NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.6963 8.1960 123.8688 55.1111 34.0182 174.8662 4 K 4.7776 8.8784 129.9387 53.2184 33.6254 171.1942 5 I 4.9687 9.4433 125.9590 58.4868 39.8212 172.2632 6 L 4.9826 8.7884 129.6180 52.4810 43.2725 172.3295 7 I 4.7418 8.6678 125.4641 58.7733 39.6341 175.0395 8 V 4.4414 8.7741 128.8936 60.9624 32.7479 174.1954 9 E 4.9320 8.2811 127.5544 55.3867 31.8787 175.2944 10 S 4.1592 8.8890 121.9895 61.0277 63.8757 174.1928 11 D 4.4619 8.6978 121.4309 54.2611 40.5039 176.4195 12 T 3.9256 8.3303 118.5019 64.1885 69.1152 176.3767 13 A 3.9354 7.9749 123.3553 54.9620 18.6159 179.0985 14 L 3.8830 8.0354 118.4126 58.4056 42.1695 178.8326 15 S 4.0749 8.2054 112.8148 61.4259 62.2928 176.0661 16 A 3.9861 7.9445 123.0392 55.3889 18.1711 179.7768 17 T 3.8416 7.8474 113.9990 66.8047 68.5673 176.9785 18 L 4.1397 8.0700 120.9394 57.3683 41.5360 179.4805 19 R 3.9130 8.3579 121.4839 60.2400 30.1606 179.3931 *20 S 4.1219 8.0522 118.1517 63.2431 61.7658 178.1547 21 A 4.2863 7.8577 125.2142 55.6528 18.2852 180.4391 *22 L 3.9951 7.8963 120.7992 59.7746 40.5243 181.2943 23 E 4.8919 8.1283 121.4574 58.6555 29.1209 179.7270 24 G 3.7201 8.0947 107.6002 48.2446 0.0000 176.1965 25 R 4.2578 7.6540 120.9681 58.9924 29.7042 179.4695 26 G 3.8245 7.2110 102.8536 45.7778 0.0000 174.4365 27 F 4.4886 8.1542 119.9340 57.6776 40.6285 174.9175 28 T 4.5282 8.9378 119.8365 62.9543 69.3217 173.8403 29 V 4.8321 8.4043 126.8060 61.1875 33.5265 174.2960 30 D 5.0506 9.0730 126.1251 52.5307 44.8185 173.9624 31 E 5.2408 8.5750 121.9155 55.1964 33.2728 175.2875 32 T 4.6287 8.4896 115.2573 61.6855 71.0180 174.1006 33 T 4.2638 8.7079 117.6124 61.7109 69.7103 174.4250 34 D 4.5725 7.6019 123.1505 53.1363 40.1836 176.3760 35 G 3.7821 8.6463 117.0441 48.1431 0.0000 174.1902 36 K 4.2162 8.2672 124.8616 58.5453 31.8319 180.6028 37 G 4.3110 7.6158 103.8934 44.7489 0.0000 175.5576 38 S 4.1686 7.8248 119.5987 60.9619 63.0393 176.6062 39 V 3.5443 7.6581 121.3432 65.9990 31.4544 177.8228 40 E 4.0045 8.1019 117.6215 59.0195 29.2598 178.9716 41 Q 3.9624 7.8899 120.1027 59.1733 29.0453 178.1695 42 I 3.6833 8.1495 121.3538 64.2455 36.8698 178.3950 43 R 3.9297 8.1013 121.2809 60.0272 30.0003 179.2599 44 R 4.0985 7.7732 119.2220 61.6125 29.6158 179.9008 45 D 4.6659 8.2651 118.7864 54.2083 42.4298 176.7411 46 R 3.8351 7.9464 117.4985 56.4562 27.4597 173.9853 47 P 4.5611 0.0000 0.0000 62.3700 32.7285 177.3376 48 D 4.5883 8.9530 119.5228 57.0166 41.8735 176.0016 49 L 4.6843 7.5357 118.2516 53.8922 45.9324 173.8159 50 V 4.7011 8.4266 123.6188 61.0954 34.7351 174.3335 51 V 4.4709 8.8302 129.1255 61.6844 32.9194 174.3275 52 L 5.0859 8.7465 130.8358 53.0258 44.2286 175.4886 53 A 4.5112 9.0306 129.2897 51.9696 19.5937 177.7925 54 V 3.3168 8.4750 121.2574 65.9824 32.0727 176.2935 55 D 4.7697 7.9333 128.2859 53.8109 40.1272 175.3699 56 L 4.6807 8.1455 123.8656 52.6343 44.3239 176.4147 57 S 4.2183 8.4810 113.7243 59.0273 64.0378 173.5043 58 A 3.4742 9.1604 121.7846 53.6544 15.4355 178.1204 59 G 3.9236 8.2053 104.0109 47.1750 0.0000 173.6489 60 Q 4.4920 7.4885 117.1056 54.2979 30.3657 174.4256 61 N 5.4737 8.4113 118.8038 51.1985 42.2318 175.5112 62 G 3.5902 8.7798 116.7403 47.5167 0.0000 175.2333 63 Y 4.2856 7.5779 118.4879 60.9781 37.9290 178.6393 64 L 4.0800 8.0220 119.3647 57.8915 41.9004 179.5280 65 I 3.7440 7.8129 119.8102 64.3632 37.0577 177.8889 66 C 4.1650 8.7412 120.1335 62.4386 31.3476 175.7871 67 G 3.7487 8.4505 107.4021 47.9840 0.0000 175.6692 68 K 4.0066 8.0617 121.1935 59.0957 32.1590 179.5347 69 L 4.0192 7.8954 118.9744 57.8188 41.4110 179.7247 70 K 4.1538 8.0048 117.0039 58.8783 32.0365 179.0284 71 K 4.2237 7.8890 117.5881 56.8919 32.5238 176.8776 72 D 4.4293 7.3194 120.6968 53.7878 41.6297 176.5158 73 D 4.3590 8.7669 126.2155 57.2295 41.7020 176.9401 74 D 4.5082 8.5521 118.2973 56.6751 41.2092 177.2737 75 L 4.5050 7.8727 116.5638 54.2837 42.0466 178.3750 76 K 4.0729 7.6510 119.6544 59.2577 32.3933 177.5608 77 N 4.6469 7.9461 113.7634 52.7483 38.6968 174.6871 78 V 3.8381 7.3334 120.0968 61.3671 32.0400 174.0376 79 P 4.5353 0.0000 0.0000 63.2161 32.5545 175.1883 80 I 4.8481 9.1355 125.0344 59.3633 40.5797 174.6011 81 V 4.1961 8.7219 127.4982 60.9955 33.4481 174.5853 82 I 4.4890 8.0120 130.3196 60.9006 38.5178 175.3250 83 I 5.4843 9.1345 119.4222 57.3542 40.6934 176.2678 84 G 4.1131 8.3707 110.0078 45.8115 0.0000 170.2462 85 N 4.5298 8.0756 119.0301 52.7992 39.7183 174.9704 86 P 2.9700 0.0000 0.0000 63.4620 31.5525 177.3419 87 D 4.4140 8.0507 118.9358 55.0393 39.4443 176.9692 88 G 4.0226 7.3310 107.9921 45.4341 0.0000 175.4709 89 F 4.1166 8.1752 119.5797 60.4373 38.6747 177.2392 90 A 3.9400 7.9252 118.4510 55.2916 18.3713 179.2458 91 Q 4.0091 7.8658 115.8501 59.5361 28.8164 178.5039 92 H 4.0905 7.8485 118.7652 59.0453 29.5883 177.3953 93 R 3.9829 7.6832 119.4003 59.1172 29.8907 178.7756 94 K 4.1156 7.6393 117.1085 57.8209 32.4052 177.8168 95 L 4.1753 7.0427 119.5090 54.0584 42.2395 177.9927 96 K 3.8699 8.7132 122.9209 59.3786 32.2742 176.9391 97 A 4.5041 7.6336 120.3056 52.3211 19.1946 176.9857 98 H 4.4132 7.4000 114.8071 56.6772 29.2616 174.9998 99 A 4.2956 8.8058 124.6129 51.8732 19.0793 177.9833 100 D 4.6125 8.3390 119.4666 57.2679 41.2629 177.0639 101 E 4.8341 7.6686 115.3545 54.8973 34.6306 173.8156 102 Y 4.7687 8.3572 117.5689 56.1143 41.6997 175.2114 103 V 4.5173 8.7431 123.3195 60.8590 34.5838 174.4353 104 A 5.0032 8.9798 129.8913 51.8908 19.1860 176.9736 105 K 4.5283 8.8017 122.2287 55.0434 33.2690 175.4421 106 P 4.3758 0.0000 0.0000 62.4090 32.1088 176.1461 107 V 3.7553 8.1960 122.3588 62.3114 32.4905 175.2763 108 D 4.5368 8.6518 126.2567 53.5135 41.7534 176.5885 109 A 4.0699 8.7468 132.3299 56.0962 18.3987 179.4422 *110 D 4.4338 8.3410 121.5611 59.1656 39.8727 181.2734 111 Q 4.2604 7.9988 120.8517 60.0693 28.1795 181.0491 112 L 4.1202 7.9081 121.5397 57.8494 42.0564 179.3286 113 V 3.5796 7.7447 120.8430 66.6930 31.5573 178.5450 114 E 4.0545 7.9578 118.1402 61.1123 29.5461 180.8823 115 R 4.0863 8.2906 119.2571 59.1534 30.1326 178.4778 116 A 3.9356 8.3720 121.2730 55.1091 18.1026 179.9170 117 G 3.7446 8.1479 102.9620 47.8351 0.0000 175.5278 118 A 4.1826 7.8266 122.3309 54.8420 18.4395 179.5713 119 L 4.1277 7.7525 116.7611 57.1910 41.9612 177.3149 120 I 4.1772 7.7432 115.3614 60.9298 37.6427 174.9467 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 3 K 8.20 4.70 0.00 1.47 1.79 0.00 1.82 0.00 0.00 1.78 0.00 0.00 2.84 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 0.87 7.81 4 K 8.88 4.78 0.00 1.52 1.71 0.00 1.70 0.00 0.00 1.84 0.00 0.00 2.84 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.40 1.08 7.81 5 I 9.44 4.97 1.87 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 1.09 0.68 0.91 0.00 0.00 6 L 8.79 4.98 0.00 1.32 1.57 0.92 0.73 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 7 I 8.67 4.74 1.85 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 1.06 0.55 0.88 0.00 0.00 8 V 8.77 4.44 2.04 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 1.19 0.00 0.00 0.90 0.00 0.00 9 E 8.28 4.93 0.00 1.93 1.73 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 2.18 2.52 0.00 10 S 8.89 4.16 0.00 4.01 4.03 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 0.00 0.00 0.00 0.00 11 D 8.70 4.46 0.00 2.73 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 12 T 8.33 3.93 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 1.20 0.00 0.00 13 A 7.97 3.94 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 14 L 8.04 3.88 0.00 1.86 1.85 0.92 0.88 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 S 8.21 4.07 0.00 4.02 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 16 A 7.94 3.99 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 17 T 7.85 3.84 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 1.21 0.00 0.00 18 L 8.07 4.14 0.00 1.81 1.68 0.90 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.36 3.91 0.00 1.94 2.08 0.00 3.10 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.65 0.00 *20 S 8.05 4.12 0.00 3.80 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 21 A 7.86 4.29 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 *22 L 7.90 4.00 0.00 1.70 1.69 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 23 E 8.13 4.89 0.00 2.08 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 0.00 2.49 2.36 0.00 24 G 8.09 3.72 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 0.00 0.00 0.00 25 R 7.65 4.26 0.00 1.94 1.85 0.00 3.25 0.00 0.00 3.23 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 26 G 7.21 3.82 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 0.00 0.00 0.00 27 F 8.15 4.49 0.00 3.18 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 28 T 8.94 4.53 4.29 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 1.23 0.00 0.00 29 V 8.40 4.83 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 0.76 0.00 0.00 1.02 0.00 0.00 30 D 9.07 5.05 0.00 2.74 2.43 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 0.00 31 E 8.58 5.24 0.00 1.84 1.79 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 2.18 2.25 0.00 32 T 8.49 4.63 4.23 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 1.20 0.00 0.00 33 T 8.71 4.26 4.23 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 1.25 0.00 0.00 34 D 7.60 4.57 0.00 2.58 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 35 G 8.65 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 36 K 8.27 4.22 0.00 1.87 1.75 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.08 7.81 37 G 7.62 4.31 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 0.00 38 S 7.82 4.17 0.00 3.99 4.26 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 39 V 7.66 3.54 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 1.06 0.00 0.00 0.93 0.00 0.00 40 E 8.10 4.00 0.00 2.02 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 2.40 2.30 0.00 41 Q 7.89 3.96 0.00 2.18 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 42 I 8.15 3.68 2.06 0.00 0.00 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 1.39 0.62 0.90 0.00 0.00 43 R 8.10 3.93 0.00 1.80 2.13 0.00 3.43 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 44 R 7.77 4.10 0.00 1.97 1.82 0.00 3.31 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 45 D 8.27 4.67 0.00 2.69 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 46 R 7.95 3.84 0.00 1.92 1.95 0.00 3.32 0.00 0.00 3.50 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 47 P 0.00 4.56 0.00 2.34 2.04 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 48 D 8.95 4.59 0.00 2.84 2.80 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 49 L 7.54 4.68 0.00 1.64 1.36 0.82 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 50 V 8.43 4.70 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 0.80 0.00 0.00 0.90 0.00 0.00 51 V 8.83 4.47 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 0.79 0.00 0.00 0.83 0.00 0.00 52 L 8.75 5.09 0.00 1.67 1.37 0.87 1.09 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 53 A 9.03 4.51 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 54 V 8.48 3.32 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 0.77 0.00 0.00 0.45 0.00 0.00 55 D 7.93 4.77 0.00 2.59 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 56 L 8.15 4.68 0.00 1.69 1.60 0.89 0.96 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 57 S 8.48 4.22 0.00 4.00 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 58 A 9.16 3.47 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 59 G 8.21 3.92 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 0.00 0.00 0.00 60 Q 7.49 4.49 0.00 2.25 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.70 0.00 0.00 0.00 0.00 0.00 2.47 2.42 0.00 61 N 8.41 5.47 0.00 2.81 2.67 0.00 0.00 7.03 7.93 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 62 G 8.78 3.59 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 0.00 0.00 0.00 63 Y 7.58 4.29 0.00 3.06 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 64 L 8.02 4.08 0.00 1.91 1.76 0.96 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 65 I 7.81 3.74 1.98 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 1.20 0.90 0.00 0.00 66 C 8.74 4.16 0.00 3.03 3.23 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 67 G 8.45 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 0.00 0.00 0.00 68 K 8.06 4.01 0.00 2.03 1.88 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.67 7.81 69 L 7.90 4.02 0.00 1.87 1.70 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.00 4.15 0.00 1.74 1.85 0.00 1.67 0.00 0.00 1.80 0.00 0.00 3.00 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.63 1.89 7.81 71 K 7.89 4.22 0.00 1.81 1.86 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.46 1.62 7.81 72 D 7.32 4.43 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 73 D 8.77 4.36 0.00 2.65 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 74 D 8.55 4.51 0.00 2.71 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 75 L 7.87 4.51 0.00 1.83 1.66 0.97 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 76 K 7.65 4.07 0.00 1.80 2.14 0.00 1.58 0.00 0.00 1.63 0.00 0.00 3.10 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.37 7.81 77 N 7.95 4.65 0.00 2.73 2.87 0.00 0.00 6.85 7.68 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 78 V 7.33 3.84 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 0.74 0.00 0.00 0.95 0.00 0.00 79 P 0.00 4.54 0.00 2.07 1.94 0.00 3.71 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.12 0.00 80 I 9.14 4.85 1.78 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.28 0.81 0.00 0.00 81 V 8.72 4.20 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 0.94 0.00 0.00 0.82 0.00 0.00 82 I 8.01 4.49 1.40 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.50 0.92 0.00 0.00 83 I 9.13 5.48 1.89 0.00 0.00 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 1.20 1.78 0.88 0.00 0.00 84 G 8.37 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 85 N 8.08 4.53 0.00 2.69 2.75 0.00 0.00 6.69 7.71 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 86 P 0.00 2.97 0.00 2.02 2.01 0.00 3.58 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.85 0.00 87 D 8.05 4.41 0.00 2.76 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 88 G 7.33 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 F 8.18 4.12 0.00 2.95 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 90 A 7.93 3.94 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 91 Q 7.87 4.01 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.85 0.00 0.00 0.00 0.00 0.00 2.40 2.36 0.00 92 H 7.85 4.09 0.00 2.82 3.19 0.00 5.59 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 R 7.68 3.98 0.00 1.85 1.90 0.00 3.11 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.26 0.00 94 K 7.64 4.12 0.00 1.79 1.85 0.00 1.66 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.58 7.81 95 L 7.04 4.18 0.00 1.68 1.53 0.82 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 96 K 8.71 3.87 0.00 1.71 1.83 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.44 7.81 97 A 7.63 4.50 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 98 H 7.40 4.41 0.00 3.43 3.73 0.00 5.76 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 99 A 8.81 4.30 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 D 8.34 4.61 0.00 2.68 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 0.00 101 E 7.67 4.83 0.00 1.73 1.70 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 2.25 2.26 0.00 102 Y 8.36 4.77 0.00 2.03 1.43 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 0.00 103 V 8.74 4.52 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 0.99 0.00 0.00 0.89 0.00 0.00 104 A 8.98 5.00 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 0.00 105 K 8.80 4.53 0.00 1.65 1.76 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.49 1.53 7.81 106 P 0.00 4.38 0.00 2.18 2.06 0.00 3.77 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 107 V 8.20 3.76 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 0.78 0.00 0.00 0.96 0.00 0.00 108 D 8.65 4.54 0.00 2.84 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 0.00 109 A 8.75 4.07 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 *110 D 8.34 4.43 0.00 2.70 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 0.00 111 Q 8.00 4.26 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.88 0.00 0.00 0.00 0.00 0.00 2.36 1.98 0.00 112 L 7.91 4.12 0.00 1.77 1.81 0.87 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 113 V 7.74 3.58 2.28 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 1.05 0.00 0.00 1.06 0.00 0.00 114 E 7.96 4.05 0.00 1.96 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 2.24 2.19 0.00 115 R 8.29 4.09 0.00 1.95 2.06 0.00 3.06 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.69 0.00 116 A 8.37 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 G 8.15 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 0.00 0.00 0.00 118 A 7.83 4.18 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 0.00 119 L 7.75 4.13 0.00 1.63 1.71 0.85 0.77 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 0.00 120 I 7.74 4.18 1.95 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.90 0.97 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.