NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *2 Q 4.2603 8.3449 119.1188 54.5220 30.1311 175.5075 3 V 3.5093 8.0753 113.3655 61.2726 31.3173 174.3309 4 I 4.2608 8.1354 127.7583 59.8421 37.8181 174.4782 5 N 5.1300 8.6168 120.9305 50.4519 38.4246 173.9976 6 T 4.6553 7.5951 109.0510 60.3512 72.2777 174.7615 7 F 4.1291 8.4369 121.9116 61.2096 38.9788 177.9462 8 D 4.5085 8.2784 117.6638 57.2978 40.8375 178.7411 9 G 3.7104 8.1594 106.2135 48.0464 0.0000 175.8935 10 V 3.6670 8.6601 121.7588 65.2855 31.2100 177.5220 11 A 4.0728 8.2027 120.6322 55.8656 18.1402 179.4653 12 D 4.3746 8.9103 117.0330 57.4676 40.8478 178.5857 13 Y 3.7564 8.2069 120.2942 60.4095 38.7664 177.8371 14 L 3.8111 8.1720 120.0517 58.0812 41.5933 179.6988 15 Q 3.6937 7.3315 114.7059 58.2124 28.5795 178.3811 16 T 3.6326 6.5072 115.4519 65.6309 67.7601 176.1031 17 Y 4.2481 7.1954 116.7175 57.0707 38.3580 175.5156 18 H 2.8852 7.1880 116.6206 55.3209 27.0710 174.3708 19 K 4.5247 6.9386 112.0886 56.0647 35.3986 174.9261 20 L 4.0640 8.3629 120.1906 53.7488 41.8732 175.1125 21 P 3.8376 0.0000 0.0000 62.3695 31.7942 176.8857 22 D 4.6739 8.2749 117.4993 55.2954 41.0230 177.1081 23 N 4.5097 7.8932 116.5931 53.4081 37.9458 173.6767 24 Y 5.2616 7.5459 117.0442 56.7923 40.6038 174.7269 25 I 5.0919 8.5129 115.1844 59.4528 41.6967 174.7565 26 T 4.6019 8.9483 114.2777 61.0962 70.3124 175.8452 27 K 4.0113 9.1604 122.4313 59.8427 32.1761 179.9081 28 S 4.2574 8.1394 113.9741 61.4787 62.7845 176.2190 29 E 3.9958 7.8438 121.0472 59.0413 29.5080 178.9034 30 A 4.1644 8.2396 120.8077 55.3866 18.4838 179.6227 31 Q 4.1363 9.0727 116.7540 59.2553 28.5896 179.0991 32 A 4.1836 7.9641 120.1926 54.2076 18.4176 178.5470 33 L 4.5445 7.7271 115.8405 54.4883 42.0160 177.3145 34 G 3.9777 7.9191 107.4995 44.6942 0.0000 173.7956 35 W 4.4230 8.1014 129.7383 57.3118 31.2258 175.2607 36 V 3.7603 8.9627 125.9695 60.5300 32.4360 175.4780 37 A 3.5242 7.5561 131.1840 55.3415 18.1123 179.4503 38 S 4.4884 7.8919 109.2644 60.6041 62.9456 175.0508 39 K 4.3571 7.7711 118.0523 55.1462 32.8728 176.4500 40 G 3.1439 7.3125 106.8098 46.2848 0.0000 173.7470 41 N 4.8149 8.0093 114.0136 52.3232 38.0731 176.1175 42 L 3.9397 8.3775 122.6664 58.9579 41.7421 178.8195 43 A 4.3373 8.0504 118.4018 54.7084 18.3891 178.8723 44 D 4.4393 8.0622 117.4438 57.2043 41.0522 178.4697 45 V 4.1655 7.7823 110.1797 61.5844 33.8739 176.2743 46 A 4.6457 8.3352 121.3324 49.0754 18.7914 173.0091 47 P 4.4499 0.0000 0.0000 63.5349 32.2109 177.8387 48 G 3.8956 8.8593 110.6734 45.3763 0.0000 173.3147 49 K 4.5864 7.5160 118.5246 55.4728 33.9610 176.2581 50 S 4.5684 8.5324 117.3539 56.4799 67.3253 173.6447 51 I 4.3133 7.9441 123.5632 61.4345 37.9152 175.3163 52 G 4.1857 9.2749 112.1665 46.9982 0.0000 173.5979 53 G 4.3804 10.0473 110.8783 44.7605 0.0000 174.2575 54 D 4.7518 8.0197 119.3631 53.7343 42.5803 175.7244 55 I 4.2775 8.3124 121.9376 61.5540 37.8231 175.1786 56 F 4.6484 9.0823 130.2976 56.4446 39.9420 175.2466 57 S 3.8899 8.3015 121.4355 60.3027 62.3548 174.2211 58 N 4.0583 6.3597 116.5602 54.2698 36.8954 176.0076 59 R 3.8268 7.9631 117.1219 58.9651 29.7323 177.4155 60 E 4.3408 8.1858 113.2379 54.7818 29.8113 180.3421 61 G 4.3661 7.7234 105.6221 47.4594 0.0000 175.7082 62 K 4.1099 7.6405 121.2216 58.0382 32.3605 177.7006 63 L 3.8210 7.2649 117.9792 51.4850 42.9050 174.5722 64 P 4.2352 0.0000 0.0000 63.0730 31.4467 176.4709 65 G 4.0900 8.4376 112.2401 44.7315 0.0000 172.5120 66 K 4.2850 7.9338 117.6816 54.9012 35.0256 174.6594 67 S 4.2421 8.6500 121.3674 59.9298 62.5772 174.0841 68 G 3.8277 9.1189 115.7161 44.9216 0.0000 172.1389 69 R 4.3109 7.5611 119.9577 54.5617 31.8882 175.1722 70 T 4.5471 8.6721 123.5547 61.5568 71.3433 173.3602 71 W 5.0218 8.6174 125.3550 55.2755 31.7129 175.3760 72 R 5.2532 8.9076 122.3458 54.2529 34.1252 173.8598 73 E 5.7757 9.2609 117.0333 53.9778 33.4963 174.5643 74 A 4.8905 8.3143 120.1762 50.6271 22.8189 175.2656 75 D 4.9793 9.1578 121.9080 54.3920 41.5749 176.1212 76 I 4.3711 8.1572 122.9990 59.7456 40.4317 174.7808 77 N 4.1241 8.8390 119.8282 54.4763 36.4084 173.6835 78 Y 4.5920 7.7823 118.2249 56.5255 40.3985 175.1062 79 T 3.9713 7.3536 114.7862 62.6566 70.6640 173.6255 80 S 4.1485 6.4005 112.2891 58.4407 65.7920 174.9738 81 G 3.8330 8.4972 107.3497 44.8105 0.0000 173.3410 82 F 4.2325 8.6400 118.1588 57.3544 39.6291 175.4416 83 R 4.3300 8.7014 122.3315 56.3955 30.7577 176.8801 84 N 4.9925 8.5191 118.0159 52.2737 40.1077 174.8611 85 S 4.2901 8.4840 112.7888 58.6632 64.7334 173.0399 86 D 5.3449 8.5125 122.4909 54.0900 42.1866 175.7561 87 R 5.1308 9.1195 121.5449 54.6313 35.2663 173.7679 88 I 5.0249 8.9069 123.4614 59.6991 40.3453 174.0859 89 L 5.5474 10.1049 129.6173 53.1256 44.4616 175.0203 90 Y 5.6909 9.0160 121.5840 55.5126 41.3495 175.4475 91 S 4.2430 8.6352 118.6196 55.6304 64.9924 175.3142 92 S 3.4320 7.8377 114.0602 60.1241 62.7972 174.5927 93 D 4.4738 7.1868 119.2000 52.1967 39.5424 175.9015 94 W 3.7034 6.3005 116.4879 58.4029 27.2289 174.8208 95 L 4.4397 7.7393 117.9232 54.4449 42.3997 176.3945 96 I 5.3343 8.5923 123.7496 59.9935 39.6036 174.3063 97 Y 5.2453 9.8699 125.0252 55.9406 41.7542 174.8890 98 K 5.0002 9.4711 120.1627 55.5889 36.6448 174.9074 99 T 5.0340 8.8998 114.7105 59.3555 70.8246 174.0620 100 T 4.7896 8.4600 116.0176 61.2465 69.6485 173.5600 101 D 4.7012 7.7161 121.8261 53.5087 39.4817 174.8779 102 H 4.1786 8.1086 110.0746 58.5690 26.4939 175.3171 103 Y 3.2006 7.5376 111.7829 59.1734 35.3881 171.4870 104 Q 4.2127 7.6414 121.0795 58.0982 29.0799 176.7822 105 T 4.5583 8.2178 106.8100 59.5639 71.8273 172.4880 106 F 5.9014 8.7376 120.8396 55.0996 42.8916 174.4010 107 T 4.8848 8.4380 110.5395 59.6258 72.3901 172.8883 108 K 3.6562 8.7130 125.7968 56.4455 32.2092 176.3857 109 I 4.4429 8.6744 119.4231 60.8942 39.9071 175.7393 110 R 4.1795 7.5518 124.4574 56.4247 31.1001 174.5366 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 Q 8.34 4.26 0.00 1.81 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.98 0.00 0.00 0.00 0.00 0.00 2.18 2.45 0.00 3 V 8.08 3.51 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 0.70 0.00 0.00 0.86 0.00 0.00 4 I 8.14 4.26 1.73 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 1.47 0.49 0.95 0.00 0.00 5 N 8.62 5.13 0.00 2.72 2.79 0.00 0.00 6.37 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 6 T 7.60 4.66 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 1.21 0.00 0.00 7 F 8.44 4.13 0.00 3.20 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 8 D 8.28 4.51 0.00 2.76 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 9 G 8.16 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 10 V 8.66 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 11 A 8.20 4.07 1.50 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 0.00 0.00 12 D 8.91 4.37 0.00 2.77 2.72 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 13 Y 8.21 3.76 0.00 3.32 3.14 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 0.00 0.00 0.00 14 L 8.17 3.81 0.00 1.91 1.74 0.64 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 7.33 3.69 0.00 1.93 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.85 0.00 0.00 0.00 0.00 0.00 2.48 2.59 0.00 16 T 6.51 3.63 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 0.26 0.00 0.00 17 Y 7.20 4.25 0.00 2.57 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 18 H 7.19 2.89 0.00 3.12 3.25 0.00 5.89 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 6.94 4.52 0.00 1.91 1.84 0.00 1.69 0.00 0.00 1.93 0.00 0.00 3.13 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.53 1.50 7.81 20 L 8.36 4.06 0.00 1.62 1.47 0.72 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 3.84 0.00 2.17 1.18 0.00 3.59 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 1.39 0.00 22 D 8.27 4.67 0.00 2.62 2.69 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 0.00 0.00 0.00 0.00 23 N 7.89 4.51 0.00 2.77 2.87 0.00 0.00 6.12 7.57 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 24 Y 7.55 5.26 0.00 3.12 2.86 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 25 I 8.51 5.09 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 1.18 1.05 0.90 0.00 0.00 26 T 8.95 4.60 4.72 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 1.33 0.00 0.00 27 K 9.16 4.01 0.00 1.99 2.23 0.00 2.20 0.00 0.00 1.94 0.00 0.00 3.26 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.53 1.71 7.81 28 S 8.14 4.26 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 29 E 7.84 4.00 0.00 2.17 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 0.00 2.38 2.37 0.00 30 A 8.24 4.16 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 31 Q 9.07 4.14 0.00 2.29 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.40 2.73 0.00 32 A 7.96 4.18 1.44 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 33 L 7.73 4.54 0.00 1.87 1.74 0.93 0.89 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 34 G 7.92 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 35 W 8.10 4.42 0.00 3.24 3.24 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 36 V 8.96 3.76 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 0.79 0.00 0.00 0.91 0.00 0.00 37 A 7.56 3.52 0.76 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 38 S 7.89 4.49 0.00 3.85 3.99 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 39 K 7.77 4.36 0.00 1.81 1.79 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.31 7.81 40 G 7.31 3.14 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 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.01 4.81 0.00 2.91 3.03 0.00 0.00 5.74 6.67 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 42 L 8.38 3.94 0.00 1.53 1.74 0.35 0.42 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 43 A 8.05 4.34 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 44 D 8.06 4.44 0.00 2.91 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 45 V 7.78 4.17 2.17 0.00 0.00 0.00 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 1.10 0.00 0.00 46 A 8.34 4.65 1.15 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 0.00 0.00 47 P 0.00 4.45 0.00 2.03 2.01 0.00 3.72 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.26 0.00 48 G 8.86 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 49 K 7.52 4.59 0.00 1.61 1.60 0.00 1.61 0.00 0.00 1.77 0.00 0.00 2.67 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.49 7.81 50 S 8.53 4.57 0.00 2.93 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 51 I 7.94 4.31 1.66 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.15 0.85 0.00 0.00 52 G 9.27 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 53 G 10.05 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 0.00 0.00 0.00 0.00 54 D 8.02 4.75 0.00 2.71 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 55 I 8.31 4.28 1.88 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 1.24 0.74 0.95 0.00 0.00 56 F 9.08 4.65 0.00 3.01 3.01 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 57 S 8.30 3.89 0.00 3.64 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 58 N 6.36 4.06 0.00 2.97 2.79 0.00 0.00 6.93 7.65 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 59 R 7.96 3.83 0.00 1.86 1.89 0.00 2.98 0.00 0.00 3.20 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.55 0.00 60 E 8.19 4.34 0.00 1.91 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 2.26 1.86 0.00 61 G 7.72 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 0.00 0.00 0.00 0.00 62 K 7.64 4.11 0.00 1.86 2.11 0.00 1.84 0.00 0.00 2.11 0.00 0.00 3.18 0.00 0.00 3.35 0.00 0.00 0.00 0.00 1.62 1.49 7.81 63 L 7.26 3.82 0.00 0.62 0.13 -0.63 -0.66 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 64 P 0.00 4.24 0.00 2.29 2.13 0.00 2.96 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.09 0.00 65 G 8.44 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 66 K 7.93 4.29 0.00 1.74 1.58 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.79 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.30 1.34 7.81 67 S 8.65 4.24 0.00 3.85 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 68 G 9.12 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 0.00 0.00 0.00 69 R 7.56 4.31 0.00 1.60 1.79 0.00 3.20 0.00 0.00 2.63 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.94 0.00 70 T 8.67 4.55 4.06 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 1.09 0.00 0.00 71 W 8.62 5.02 0.00 3.52 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 72 R 8.91 5.25 0.00 0.67 1.36 0.00 2.98 0.00 0.00 3.38 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.34 0.00 73 E 9.26 5.78 0.00 2.19 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 0.00 2.50 2.23 0.00 74 A 8.31 4.89 0.93 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 75 D 9.16 4.98 0.00 2.72 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 76 I 8.16 4.37 1.19 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.14 -0.29 0.00 0.00 77 N 8.84 4.12 0.00 2.80 2.88 0.00 0.00 6.83 7.34 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 78 Y 7.78 4.59 0.00 2.99 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 79 T 7.35 3.97 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 1.08 0.00 0.00 80 S 6.40 4.15 0.00 3.86 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 81 G 8.50 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 0.00 0.00 0.00 82 F 8.64 4.23 0.00 3.20 3.20 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 0.00 83 R 8.70 4.33 0.00 1.99 1.95 0.00 3.22 0.00 0.00 3.51 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.00 84 N 8.52 4.99 0.00 2.87 2.98 0.00 0.00 5.97 7.64 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 85 S 8.48 4.29 0.00 3.82 4.11 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 86 D 8.51 5.34 0.00 2.98 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 87 R 9.12 5.13 0.00 1.58 1.78 0.00 3.52 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.93 0.00 88 I 8.91 5.02 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 1.47 1.75 1.09 0.00 0.00 89 L 10.10 5.55 0.00 1.38 1.25 1.08 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 90 Y 9.02 5.69 0.00 3.18 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 91 S 8.64 4.24 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 92 S 7.84 3.43 0.00 3.66 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 93 D 7.19 4.47 0.00 2.68 2.58 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 94 W 6.30 3.70 0.00 3.51 3.46 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 0.00 95 L 7.74 4.44 0.00 2.12 2.07 1.21 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 96 I 8.59 5.33 1.99 0.00 0.00 1.17 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 1.12 1.17 0.00 0.00 97 Y 9.87 5.25 0.00 2.79 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 98 K 9.47 5.00 0.00 1.33 1.73 0.00 0.71 0.00 0.00 0.61 0.00 0.00 2.39 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.00 1.15 7.81 99 T 8.90 5.03 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 1.06 0.00 0.00 100 T 8.46 4.79 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 1.16 0.00 0.00 101 D 7.72 4.70 0.00 2.80 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 0.00 102 H 8.11 4.18 0.00 3.41 3.55 0.00 5.98 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 Y 7.54 3.20 0.00 3.23 3.30 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 0.00 104 Q 7.64 4.21 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.65 0.00 0.00 0.00 0.00 0.00 2.41 2.57 0.00 105 T 8.22 4.56 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 1.15 0.00 0.00 106 F 8.74 5.90 0.00 2.86 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 0.00 107 T 8.44 4.88 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 1.22 0.00 0.00 108 K 8.71 3.66 0.00 1.33 1.58 0.00 1.62 0.00 0.00 1.68 0.00 0.00 2.78 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.21 1.05 7.81 109 I 8.67 4.44 1.86 0.00 0.00 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 1.34 0.91 0.79 0.00 0.00 110 R 7.55 4.18 0.00 1.86 1.91 0.00 3.44 0.00 0.00 3.39 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 * Residues marked with a * may have inaccurate shift predictions.