NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.5091 8.1576 124.0273 54.5182 34.7540 174.3673 3 S 4.1236 6.8703 112.5426 57.4918 63.4601 173.3636 4 L 4.2337 8.8894 122.3981 57.8910 43.0809 178.4639 5 G 4.5561 8.5683 104.0500 45.0450 0.0000 171.9539 6 R 5.1472 9.0925 119.5389 54.3236 33.2314 174.6494 7 H 5.1125 9.2022 123.7028 54.3182 32.9019 171.8665 8 L 4.7250 8.7110 126.5092 53.1808 43.7250 175.7542 9 V 4.3931 8.8164 125.3248 61.4757 32.7306 174.2334 10 A 5.4317 9.1865 130.4501 50.1172 22.6009 174.4167 11 E 4.8656 9.5028 120.8386 54.7188 32.2073 175.0553 12 F 5.1508 8.7501 124.2439 56.0275 41.2702 174.6615 13 Y 5.3028 9.0532 121.7560 56.2752 41.2408 175.4170 14 E 3.7602 8.8495 118.4956 57.8233 27.0520 174.2750 15 C 4.6564 8.3202 115.6657 58.4924 29.9419 173.6982 16 D 4.4449 9.0691 120.7153 54.3430 40.1724 177.1048 17 R 4.0662 8.5550 127.0053 58.9456 30.1801 178.6445 18 E 4.1034 8.5122 118.9448 59.3691 29.4922 179.3408 19 V 3.5986 7.9457 117.7825 66.0451 31.4501 177.8751 20 L 4.0911 7.8171 117.5226 56.9657 41.4721 177.9153 21 D 4.9586 7.5725 115.5931 53.3625 42.2025 176.6119 22 N 4.6978 7.7682 118.6677 52.3470 38.4253 174.9426 23 V 3.5842 8.0813 127.6814 64.5960 31.3055 178.0060 24 Q 3.8597 7.9993 119.6502 58.7611 28.9278 177.6151 25 L 3.9142 8.5728 121.8799 57.9954 42.0587 178.8586 26 I 3.5968 7.9114 120.1198 64.3158 37.0337 177.9586 27 E 2.5400 7.5038 119.6274 58.5447 29.2903 178.5855 28 Q 3.8065 7.4783 119.5345 59.4136 29.1883 178.3001 29 E 4.0980 8.3593 119.7862 59.5797 29.5236 179.2946 30 M 4.1199 8.2307 119.2157 58.1763 32.0195 178.9314 31 K 3.7197 7.8907 118.8471 59.1146 32.0880 179.2350 32 Q 3.9952 7.9559 119.7818 58.9428 28.9803 178.0947 33 A 3.9393 8.0162 121.8039 54.7708 18.3922 179.5063 34 A 3.8574 7.4980 118.9101 55.4501 18.3959 179.3945 35 Y 4.2672 7.3843 115.1645 61.5455 37.7816 178.7041 36 E 4.0707 8.3018 118.4344 59.4523 29.9758 179.0919 37 S 4.5597 8.2536 112.7996 58.8047 63.1860 175.8181 38 G 3.7867 8.2598 110.7228 45.7313 0.0000 173.5914 39 A 4.2999 7.5986 121.4751 51.8701 19.4276 177.4491 40 T 4.6046 8.1360 116.1890 62.0152 70.4901 174.3474 41 I 4.0955 8.4524 127.9719 61.6186 37.4755 175.6769 42 V 4.0691 9.1170 127.7145 64.9013 32.4735 175.4948 43 T 4.7285 7.4781 112.5207 61.1575 71.1670 171.6310 44 S 5.1074 8.3790 118.3230 57.0687 65.7911 173.1039 45 T 4.6306 8.7089 121.2316 60.9402 70.5734 172.2610 46 F 5.0456 8.8135 126.7074 56.0236 42.7319 174.1310 47 H 5.0671 9.5832 121.0132 54.8187 33.4267 172.9940 48 R 5.0252 8.8355 123.9023 55.7768 31.7548 175.5540 *49 F 4.7837 8.6766 124.8561 54.5239 40.1078 172.7769 50 L 4.2047 8.3252 123.0550 52.8553 42.4856 175.5798 51 P 4.0465 0.0000 0.0000 64.9487 31.7206 175.7725 52 Y 4.9369 7.4466 113.8019 56.3793 42.1675 173.9477 53 G 4.0042 8.3339 109.4515 43.4429 0.0000 173.3651 54 V 4.8266 8.4955 122.3334 61.0491 35.1747 174.2689 55 S 5.1469 9.0714 123.1718 56.8897 66.6524 173.2889 56 G 3.5207 8.6380 109.7823 44.7104 0.0000 172.2032 57 V 4.7013 7.6154 120.9124 59.5434 35.3087 174.5475 58 V 4.6008 8.9567 124.5695 60.9789 33.2536 174.3548 59 V 4.1612 8.3628 129.5516 62.6789 32.8402 175.1130 60 I 5.0479 8.1780 121.1754 57.7132 41.3636 174.2074 61 S 3.9886 8.7137 117.8355 60.1458 62.3591 173.7100 62 E 3.7986 8.8060 123.5388 56.5933 27.3024 174.8033 63 S 4.0207 7.4541 112.8147 58.9481 66.9455 173.2840 64 H 4.8564 7.6736 112.9396 55.3128 32.4467 172.6625 65 L 5.3304 8.7567 118.9198 53.2907 44.7429 176.0218 66 T 5.0667 8.9854 113.9603 60.0785 72.7552 172.7480 67 I 4.8594 8.1327 121.4636 60.2217 42.2936 173.2046 68 H 5.2191 9.2170 125.6146 54.4538 32.2029 172.5282 69 T 5.0082 8.8167 114.3689 59.9931 71.7727 173.7247 70 W 5.0060 9.3967 122.8663 53.7176 29.6106 173.8585 71 P 4.2911 0.0000 0.0000 65.5019 31.2717 178.4557 72 E 3.8961 8.0781 113.6930 58.1347 28.8723 176.6608 73 Y 4.7700 8.3150 116.5854 56.8736 39.6154 176.3650 74 G 4.2314 8.2860 108.2714 46.5633 0.0000 172.2170 75 Y 5.5697 7.7773 120.2685 55.6541 41.7526 174.3441 76 A 4.8523 7.9909 125.5180 50.1138 23.2300 174.7619 77 A 4.6254 9.0203 124.8618 50.5450 20.8330 175.9983 78 I 4.8705 8.3545 123.2277 59.8802 40.8210 174.7713 79 D 5.2808 8.9989 125.1040 52.7022 44.6676 174.7460 80 L 4.7405 9.0683 123.4902 52.6707 43.9623 174.0313 81 F 5.2864 9.3098 126.8492 56.6035 40.9812 174.2513 82 T 5.1287 9.2181 116.3756 58.9686 72.3887 172.8169 83 C 5.1688 8.7538 119.6515 58.8150 31.4991 174.0538 84 G 4.2217 8.0709 111.8527 44.7198 0.0000 174.9705 85 E 4.0515 8.7397 121.2608 58.7388 29.7299 177.6979 86 D 4.6156 8.0547 116.2186 54.4593 41.4225 175.9412 87 V 4.4454 7.4795 120.1753 60.8552 33.3493 174.0442 88 D 4.9268 8.5381 127.3198 51.6772 42.0823 174.8382 89 P 4.3162 0.0000 0.0000 65.6562 31.2161 178.2806 90 W 4.3010 8.6441 118.5769 59.2034 28.9259 178.5405 91 K 4.2195 8.2579 118.4157 59.1862 31.4353 179.2132 92 A 4.0376 8.0218 120.8198 54.9625 18.4425 179.0973 93 F 4.1574 8.3143 119.2738 61.5454 39.4877 176.9462 94 E 3.7782 8.5824 118.7603 59.5579 29.4138 178.2726 95 H 4.1542 8.2264 118.1225 59.2492 29.8837 177.2751 96 L 3.9292 8.1120 120.8892 57.6363 41.3330 179.2319 97 K 3.5609 8.3718 119.9441 59.2556 31.9443 178.7886 98 K 3.8406 7.7986 119.0574 59.4293 31.9844 178.6845 99 A 3.9586 7.8375 119.8776 54.7918 18.6477 178.7720 100 L 4.2874 8.3099 115.4428 53.7860 42.3379 176.8707 101 K 3.8463 7.7183 116.9067 57.0976 30.2093 175.4286 102 A 4.2943 7.5752 119.6309 52.2537 18.6928 179.0406 103 K 4.4274 8.6408 120.5751 56.5530 33.4527 176.7747 104 R 4.7615 7.5821 120.6123 55.2965 33.4656 173.8990 105 V 5.1720 8.5119 118.0770 60.0714 36.3359 174.1628 106 H 4.9989 9.2973 122.0304 54.5995 33.0818 172.2704 107 V 4.9388 8.3232 124.4766 61.1251 34.7212 174.2548 108 V 4.3378 8.6256 127.3603 61.0090 33.9663 173.5331 109 E 4.9749 8.7618 128.7359 54.9752 31.0798 174.3914 110 H 4.9044 9.3333 124.5708 54.2780 31.7395 174.1384 111 E 4.8184 8.5956 121.5974 54.9721 30.1590 175.5576 112 R 3.9253 8.5870 125.1478 55.4901 31.6031 177.0901 113 G 3.9882 8.5053 110.9042 46.2993 0.0000 173.8949 114 R 4.2571 7.4773 117.3818 56.3022 31.0578 178.4322 115 Y 4.5356 8.8081 120.5562 61.2616 37.9907 177.8739 116 D 4.4851 8.1617 116.4635 54.4422 40.0809 176.4839 117 E 4.3769 8.0274 119.3738 57.1261 30.6773 176.0412 118 I 4.0882 7.2435 115.9124 60.8279 37.7727 175.2121 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 K 8.16 4.51 0.00 1.47 1.86 0.00 1.80 0.00 0.00 1.81 0.00 0.00 2.86 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.02 7.81 3 S 6.87 4.12 0.00 3.98 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 L 8.89 4.23 0.00 1.81 1.86 1.02 1.39 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 5 G 8.57 4.56 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 0.00 0.00 0.00 6 R 9.09 5.15 0.00 1.74 1.81 0.00 3.10 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 7 H 9.20 5.11 0.00 2.29 2.78 0.00 5.58 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 L 8.71 4.73 0.00 1.34 1.15 -0.68 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.82 4.39 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 0.95 0.00 0.00 0.76 0.00 0.00 10 A 9.19 5.43 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 11 E 9.50 4.87 0.00 1.80 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 2.35 2.53 0.00 12 F 8.75 5.15 0.00 2.82 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 13 Y 9.05 5.30 0.00 3.04 2.85 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 14 E 8.85 3.76 0.00 2.19 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 2.30 2.42 0.00 15 C 8.32 4.66 0.00 3.01 3.11 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 16 D 9.07 4.44 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 17 R 8.55 4.07 0.00 1.81 1.96 0.00 3.26 0.00 0.00 3.38 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.88 0.00 18 E 8.51 4.10 0.00 2.17 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 0.00 2.33 2.46 0.00 19 V 7.95 3.60 2.24 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 1.12 0.00 0.00 0.93 0.00 0.00 20 L 7.82 4.09 0.00 1.87 1.77 1.08 1.07 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 21 D 7.57 4.96 0.00 2.62 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 22 N 7.77 4.70 0.00 2.96 2.79 0.00 0.00 6.91 7.86 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 23 V 8.08 3.58 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 0.72 0.00 0.00 0.98 0.00 0.00 24 Q 8.00 3.86 0.00 2.10 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.96 0.00 0.00 0.00 0.00 0.00 2.38 2.35 0.00 25 L 8.57 3.91 0.00 1.80 1.73 0.93 0.85 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 26 I 7.91 3.60 1.82 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 1.66 0.80 1.00 0.00 0.00 27 E 7.50 2.54 0.00 1.16 1.48 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 0.00 1.95 1.56 0.00 28 Q 7.48 3.81 0.00 2.02 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 29 E 8.36 4.10 0.00 1.96 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 2.54 2.46 0.00 30 M 8.23 4.12 0.00 2.20 2.19 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.96 2.88 0.00 31 K 7.89 3.72 0.00 1.76 1.39 0.00 1.58 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.34 1.42 7.81 32 Q 7.96 4.00 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.21 2.05 0.00 33 A 8.02 3.94 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 34 A 7.50 3.86 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 35 Y 7.38 4.27 0.00 3.14 2.89 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 36 E 8.30 4.07 0.00 2.14 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 2.67 2.46 0.00 37 S 8.25 4.56 0.00 4.23 4.14 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 38 G 8.26 3.79 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 0.00 0.00 0.00 39 A 7.60 4.30 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 40 T 8.14 4.60 4.25 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 1.23 0.00 0.00 41 I 8.45 4.10 1.93 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.49 0.95 0.00 0.00 42 V 9.12 4.07 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 0.70 0.00 0.00 0.92 0.00 0.00 43 T 7.48 4.73 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 1.18 0.00 0.00 44 S 8.38 5.11 0.00 3.94 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 45 T 8.71 4.63 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 1.09 0.00 0.00 46 F 8.81 5.05 0.00 2.82 2.85 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 47 H 9.58 5.07 0.00 2.96 3.10 0.00 5.57 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 48 R 8.84 5.03 0.00 1.56 1.68 0.00 3.24 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.16 0.00 *49 F 8.68 4.78 0.00 2.03 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 0.00 0.00 0.00 0.00 50 L 8.33 4.20 0.00 1.54 1.48 0.87 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 51 P 0.00 4.05 0.00 0.68 1.74 0.00 3.58 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.75 0.00 52 Y 7.45 4.94 0.00 2.93 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 53 G 8.33 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 0.00 0.00 0.00 54 V 8.50 4.83 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 1.11 0.00 0.00 0.96 0.00 0.00 55 S 9.07 5.15 0.00 3.74 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 56 G 8.64 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 0.00 0.00 0.00 57 V 7.62 4.70 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 0.55 0.00 0.00 0.80 0.00 0.00 58 V 8.96 4.60 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 0.90 0.00 0.00 1.10 0.00 0.00 59 V 8.36 4.16 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 0.84 0.00 0.00 0.86 0.00 0.00 60 I 8.18 5.05 1.91 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 1.26 1.57 0.88 0.00 0.00 61 S 8.71 3.99 0.00 3.87 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 62 E 8.81 3.80 0.00 2.02 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 2.19 2.25 0.00 63 S 7.45 4.02 0.00 3.23 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 64 H 7.67 4.86 0.00 3.08 3.26 0.00 5.20 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 L 8.76 5.33 0.00 1.61 1.55 0.89 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 66 T 8.99 5.07 4.12 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 1.15 0.00 0.00 67 I 8.13 4.86 1.77 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.27 0.98 0.00 0.00 68 H 9.22 5.22 0.00 3.33 3.00 0.00 5.64 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 T 8.82 5.01 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 1.22 0.00 0.00 70 W 9.40 5.01 0.00 3.77 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 71 P 0.00 4.29 0.00 2.12 2.11 0.00 3.65 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 2.39 2.18 0.00 72 E 8.08 3.90 0.00 1.69 1.74 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 1.47 1.71 0.00 73 Y 8.31 4.77 0.00 3.36 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 74 G 8.29 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 0.00 0.00 0.00 0.00 75 Y 7.78 5.57 0.00 3.49 3.11 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 76 A 7.99 4.85 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 77 A 9.02 4.63 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 78 I 8.35 4.87 1.29 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.17 0.66 0.00 0.00 79 D 9.00 5.28 0.00 2.61 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 80 L 9.07 4.74 0.00 1.41 1.49 0.95 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 81 F 9.31 5.29 0.00 2.52 2.48 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 0.00 0.00 0.00 0.00 82 T 9.22 5.13 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 1.23 0.00 0.00 83 C 8.75 5.17 0.00 2.94 2.89 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 84 G 8.07 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 85 E 8.74 4.05 0.00 2.01 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 0.00 2.36 2.33 0.00 86 D 8.05 4.62 0.00 2.69 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 87 V 7.48 4.45 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 0.85 0.00 0.00 1.01 0.00 0.00 88 D 8.54 4.93 0.00 2.89 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 89 P 0.00 4.32 0.00 2.02 2.23 0.00 3.85 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.01 0.00 90 W 8.64 4.30 0.00 3.68 3.41 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 91 K 8.26 4.22 0.00 1.99 1.99 0.00 1.78 0.00 0.00 1.79 0.00 0.00 3.02 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.76 1.78 7.81 92 A 8.02 4.04 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 93 F 8.31 4.16 0.00 3.00 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 94 E 8.58 3.78 0.00 2.57 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 2.42 2.42 0.00 95 H 8.23 4.15 0.00 3.36 3.32 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 L 8.11 3.93 0.00 1.92 1.74 0.85 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 97 K 8.37 3.56 0.00 0.84 1.47 0.00 1.47 0.00 0.00 1.38 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.90 1.18 7.81 98 K 7.80 3.84 0.00 1.81 1.84 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.42 7.81 99 A 7.84 3.96 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 0.00 100 L 8.31 4.29 0.00 1.83 1.80 1.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 101 K 7.72 3.85 0.00 1.89 1.86 0.00 1.83 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.36 7.81 102 A 7.58 4.29 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 K 8.64 4.43 0.00 1.72 1.88 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.53 7.81 104 R 7.58 4.76 0.00 1.94 1.95 0.00 3.13 0.00 0.00 3.36 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.78 0.00 105 V 8.51 5.17 2.23 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 0.21 0.00 0.00 1.14 0.00 0.00 106 H 9.30 5.00 0.00 3.40 3.27 0.00 5.53 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 V 8.32 4.94 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 0.58 0.00 0.00 0.97 0.00 0.00 108 V 8.63 4.34 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 0.60 0.00 0.00 0.98 0.00 0.00 109 E 8.76 4.97 0.00 2.12 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 2.21 2.30 0.00 110 H 9.33 4.90 0.00 2.90 3.02 0.00 5.65 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 E 8.60 4.82 0.00 1.78 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 0.00 2.19 2.29 0.00 112 R 8.59 3.93 0.00 1.57 1.75 0.00 3.21 0.00 0.00 2.93 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.50 0.00 113 G 8.51 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 0.00 0.00 0.00 114 R 7.48 4.26 0.00 1.88 2.00 0.00 3.13 0.00 0.00 3.32 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.76 0.00 115 Y 8.81 4.54 0.00 2.98 2.89 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 0.00 116 D 8.16 4.49 0.00 2.80 2.84 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 0.00 117 E 8.03 4.38 0.00 2.19 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 2.29 2.38 0.00 118 I 7.24 4.09 1.93 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 1.51 0.72 0.97 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.