NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5188 8.3049 118.1952 55.4961 32.6262 173.9347 2 L 4.4524 7.8666 116.4040 52.9787 45.3242 174.5254 3 K 4.1097 8.3778 121.3071 57.5510 33.5830 177.7122 4 T 3.4953 8.6220 109.3998 62.1626 67.7670 171.6952 5 I 4.5833 7.1491 121.2141 59.1799 40.5314 175.2819 6 S 4.1626 8.5368 119.0541 57.9663 62.5854 172.8698 7 P 4.5947 0.0000 0.0000 63.8582 31.5271 176.9936 8 L 4.1039 7.6744 118.8422 56.5582 41.8835 176.8189 9 I 4.2189 7.2598 120.4047 59.7299 37.5429 176.5699 10 S 4.3868 8.4545 121.2837 57.3612 65.0494 173.1176 11 P 4.2055 0.0000 0.0000 66.3575 30.7411 178.2963 12 E 3.9433 8.1142 118.4496 58.9356 29.6309 178.3734 13 L 3.9914 7.7841 120.5595 57.7944 42.2445 178.6345 14 L 4.0455 8.1678 120.8665 57.8002 41.9703 178.9588 15 K 3.9518 8.1766 119.7527 59.3678 32.2076 178.9215 16 V 3.7058 7.9770 118.6086 66.1567 31.2566 177.8661 17 L 4.0267 8.1480 117.3699 57.9499 41.5683 179.2017 18 A 4.1262 7.7340 119.1813 55.1284 18.3508 179.2493 19 E 4.0391 8.1689 116.5057 58.4867 30.0162 177.9523 20 M 3.5454 7.1019 117.8487 55.5281 32.7870 175.8996 21 G 4.2156 9.7698 112.1713 43.4910 0.0000 171.2738 22 H 4.5786 8.5095 119.1578 57.7065 29.9462 175.9696 23 G 3.9598 9.1153 116.5642 45.1289 0.0000 173.4256 24 D 4.6643 7.9588 120.1152 54.4733 42.2092 175.2574 25 E 5.3258 8.8868 120.6838 54.6438 33.2283 174.7037 26 I 4.9708 8.7141 122.8777 59.2664 41.9055 173.7623 27 I 4.8027 8.2367 128.5064 59.5445 40.1558 174.6940 28 F 4.7364 9.1254 125.7685 55.9588 40.7175 175.0357 29 S 5.0515 8.8350 119.8201 56.4594 66.0672 173.5553 30 D 5.1196 9.3825 121.2558 52.4864 40.6330 177.2403 31 A 4.2111 9.0804 121.3651 54.2296 18.2792 178.1316 32 H 4.7469 8.1380 111.3128 55.4241 29.3704 175.2228 33 F 4.3384 8.0362 123.2769 57.4033 40.2754 174.3090 34 P 4.3955 0.0000 0.0000 61.7153 29.9444 176.9420 35 A 4.0592 7.8914 124.7962 56.6185 18.8282 179.5023 36 H 4.4492 8.1176 109.5380 57.1696 28.9154 175.9593 37 S 4.6572 7.4983 112.9521 58.1650 63.7864 175.0557 38 M 4.0016 7.7029 122.6938 58.8334 32.0788 176.5031 39 G 3.4615 8.4006 109.6658 45.0567 0.0000 172.3138 40 P 4.4209 0.0000 0.0000 61.6059 32.4261 175.2062 41 Q 4.0784 8.5470 121.2417 56.5580 30.1023 174.9133 42 V 4.8711 8.3081 124.6491 61.1113 34.5136 174.4906 43 I 4.5519 8.5604 127.9681 59.4823 39.8824 175.1488 44 R 4.5962 8.7196 126.1727 55.2614 31.2352 177.1883 45 A 4.7123 8.5493 124.9808 50.5863 19.8086 177.3311 46 D 4.3774 8.4239 124.7747 57.6753 41.4399 179.4793 47 G 3.9101 8.0389 104.2148 45.5338 0.0000 172.7937 48 L 4.7761 7.7373 119.8597 52.6970 44.7556 175.6124 49 L 4.8313 8.6681 120.3757 53.3760 43.5037 178.4019 50 V 3.4993 8.4461 120.6151 66.2660 31.3274 178.8070 51 S 3.8667 7.9141 113.1743 61.0252 62.8859 176.2119 52 D 4.2354 7.8237 122.9589 57.4250 40.6510 178.6387 53 L 3.9177 7.6374 118.9493 57.4395 41.7520 179.2933 54 L 3.4206 7.6685 119.3354 57.7718 41.3104 179.4490 55 Q 4.1253 7.7586 118.8039 58.3674 29.0296 177.5951 56 A 4.0852 7.5338 120.7486 55.1388 18.6193 179.2982 57 I 3.8906 7.7658 118.1987 63.9126 36.9326 178.1258 58 I 3.6691 7.5618 119.9174 63.4444 37.8362 175.3747 59 P 4.3967 0.0000 0.0000 63.8191 31.6057 176.4208 60 L 4.4014 8.0824 118.6483 55.0015 43.3942 175.9016 61 F 4.4881 7.4865 121.0110 56.1178 39.0568 174.4012 62 E 4.1868 8.1240 130.0098 55.9976 30.6582 175.5346 63 L 4.8743 8.3998 126.2859 53.5667 43.2668 176.0649 64 D 4.5794 8.9969 123.1571 54.9484 41.4802 176.3744 65 S 4.7440 9.1522 118.1611 58.4358 63.6888 173.9075 66 Y 4.3413 8.9391 118.2649 58.5475 38.5941 174.8097 67 A 4.4756 7.6386 120.4121 50.2449 21.9579 173.7521 68 P 4.2658 0.0000 0.0000 63.0680 31.4293 175.0144 69 P 4.7456 0.0000 0.0000 63.4575 33.2555 175.3133 70 L 5.2737 7.8287 120.8168 53.1510 45.6656 175.3810 71 V 4.9817 9.2034 123.9233 61.5294 35.0048 174.3919 72 M 5.2362 9.1728 126.7394 53.8178 36.0774 173.6260 73 M 4.8345 8.2083 118.8453 54.2619 33.5592 175.4687 74 A 4.2705 8.4943 127.9838 51.0706 19.5355 177.3351 75 A 3.0519 8.0927 124.3783 51.6785 19.2852 178.2005 76 V 3.8171 8.2887 115.5841 60.6397 32.3462 175.7569 77 E 3.9205 8.6187 123.6497 58.2782 29.6950 177.1627 78 G 3.9278 9.3342 112.7647 45.7292 0.0000 172.1600 79 D 4.8977 7.7910 116.8671 52.3779 44.5693 174.5098 80 T 4.6146 8.0596 111.5359 59.6729 71.8380 173.5745 81 L 4.2200 8.0661 122.5007 54.0143 43.2031 175.9543 82 D 4.7017 8.2901 119.9635 52.1590 41.1667 174.9630 83 P 4.2142 0.0000 0.0000 66.3308 30.7474 177.8308 84 E 4.0871 8.2590 118.1125 58.8155 29.5070 178.6316 85 V 3.2503 7.5679 118.5003 65.7461 31.6137 177.3910 86 E 3.7309 7.8507 118.3327 59.4603 29.4898 179.0832 87 R 3.9320 7.4291 118.3570 59.2059 30.1232 179.0488 88 R 3.9883 7.8295 118.4564 59.5722 30.0712 178.2356 89 Y 4.2766 8.2796 116.7560 60.9935 37.6103 178.5322 90 R 3.9507 8.0452 118.1346 59.3905 30.3742 178.2823 91 N 4.4397 8.2494 115.9825 56.5911 38.2564 177.3131 92 A 4.0338 8.1603 121.8187 54.6982 18.1377 178.5292 93 L 4.4579 7.5712 115.6681 53.8983 42.3282 176.4479 94 S 4.5923 7.1421 113.7265 56.3599 64.8462 173.5480 *97 A 4.1230 8.2093 125.2158 51.1388 19.4429 174.7559 98 P 4.4274 0.0000 0.0000 62.3557 32.2212 175.7457 99 C 4.2552 8.4237 120.5520 58.2758 31.8200 171.7909 100 P 4.4124 0.0000 0.0000 62.3847 31.5819 175.4961 101 D 4.5608 8.4090 118.8313 54.5039 41.8039 175.0951 102 I 4.9053 8.1238 123.9514 59.4613 39.5251 175.0219 103 I 4.6780 8.3728 118.6737 59.2460 40.6206 174.5928 104 R 5.2851 8.5629 122.5858 54.9517 32.4337 175.6378 105 I 4.8740 8.3592 114.2641 58.9069 41.4890 174.2892 106 N 4.6288 9.0605 121.9525 53.3057 37.9047 175.5715 107 R 3.7586 8.8191 119.0667 59.4467 29.9088 178.6361 108 F 4.1157 8.1555 119.8595 61.3076 39.7277 176.9449 109 A 3.8741 8.1119 119.8874 54.7331 18.1332 179.3240 110 F 4.0011 8.3635 119.5310 61.7975 39.5572 177.1676 111 Y 4.4684 8.3408 116.4800 61.0706 37.3868 178.0264 112 E 3.8208 7.9800 119.7160 59.2215 29.9509 178.7697 113 R 4.0259 7.9048 117.5267 58.7489 30.2530 178.7065 114 A 3.9465 8.1701 121.1373 55.2759 18.1705 179.6525 115 Q 4.5685 8.0202 116.8691 57.5482 28.7624 177.7002 116 K 4.3688 7.4324 116.3279 55.7572 32.7144 176.1572 117 A 4.2773 7.4634 122.3086 51.7351 18.9264 177.9752 118 F 4.1920 9.3341 122.5677 61.3110 40.1318 174.9606 119 A 4.6519 7.5931 117.4271 51.3770 22.7271 175.2256 120 I 4.7523 8.4163 119.3726 59.6405 41.1922 175.0181 121 V 4.4574 8.8383 128.8811 61.2135 33.0163 174.1423 122 I 4.7668 8.4889 129.5671 59.7522 38.9947 175.1221 123 T 5.0603 8.6295 120.5354 59.9829 72.0234 174.9391 124 G 4.5710 8.8361 108.9303 45.5437 0.0000 173.9441 125 E 4.1311 8.2725 123.0185 56.4971 29.7896 177.7709 126 R 4.4018 8.5810 124.5739 57.2123 31.0655 176.8858 127 A 4.2175 8.0010 119.9975 51.9293 18.9970 177.0199 128 K 4.2014 8.3955 119.0013 56.9312 33.3559 176.4683 129 Y 3.5384 7.8135 116.6642 59.4136 35.3420 171.5848 130 G 4.1090 8.4832 103.8992 45.5264 0.0000 173.4103 131 N 4.9565 7.8745 117.0654 52.4828 39.6799 174.5418 132 I 5.0501 8.7929 122.4716 59.3968 42.2284 173.1525 133 L 5.1130 9.6527 131.2279 53.4455 44.2453 174.7473 134 L 5.3049 8.8811 126.3679 52.9579 44.6139 175.1884 135 K 5.1440 8.9218 124.3916 54.4245 34.6589 175.1834 136 K 3.9648 9.3263 129.7356 56.1913 33.1167 176.0921 137 G 4.3337 8.2313 115.0195 46.0465 0.0000 173.6240 138 V 4.0871 8.0587 124.8680 60.9529 32.4102 176.2483 139 T 3.8713 8.2898 125.1761 63.0320 68.6917 172.6478 140 P 4.4064 0.0000 0.0000 62.9582 31.6009 176.0021 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 M 8.30 4.52 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.57 0.00 2 L 7.87 4.45 0.00 1.67 1.56 0.92 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 3 K 8.38 4.11 0.00 1.82 1.72 0.00 1.80 0.00 0.00 1.87 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.43 7.81 4 T 8.62 3.50 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 1.21 0.00 0.00 5 I 7.15 4.58 1.88 0.00 0.00 0.87 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 0.83 0.92 0.00 0.00 6 S 8.54 4.16 0.00 3.84 3.73 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 7 P 0.00 4.59 0.00 2.22 2.15 0.00 3.81 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 1.98 1.98 0.00 8 L 7.67 4.10 0.00 1.67 1.75 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 9 I 7.26 4.22 1.99 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 0.51 0.94 0.00 0.00 10 S 8.45 4.39 0.00 4.06 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 11 P 0.00 4.21 0.00 2.29 2.37 0.00 3.71 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 2.08 2.04 0.00 12 E 8.11 3.94 0.00 2.11 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 2.39 2.44 0.00 13 L 7.78 3.99 0.00 1.79 1.82 0.89 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.17 4.05 0.00 1.98 1.85 0.94 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.18 3.95 0.00 1.97 2.01 0.00 1.72 0.00 0.00 1.61 0.00 0.00 3.16 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.47 7.81 16 V 7.98 3.71 2.27 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 1.09 0.00 0.00 1.13 0.00 0.00 17 L 8.15 4.03 0.00 1.67 1.87 0.98 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 18 A 7.73 4.13 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.17 4.04 0.00 2.13 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 0.00 2.40 2.62 0.00 20 M 7.10 3.55 0.00 1.79 2.00 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.25 0.00 21 G 9.77 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 0.00 0.00 0.00 0.00 22 H 8.51 4.58 0.00 2.94 3.09 0.00 5.74 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 23 G 9.12 3.96 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 0.00 0.00 0.00 24 D 7.96 4.66 0.00 2.74 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 25 E 8.89 5.33 0.00 1.90 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 2.32 2.49 0.00 26 I 8.71 4.97 1.82 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 1.63 0.82 0.00 0.00 27 I 8.24 4.80 1.73 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.74 0.76 0.00 0.00 28 F 9.13 4.74 0.00 2.90 2.87 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.83 5.05 0.00 3.63 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 30 D 9.38 5.12 0.00 3.04 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 31 A 9.08 4.21 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 32 H 8.14 4.75 0.00 3.27 3.37 0.00 5.86 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.04 4.34 0.00 3.21 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 34 P 0.00 4.40 0.00 1.87 1.95 0.00 2.73 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 1.35 0.00 35 A 7.89 4.06 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.12 4.45 0.00 3.13 3.33 0.00 5.66 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 S 7.50 4.66 0.00 3.82 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 38 M 7.70 4.00 0.00 2.03 2.21 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.56 0.00 39 G 8.40 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 0.00 0.00 0.00 40 P 0.00 4.42 0.00 2.03 2.26 0.00 3.71 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.13 0.00 41 Q 8.55 4.08 0.00 2.09 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.90 0.00 0.00 0.00 0.00 0.00 2.41 2.35 0.00 42 V 8.31 4.87 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 0.76 0.00 0.00 0.92 0.00 0.00 43 I 8.56 4.55 1.82 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 1.22 1.03 0.91 0.00 0.00 44 R 8.72 4.60 0.00 1.71 2.06 0.00 3.42 0.00 0.00 3.35 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 45 A 8.55 4.71 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 46 D 8.42 4.38 0.00 2.73 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 47 G 8.04 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 48 L 7.74 4.78 0.00 1.73 1.55 0.93 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 49 L 8.67 4.83 0.00 1.89 1.69 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 50 V 8.45 3.50 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 1.02 0.00 0.00 51 S 7.91 3.87 0.00 4.09 4.20 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 52 D 7.82 4.24 0.00 2.89 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 53 L 7.64 3.92 0.00 1.53 1.35 0.96 0.68 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 54 L 7.67 3.42 0.00 1.51 1.44 0.33 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 55 Q 7.76 4.13 0.00 1.96 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.97 0.00 0.00 0.00 0.00 0.00 2.33 2.19 0.00 56 A 7.53 4.09 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 57 I 7.77 3.89 1.72 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 1.41 0.55 0.74 0.00 0.00 58 I 7.56 3.67 1.96 0.00 0.00 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 1.36 1.24 0.94 0.00 0.00 59 P 0.00 4.40 0.00 2.22 2.15 0.00 3.79 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 60 L 8.08 4.40 0.00 1.86 1.80 0.94 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 61 F 7.49 4.49 0.00 3.09 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 62 E 8.12 4.19 0.00 2.05 1.62 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 2.52 2.34 0.00 63 L 8.40 4.87 0.00 1.63 1.66 1.00 1.39 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 64 D 9.00 4.58 0.00 2.86 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 65 S 9.15 4.74 0.00 3.95 3.94 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 66 Y 8.94 4.34 0.00 3.07 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 67 A 7.64 4.48 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 68 P 0.00 4.27 0.00 2.10 2.09 0.00 3.71 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.12 0.00 69 P 0.00 4.75 0.00 2.20 2.64 0.00 3.69 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.11 0.00 70 L 7.83 5.27 0.00 1.63 1.64 0.97 0.83 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 71 V 9.20 4.98 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 1.22 0.00 0.00 1.00 0.00 0.00 72 M 9.17 5.24 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.72 0.00 73 M 8.21 4.83 0.00 2.03 1.30 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 2.39 2.59 0.00 74 A 8.49 4.27 1.21 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 0.00 0.00 75 A 8.09 3.05 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.29 3.82 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 0.97 0.00 0.00 1.05 0.00 0.00 77 E 8.62 3.92 0.00 1.91 1.88 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 2.30 2.32 0.00 78 G 9.33 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 79 D 7.79 4.90 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 80 T 8.06 4.61 4.20 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 1.18 0.00 0.00 81 L 8.07 4.22 0.00 1.54 1.53 0.76 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 82 D 8.29 4.70 0.00 2.76 2.55 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 83 P 0.00 4.21 0.00 2.27 2.29 0.00 3.73 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 2.06 2.02 0.00 84 E 8.26 4.09 0.00 2.03 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 85 V 7.57 3.25 1.85 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 0.23 0.00 0.00 0.91 0.00 0.00 86 E 7.85 3.73 0.00 1.96 1.86 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 2.36 2.40 0.00 87 R 7.43 3.93 0.00 2.03 1.95 0.00 3.16 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 88 R 7.83 3.99 0.00 1.96 2.18 0.00 3.16 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.74 0.00 89 Y 8.28 4.28 0.00 3.17 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 90 R 8.05 3.95 0.00 2.00 2.02 0.00 3.20 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.88 0.00 91 N 8.25 4.44 0.00 2.98 2.90 0.00 0.00 6.98 6.98 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 92 A 8.16 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 93 L 7.57 4.46 0.00 1.65 1.69 0.92 0.84 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 94 S 7.14 4.59 0.00 3.93 3.84 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.21 4.12 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 98 P 0.00 4.43 0.00 2.20 2.07 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 99 C 8.42 4.26 0.00 3.11 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 0.00 100 P 0.00 4.41 0.00 2.12 2.02 0.00 3.77 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 2.07 2.11 0.00 101 D 8.41 4.56 0.00 2.63 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 I 8.12 4.91 2.07 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.81 0.98 0.00 0.00 103 I 8.37 4.68 1.91 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 1.44 0.94 0.95 0.00 0.00 104 R 8.56 5.29 0.00 1.71 1.87 0.00 3.36 0.00 0.00 3.28 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.52 0.00 105 I 8.36 4.87 1.97 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 1.69 0.98 0.99 0.00 0.00 106 N 9.06 4.63 0.00 2.88 3.07 0.00 0.00 5.81 7.66 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 0.00 107 R 8.82 3.76 0.00 1.81 1.86 0.00 2.95 0.00 0.00 2.80 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.21 0.00 108 F 8.16 4.12 0.00 3.10 3.08 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 0.00 109 A 8.11 3.87 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 0.00 110 F 8.36 4.00 0.00 3.38 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 0.00 111 Y 8.34 4.47 0.00 3.18 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 0.00 112 E 7.98 3.82 0.00 1.49 1.85 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 2.21 2.20 0.00 113 R 7.90 4.03 0.00 1.85 1.81 0.00 3.16 0.00 0.00 3.08 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.76 0.00 114 A 8.17 3.95 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 0.00 115 Q 8.02 4.57 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.89 0.00 0.00 0.00 0.00 0.00 2.50 2.48 0.00 116 K 7.43 4.37 0.00 1.70 1.78 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.31 7.81 117 A 7.46 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 0.00 118 F 9.33 4.19 0.00 3.08 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 0.00 119 A 7.59 4.65 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 0.00 120 I 8.42 4.75 1.85 0.00 0.00 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 1.13 0.81 0.96 0.00 0.00 121 V 8.84 4.46 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 1.04 0.00 0.00 0.54 0.00 0.00 122 I 8.49 4.77 1.91 0.00 0.00 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 0.95 2.52 0.92 0.00 0.00 123 T 8.63 5.06 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 1.34 0.00 0.00 124 G 8.84 4.57 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 0.00 0.00 0.00 0.00 125 E 8.27 4.13 0.00 2.22 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 2.51 2.44 0.00 126 R 8.58 4.40 0.00 1.88 2.02 0.00 3.50 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.59 0.00 127 A 8.00 4.22 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 0.00 128 K 8.40 4.20 0.00 1.87 1.68 0.00 1.89 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.45 7.81 129 Y 7.81 3.54 0.00 3.03 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 0.00 130 G 8.48 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 0.00 0.00 0.00 131 N 7.87 4.96 0.00 2.22 2.51 0.00 0.00 6.74 7.45 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 0.00 132 I 8.79 5.05 2.16 0.00 0.00 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 1.24 1.99 0.94 0.00 0.00 133 L 9.65 5.11 0.00 1.55 1.70 0.74 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 134 L 8.88 5.30 0.00 1.69 1.62 0.96 0.11 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 0.00 135 K 8.92 5.14 0.00 1.88 1.73 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.51 7.81 136 K 9.33 3.96 0.00 1.62 1.65 0.00 1.28 0.00 0.00 1.49 0.00 0.00 2.59 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.97 0.21 7.81 137 G 8.23 4.33 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 0.00 138 V 8.06 4.09 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.53 0.00 0.00 139 T 8.29 3.87 4.17 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 1.16 0.00 0.00 140 P 0.00 4.41 0.00 2.16 2.01 0.00 3.75 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 * Residues marked with a * may have inaccurate shift predictions.