2.21 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 0.00 2.49 2.39 0.00 73 A 9.16 5.10 1.05 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 0.00 0.00 0.00 0.00 0.00 0.00 74 D 9.31 5.02 0.00 2.72 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 75 I 8.36 4.46 1.39 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 1.19 0.87 -0.35 0.00 0.00 76 N 8.88 4.32 0.00 2.77 2.86 0.00 0.00 6.90 7.48 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 77 Y 7.24 4.35 0.00 3.11 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 78 V 6.93 3.79 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 0.76 0.00 0.00 0.79 0.00 0.00 79 S 6.38 4.12 0.00 3.85 3.63 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.46 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 0.00 0.00 0.00 81 F 8.63 4.45 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 82 R 8.72 4.30 0.00 1.93 1.91 0.00 2.98 0.00 0.00 3.47 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.59 0.00 83 N 8.50 4.97 0.00 2.86 2.96 0.00 0.00 5.93 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 A 8.46 4.60 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 85 D 8.52 5.39 0.00 2.92 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 86 R 9.07 4.97 0.00 1.73 1.91 0.00 3.45 0.00 0.00 3.18 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.19 0.00 87 L 9.24 5.37 0.00 1.92 1.72 1.36 0.84 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 88 V 9.39 5.11 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 0.40 0.00 0.00 0.73 0.00 0.00 89 Y 9.21 5.76 0.00 3.17 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 90 S 8.57 3.93 0.00 2.72 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.76 3.50 0.00 3.74 3.74 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 92 D 7.32 4.63 0.00 2.75 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 93 W 6.68 3.80 0.00 3.59 3.44 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 94 L 7.91 4.43 0.00 1.87 1.99 1.19 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 95 I 8.35 5.40 2.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.19 1.11 0.00 0.00 96 Y 9.94 5.41 0.00 2.75 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 97 K 9.37 5.34 0.00 1.27 1.75 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.59 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.22 1.11 7.81 98 T 8.88 4.85 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 1.05 0.00 0.00 99 T 8.80 4.91 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 1.25 0.00 0.00 100 D 7.22 4.73 0.00 2.76 2.78 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 0.00 101 H 8.99 3.36 0.00 3.12 3.26 0.00 5.80 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 0.00 102 Y 7.56 3.13 0.00 3.24 3.22 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 0.00 103 A 7.77 4.14 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 0.00 104 T 8.35 4.73 4.22 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 1.19 0.00 0.00 105 F 8.61 5.33 0.00 2.88 3.06 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 0.00 0.00 0.00 0.00 106 T 8.91 4.78 4.21 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 1.19 0.00 0.00 107 R 8.69 3.85 0.00 1.00 1.56 0.00 2.80 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.14 0.00 108 I 8.59 4.50 1.86 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 1.39 0.89 0.83 0.00 0.00 109 R 7.68 4.18 0.00 1.83 1.84 0.00 3.41 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 * Residues marked with a * may have inaccurate shift predictions.