NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.4760 0.0000 0.0000 63.3295 31.9242 175.2612 2 T 4.7619 8.6533 117.9963 61.6548 72.1485 170.1353 3 V 4.8428 9.1419 124.8936 61.4180 36.9491 173.0905 4 E 4.8248 8.8852 124.0393 54.4059 32.2626 174.0607 5 Y 5.8221 8.2512 126.0842 55.8159 40.1328 174.3585 6 L 5.2856 8.6606 122.3232 53.2645 46.6078 174.7787 7 N 5.0702 9.0851 124.3903 53.4749 39.0809 174.8924 8 Y 4.0020 8.7544 128.6134 60.7930 38.8210 177.7071 9 E 3.8785 8.2092 119.7917 59.5267 29.7708 178.7564 10 T 3.8294 7.8195 115.4314 66.3821 68.4589 176.3354 11 L 3.8592 7.6060 121.8135 58.0523 42.0185 178.6732 12 D 4.1811 7.5450 118.6869 57.2436 40.7146 177.7550 13 D 4.3490 8.0658 117.5737 58.0347 41.2501 178.7567 14 Q 4.1281 7.9518 116.4501 56.5560 28.7410 176.5915 15 G 3.8796 8.2003 107.6507 46.5059 0.0000 173.8566 16 W 4.3524 8.2047 121.0300 55.5259 31.1697 175.5325 17 D 4.8517 8.1911 118.7470 53.3414 42.4482 176.6214 18 M 4.2432 8.5611 119.9892 58.4848 32.2936 176.8163 19 D 4.8533 7.7824 112.5499 53.3257 41.1264 175.6171 20 D 4.3594 8.2005 120.4772 57.8417 41.4353 177.1211 21 D 4.6078 8.0347 114.7414 53.7559 41.2100 174.9892 22 D 4.4735 7.7923 115.4408 55.2811 40.3808 174.7355 23 L 4.1340 8.0187 120.6560 58.4253 41.7668 179.2239 24 F 4.6920 8.1229 115.3633 59.6316 38.7828 175.9436 25 E 4.5297 9.4176 118.1939 57.8908 30.7721 177.7860 26 K 3.9456 7.9325 118.4122 58.9085 32.2293 178.3608 27 A 3.4979 7.9410 121.6883 54.7989 17.7983 179.2898 28 A 4.2476 7.0089 117.8743 54.9377 18.4796 178.6976 29 D 4.5280 7.7028 115.2033 55.3998 41.3668 177.8473 30 A 4.2328 8.0865 121.2384 51.6988 18.9789 177.4765 31 G 3.8923 8.1372 104.2076 46.3576 0.0000 174.1989 32 L 4.2025 7.7738 119.9446 54.0743 42.3325 176.5372 33 D 4.5643 8.5546 118.6713 54.5876 41.2166 178.1494 34 G 3.7845 8.7588 112.0385 48.6992 0.0000 174.2088 35 E 4.2480 8.2685 116.6389 57.3354 30.0067 176.1947 36 D 5.0090 8.6981 119.3462 55.3687 43.6739 175.6022 37 Y 5.3953 7.7622 116.7229 53.8425 42.0345 174.6331 38 G 3.9128 5.3800 112.6609 45.9252 0.0000 171.4868 39 T 4.6559 8.0711 117.2898 62.5688 69.3329 174.3697 40 M 4.5508 9.5607 128.8964 54.7368 33.7562 174.5626 41 E 5.0218 8.9297 126.1832 54.9878 31.0081 175.6753 42 V 4.4510 8.2599 123.9843 60.9580 34.6924 175.3977 43 A 4.2834 8.5431 130.3782 50.9022 19.5586 175.7151 44 E 4.1300 8.3969 120.5996 57.7319 29.8042 177.4084 45 G 3.9518 8.9829 114.1849 45.0479 0.0000 172.4818 46 E 4.4152 7.3388 118.9628 54.4018 31.3936 176.1079 47 Y 4.5433 8.0171 121.3728 58.2622 39.6624 176.1454 48 I 3.5076 8.3323 125.5483 64.2134 37.3312 178.0979 49 L 2.6257 7.6484 121.0909 58.0221 41.9488 179.7919 50 E 3.8660 7.7872 117.6192 59.2870 29.5493 178.6444 51 A 3.9924 8.0346 119.4478 55.1401 18.7301 179.2034 52 A 4.4571 8.2088 119.4732 55.1405 18.1420 179.4665 53 E 4.2352 8.1849 117.3502 59.1364 29.4875 178.2737 54 A 3.9350 7.7629 118.4274 53.5732 18.6200 178.2704 55 Q 4.2958 8.7571 115.4891 55.9236 29.9895 175.1887 56 G 3.2488 6.6059 107.4868 44.9891 0.0000 173.6095 57 Y 4.4831 7.2037 118.6162 57.4743 38.7444 174.4319 58 D 5.3153 8.1512 121.1437 51.4474 41.9318 175.4504 59 W 5.3009 8.9014 121.0701 54.0422 33.5327 173.1805 60 P 4.4646 0.0000 0.0000 62.7474 31.6411 175.3658 61 F 5.1638 7.4880 114.3662 56.4995 40.3295 172.9640 62 S 4.6755 8.6278 117.7050 60.4316 66.7869 175.4277 63 C 4.2310 8.2467 114.4693 59.3605 29.9448 174.5756 64 R 3.9519 8.2178 116.0340 56.8380 27.0384 176.2416 65 A 4.4907 7.3417 116.7596 51.0894 20.8281 176.9890 66 G 3.7136 8.2845 103.0099 47.2157 0.0000 174.2345 67 A 4.6763 8.1091 118.7882 51.2454 20.2810 175.8051 68 C 4.7225 7.7339 109.8024 57.3686 32.7523 173.6756 69 A 4.7179 8.3089 120.2220 52.0489 19.4626 177.6038 70 N 4.3064 8.4129 116.8529 57.1231 38.6236 175.6335 71 C 4.9720 8.2733 109.2398 57.3451 30.1865 173.0464 72 A 4.2775 7.9455 123.2332 53.6076 19.3584 177.9949 73 S 4.8181 8.1386 113.5198 57.8421 67.6904 173.3400 74 I 5.4913 8.1980 114.9977 60.0614 38.5347 173.4261 75 V 3.9008 8.8600 122.0993 62.4787 31.4320 177.4746 76 K 4.3277 9.5566 127.5077 57.3791 32.8361 175.5766 77 E 4.5906 8.1663 119.1623 57.5796 32.8941 176.3610 78 G 3.5544 9.8319 109.3332 44.4025 0.0000 171.9244 79 E 4.7909 8.2857 117.4659 54.7917 33.3210 175.3286 80 I 5.0207 8.3208 125.2720 59.5325 41.0295 174.1197 81 D 4.7869 10.0940 125.3804 53.5712 42.8869 175.6430 82 M 5.0543 8.5447 124.8970 53.8660 35.2969 174.0662 83 D 4.8013 8.2561 119.4570 52.1938 41.9440 177.3227 84 M 4.3439 8.2807 117.6534 54.0478 29.4868 174.2765 85 Q 4.5046 7.4702 121.1523 56.0589 32.3072 173.9721 86 Q 4.7027 8.1367 119.4713 55.7497 30.2148 173.1865 87 I 3.9819 7.8075 115.1271 62.1727 38.7951 177.4925 88 L 4.2564 7.6380 119.9715 54.1070 42.5209 175.5831 89 S 4.6402 9.1537 115.6613 56.7525 63.6651 174.6018 90 D 4.1314 8.8707 127.6260 57.0977 38.3905 178.7662 91 E 3.9268 7.8539 118.8651 59.3296 29.5750 178.7359 92 E 3.7278 8.9445 119.3252 58.9461 29.3527 178.8999 93 V 4.0216 7.6186 116.2595 64.3206 31.8377 176.3130 94 E 4.4990 8.0440 117.0582 57.0144 31.3753 175.8417 95 E 4.3812 9.1960 118.9718 56.5837 30.3552 176.2841 96 K 4.5317 7.5856 114.3137 54.8394 34.4590 175.2394 97 D 4.5597 7.9647 117.8863 55.2782 38.2447 173.2222 98 V 4.9959 7.9083 117.5550 62.1012 31.6544 174.9598 99 R 4.6607 8.2115 123.1041 55.3342 35.6203 173.5249 100 L 4.7328 8.4201 119.9686 53.8922 42.2764 178.2266 101 T 4.0316 8.6152 115.9606 63.9352 69.4759 176.8252 102 C 4.1053 8.0008 116.6756 60.1311 29.9998 173.7011 103 I 3.6665 7.3896 112.9134 60.0583 37.9438 174.6564 104 G 4.9407 8.5169 107.2470 44.4994 0.0000 172.8524 105 S 5.2314 8.8509 118.2398 55.2642 66.4947 171.5209 106 P 4.4610 0.0000 0.0000 63.1295 31.4007 175.7803 107 A 4.9206 9.0683 124.3040 51.0291 20.1825 175.7813 108 A 4.5769 7.6822 115.9816 50.0122 22.0870 176.6608 109 D 4.4109 8.7871 117.8947 56.8534 41.4375 175.8549 110 E 5.5671 7.8959 117.9497 53.8827 31.5085 174.6938 111 V 4.5942 8.1367 125.0505 61.2474 35.7272 173.3811 112 K 4.5250 8.6181 126.1067 54.6602 34.8484 175.0665 113 I 5.0991 8.2796 122.0961 60.2204 42.2134 173.0669 114 V 5.2108 8.6785 128.6499 61.9574 33.5822 174.4934 115 Y 4.9097 9.8826 126.6378 55.8393 40.5574 173.9521 116 N 4.0374 8.3182 114.7601 54.5005 36.2517 176.3240 117 A 3.8792 7.4690 123.2374 52.3034 16.5814 178.3216 *119 H 4.7187 7.7969 117.8291 54.3744 31.6615 174.4329 120 L 4.0784 8.0667 120.8066 54.7980 42.5137 177.8281 121 D 4.5218 8.9356 124.6008 57.2863 40.5235 178.2654 122 Y 3.6886 8.0902 119.1783 59.8530 38.6843 176.6511 123 L 4.4329 7.4567 117.2298 56.4688 42.5032 178.2565 124 Q 4.0270 8.0941 119.6612 59.5175 28.5719 178.5875 125 N 4.4241 8.0829 116.1443 56.0224 39.0927 176.4129 126 R 4.0437 8.9866 119.1689 57.3260 30.4168 177.1496 127 V 3.5061 7.0595 118.5901 63.4705 31.9574 175.5690 128 I 3.9710 8.2719 125.2823 61.2220 37.8529 175.0797 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 4.48 0.00 2.12 2.27 0.00 3.60 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 1.97 2.00 0.00 2 T 8.65 4.76 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 1.20 0.00 0.00 3 V 9.14 4.84 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 1.00 0.00 0.00 0.94 0.00 0.00 4 E 8.89 4.82 0.00 1.92 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 2.40 2.10 0.00 5 Y 8.25 5.82 0.00 3.12 3.28 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 6 L 8.66 5.29 0.00 1.52 1.35 -0.13 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 7 N 9.09 5.07 0.00 3.29 2.80 0.00 0.00 6.55 6.92 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 8 Y 8.75 4.00 0.00 3.16 3.09 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 9 E 8.21 3.88 0.00 1.68 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 0.00 2.08 1.82 0.00 10 T 7.82 3.83 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 1.02 0.00 0.00 11 L 7.61 3.86 0.00 1.57 1.51 1.01 1.16 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 12 D 7.54 4.18 0.00 2.54 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.07 4.35 0.00 2.80 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 14 Q 7.95 4.13 0.00 1.92 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.79 5.88 0.00 0.00 0.00 0.00 0.00 2.17 2.25 0.00 15 G 8.20 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 16 W 8.20 4.35 0.00 3.25 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 17 D 8.19 4.85 0.00 2.58 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 18 M 8.56 4.24 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.60 0.00 19 D 7.78 4.85 0.00 2.83 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 20 D 8.20 4.36 0.00 2.76 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 21 D 8.03 4.61 0.00 2.63 2.92 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 0.00 0.00 0.00 22 D 7.79 4.47 0.00 2.94 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 23 L 8.02 4.13 0.00 1.55 1.40 1.03 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 24 F 8.12 4.69 0.00 3.17 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 25 E 9.42 4.53 0.00 2.08 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 2.27 2.47 0.00 26 K 7.93 3.95 0.00 2.03 1.78 0.00 1.84 0.00 0.00 2.09 0.00 0.00 3.43 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.55 1.52 7.81 27 A 7.94 3.50 -0.22 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 28 A 7.01 4.25 1.46 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 0.00 0.00 29 D 7.70 4.53 0.00 2.81 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 30 A 8.09 4.23 1.08 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 0.00 0.00 0.00 0.00 0.00 31 G 8.14 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.77 4.20 0.00 1.61 1.67 0.70 1.02 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 33 D 8.55 4.56 0.00 3.06 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 34 G 8.76 3.78 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 0.00 0.00 0.00 35 E 8.27 4.25 0.00 1.99 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 2.38 2.48 0.00 36 D 8.70 5.01 0.00 2.81 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.76 5.40 0.00 2.77 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 38 G 5.38 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 39 T 8.07 4.66 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 1.27 0.00 0.00 40 M 9.56 4.55 0.00 2.15 2.24 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.78 0.00 41 E 8.93 5.02 0.00 1.94 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 2.41 2.32 0.00 42 V 8.26 4.45 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 0.81 0.00 0.00 0.92 0.00 0.00 43 A 8.54 4.28 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 44 E 8.40 4.13 0.00 2.02 1.81 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 2.34 2.32 0.00 45 G 8.98 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 0.00 0.00 0.00 0.00 46 E 7.34 4.42 0.00 2.09 1.80 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 2.15 2.33 0.00 47 Y 8.02 4.54 0.00 2.99 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 48 I 8.33 3.51 1.78 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 1.36 0.70 0.49 0.00 0.00 49 L 7.65 2.63 0.00 1.38 1.54 0.99 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 50 E 7.79 3.87 0.00 2.18 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 2.35 2.44 0.00 51 A 8.03 3.99 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 52 A 8.21 4.46 1.53 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 0.00 0.00 53 E 8.18 4.24 0.00 2.23 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 0.00 2.29 2.36 0.00 54 A 7.76 3.94 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 55 Q 8.76 4.30 0.00 1.65 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.77 0.00 0.00 0.00 0.00 0.00 2.57 2.54 0.00 56 G 6.61 3.25 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 0.00 57 Y 7.20 4.48 0.00 3.42 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 58 D 8.15 5.32 0.00 2.84 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 59 W 8.90 5.30 0.00 3.37 3.38 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 60 P 0.00 4.46 0.00 2.37 2.11 0.00 4.03 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 1.90 0.00 61 F 7.49 5.16 0.00 3.11 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 62 S 8.63 4.68 0.00 3.82 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 63 C 8.25 4.23 0.00 3.11 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 64 R 8.22 3.95 0.00 1.95 1.96 0.00 3.06 0.00 0.00 3.13 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.90 0.00 65 A 7.34 4.49 1.26 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 0.00 0.00 0.00 0.00 0.00 0.00 66 G 8.28 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 67 A 8.11 4.68 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 68 C 7.73 4.72 0.00 3.02 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 69 A 8.31 4.72 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 70 N 8.41 4.31 0.00 2.72 2.88 0.00 0.00 7.03 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 71 C 8.27 4.97 0.00 3.19 3.17 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 0.00 0.00 0.00 0.00 72 A 7.95 4.28 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 73 S 8.14 4.82 0.00 3.92 4.13 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 74 I 8.20 5.49 2.07 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.49 1.12 0.00 0.00 75 V 8.86 3.90 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 0.81 0.00 0.00 1.08 0.00 0.00 76 K 9.56 4.33 0.00 2.16 1.92 0.00 1.75 0.00 0.00 1.61 0.00 0.00 3.04 0.00 0.00 3.44 0.00 0.00 0.00 0.00 1.58 1.89 7.81 77 E 8.17 4.59 0.00 1.98 1.63 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 2.10 2.14 0.00 78 G 9.83 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 79 E 8.29 4.79 0.00 2.00 1.72 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 2.27 2.34 0.00 80 I 8.32 5.02 1.89 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 1.25 0.81 0.99 0.00 0.00 81 D 10.09 4.79 0.00 2.80 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 82 M 8.54 5.05 0.00 1.91 2.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.58 0.00 83 D 8.26 4.80 0.00 2.81 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 84 M 8.28 4.34 0.00 2.01 2.06 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.53 0.00 85 Q 7.47 4.50 0.00 2.18 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.95 0.00 0.00 0.00 0.00 0.00 2.13 2.22 0.00 86 Q 8.14 4.70 0.00 2.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.86 0.00 0.00 0.00 0.00 0.00 2.23 2.32 0.00 87 I 7.81 3.98 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 1.41 0.59 0.96 0.00 0.00 88 L 7.64 4.26 0.00 1.65 1.63 0.92 0.86 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 89 S 9.15 4.64 0.00 3.84 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 90 D 8.87 4.13 0.00 2.90 2.95 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 0.00 91 E 7.85 3.93 0.00 2.08 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 0.00 2.30 2.35 0.00 92 E 8.94 3.73 0.00 2.16 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 2.21 2.21 0.00 93 V 7.62 4.02 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 0.80 0.00 0.00 0.97 0.00 0.00 94 E 8.04 4.50 0.00 1.98 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 2.21 2.27 0.00 95 E 9.20 4.38 0.00 1.82 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 2.28 2.42 0.00 96 K 7.59 4.53 0.00 1.78 1.78 0.00 1.86 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.34 1.40 7.81 97 D 7.96 4.56 0.00 2.86 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 98 V 7.91 5.00 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 1.01 0.00 0.00 1.02 0.00 0.00 99 R 8.21 4.66 0.00 1.80 1.82 0.00 3.20 0.00 0.00 3.38 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 100 L 8.42 4.73 0.00 1.60 1.60 0.93 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 101 T 8.62 4.03 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 1.22 0.00 0.00 102 C 8.00 4.11 0.00 2.96 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 0.00 103 I 7.39 3.67 1.75 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 1.35 0.55 0.59 0.00 0.00 104 G 8.52 4.94 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 0.00 0.00 0.00 105 S 8.85 5.23 0.00 3.89 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 0.00 106 P 0.00 4.46 0.00 2.09 2.10 0.00 3.70 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 107 A 9.07 4.92 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 0.00 108 A 7.68 4.58 1.20 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 0.00 0.00 109 D 8.79 4.41 0.00 2.61 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 0.00 110 E 7.90 5.57 0.00 1.94 1.80 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 2.14 2.02 0.00 111 V 8.14 4.59 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 1.06 0.00 0.00 0.91 0.00 0.00 112 K 8.62 4.53 0.00 1.34 0.74 0.00 0.83 0.00 0.00 1.25 0.00 0.00 2.60 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.09 1.08 7.81 113 I 8.28 5.10 1.98 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.25 1.19 0.00 0.00 114 V 8.68 5.21 2.33 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 1.08 0.00 0.00 1.24 0.00 0.00 115 Y 9.88 4.91 0.00 2.24 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 0.00 116 N 8.32 4.04 0.00 1.44 2.44 0.00 0.00 6.61 7.91 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 0.00 117 A 7.47 3.88 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 *119 H 7.80 4.72 0.00 3.34 3.69 0.00 5.75 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 L 8.07 4.08 0.00 1.67 1.53 0.66 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 121 D 8.94 4.52 0.00 2.81 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 0.00 122 Y 8.09 3.69 0.00 3.05 2.95 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 0.00 123 L 7.46 4.43 0.00 1.78 1.66 0.87 0.75 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 0.00 124 Q 8.09 4.03 0.00 2.31 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.86 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 125 N 8.08 4.42 0.00 2.70 2.80 0.00 0.00 6.97 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 0.00 126 R 8.99 4.04 0.00 2.09 1.97 0.00 3.40 0.00 0.00 3.14 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.79 0.00 127 V 7.06 3.51 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 0.66 0.00 0.00 0.96 0.00 0.00 128 I 8.27 3.97 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 1.27 0.96 0.90 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.