NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3707 8.3049 118.1934 55.3042 31.8774 175.8574 2 I 3.9855 8.2645 121.0951 59.5843 37.6567 174.3035 3 S 4.2551 9.0756 122.9817 59.3530 64.2228 174.9435 4 G 3.7976 7.2286 104.9207 45.5049 0.0000 170.9177 5 L 4.1534 7.9819 122.4594 54.8638 42.8738 177.1077 6 S 4.5196 8.2316 120.1216 59.0886 63.1954 173.2598 7 H 4.6118 6.8057 111.8771 54.9923 30.9238 172.1819 8 I 4.4319 7.9971 118.5184 59.7599 40.6421 174.7755 9 T 5.0075 8.4946 123.2520 61.7832 70.5241 173.7416 10 L 4.8698 9.0009 125.9718 52.9475 45.4087 175.2808 11 I 5.1044 8.4027 121.9733 59.8789 39.2874 175.4916 12 V 4.7275 8.7059 118.9581 59.4419 35.6544 176.8797 13 K 4.2687 9.5205 124.5998 58.3003 32.4054 177.0139 14 D 4.8781 7.8199 118.7170 51.7295 43.2224 175.4379 15 L 4.1735 9.4664 130.5497 58.0114 41.9840 178.5215 16 N 4.4809 8.2996 116.3891 56.0411 38.7085 177.3514 17 K 4.0147 8.8148 120.3449 59.9102 32.0847 179.6246 18 T 4.2720 8.1394 116.0217 66.9384 68.2748 176.9533 19 T 3.8687 8.2150 117.5973 66.5683 68.5457 176.4790 20 A 4.2236 8.0044 122.7419 55.0768 18.4130 179.3001 21 F 4.1725 8.3868 118.8385 61.7167 39.5912 177.3660 22 L 3.8963 8.3853 118.7589 57.8808 40.8861 179.6878 23 Q 4.1112 8.4780 118.4059 58.9222 28.4201 178.4194 24 N 4.2847 8.3723 116.8513 56.5248 38.7817 177.2653 25 I 3.7081 7.1861 119.7104 62.7947 37.3273 176.9153 26 F 4.6818 7.2617 115.3411 56.2872 39.2196 175.0647 27 N 4.3512 8.4956 115.5770 52.4439 36.1174 174.1579 28 A 4.3188 8.1714 118.1474 52.5533 19.4344 177.5155 29 E 4.6108 9.0421 123.3191 54.2118 31.4850 174.7580 30 E 4.1451 8.9791 129.3121 56.0755 30.2402 176.1202 31 I 4.6599 8.1828 117.9938 59.9533 39.6125 174.2643 32 Y 4.4228 7.4035 120.7408 57.5988 41.6066 172.2139 33 S 4.8257 7.0867 118.6421 57.2412 65.9694 172.4728 34 S 4.2792 8.4567 117.8276 57.9616 66.4479 174.2370 35 G 4.2686 8.8483 106.7654 44.4052 0.0000 173.6625 36 D 4.3209 8.9115 114.6866 53.1853 43.6707 176.5652 37 K 4.0547 8.4388 130.0212 59.5039 32.4002 178.7835 38 T 4.0368 8.1208 107.9032 63.4037 68.7764 174.6277 39 F 5.1243 8.4848 123.2243 57.1806 39.9893 174.8476 40 S 3.7361 8.0068 113.4288 60.2620 60.7799 172.6948 41 L 4.7705 7.4931 118.5045 52.6527 44.7717 177.7255 42 S 4.5238 8.8668 120.3108 58.6903 63.6285 174.6442 43 K 4.6536 8.7091 122.7872 56.7766 33.5282 175.7080 44 E 5.3717 9.1094 119.9801 55.5246 33.5314 174.0603 45 K 5.0356 9.4967 119.6474 55.1253 37.1390 175.0836 46 F 5.9573 8.8067 122.3088 56.1818 41.7391 174.8005 47 F 5.5324 10.1568 120.6121 55.7988 44.0286 173.6018 48 L 5.3204 9.0981 119.9021 53.2740 44.3675 175.9728 49 I 4.6776 8.5506 124.3600 59.3674 40.5003 175.7885 50 A 3.8017 9.8401 131.8794 53.2316 16.0068 177.5847 51 G 4.0067 8.4719 106.3438 46.5734 0.0000 173.9164 52 L 4.5935 7.9595 120.3307 52.8752 43.6461 175.5542 53 W 5.1500 8.6629 132.3856 56.7044 31.8424 174.6123 54 I 4.9769 9.1531 129.4979 59.8609 39.0461 174.7052 55 C 5.5999 8.9504 124.9722 58.2344 31.0050 172.9965 56 I 5.1995 9.2672 122.7607 59.8386 40.8977 173.9841 57 M 5.2353 9.0227 126.2214 53.5906 35.2611 173.9687 58 E 4.8155 9.2256 127.9217 56.2507 30.6244 175.7090 59 G 4.0466 9.2027 112.6521 46.0950 0.0000 173.1243 60 D 5.0173 8.6746 117.3332 53.9041 40.9918 176.4165 61 S 4.4599 7.9315 114.9447 57.0386 62.8740 172.9324 62 L 4.6697 8.3395 129.3043 53.1042 44.1193 175.3703 63 Q 4.3563 8.4652 127.0048 54.8556 30.1537 174.9997 64 E 4.2468 8.3516 121.0341 55.6294 30.6225 176.7935 65 R 4.1169 8.2458 119.7205 56.7432 30.6312 176.1888 66 T 4.6029 8.0202 110.7361 61.1819 71.4573 172.5397 67 Y 4.7143 8.4749 120.3876 57.8745 38.8852 174.7842 68 N 4.3165 7.9209 117.6529 54.2015 38.8309 173.8135 69 H 4.9141 7.9447 117.3617 54.3777 32.5244 172.3220 70 I 4.3293 7.8560 117.6376 59.2422 39.7706 174.6752 71 A 5.1060 8.2912 128.2356 50.1272 21.1801 175.3502 72 F 4.7208 9.4847 121.6071 55.8161 41.8324 174.8135 73 Q 4.9243 8.7127 123.4543 55.6472 30.1708 174.6226 74 I 4.8188 8.6438 118.7015 59.8225 42.1431 173.7050 75 Q 4.8098 8.7984 120.4746 54.0857 30.5009 177.5841 76 S 4.2226 8.5476 115.3690 61.2302 63.2023 176.4274 77 E 4.1367 8.1332 119.7274 58.7910 29.5674 177.9140 78 E 4.2916 8.2560 117.2529 56.9254 29.7504 178.2844 79 V 3.6812 7.3372 118.4807 66.5272 31.5754 177.6353 80 D 4.3766 8.0700 117.6651 57.4151 40.7278 178.4760 81 E 3.8993 8.0548 118.6536 59.6100 29.4214 178.8646 82 Y 3.9906 8.3859 117.1712 60.9445 37.8251 178.3655 83 T 3.8094 7.9632 117.0188 66.5104 68.5857 176.1660 84 E 3.8768 8.0164 120.8958 59.3447 29.4550 179.0328 85 R 3.8340 7.5359 116.7035 59.4119 30.5001 178.8783 86 I 3.6168 7.8635 119.8018 63.9882 36.8473 178.3258 87 K 3.8896 8.4333 120.8122 59.5405 31.7879 178.7231 88 A 4.0455 7.8661 119.8270 54.8463 18.3080 179.2130 89 L 4.2206 7.6372 116.6968 55.6932 41.7548 178.4351 90 G 3.9640 7.7166 105.8972 45.7475 0.0000 173.9955 91 V 4.1252 7.4830 112.2008 60.0292 32.8384 175.2575 92 E 4.3365 8.7400 122.7356 56.7605 30.5062 175.2930 93 M 5.4043 8.8287 125.6249 53.6818 35.1026 175.3415 94 K 4.6528 8.7188 121.2236 54.4105 34.2125 174.8869 95 P 4.5256 0.0000 0.0000 61.7773 32.1199 176.0541 96 E 4.0857 8.5344 120.4206 56.5743 30.0424 175.9185 97 R 4.5001 8.2409 124.7741 53.7969 31.7629 174.2288 98 P 4.3966 0.0000 0.0000 62.7807 31.8712 175.9142 99 R 4.8839 8.2053 117.4431 54.7047 32.7074 174.8207 100 V 4.4299 9.2213 113.3001 59.6022 34.1213 174.8158 101 Q 4.3232 8.3850 118.5920 57.5799 29.3552 175.9019 102 G 3.9506 9.1616 109.9524 44.9125 0.0000 172.4011 103 E 4.6012 7.2810 117.9047 54.2228 29.9802 176.6159 104 G 3.9160 8.4652 114.2218 45.4000 0.0000 171.9418 105 R 4.4154 8.2965 116.9912 56.4298 31.4370 176.1528 106 S 5.2031 8.4820 115.8353 57.2793 67.6630 173.4671 107 I 4.7364 8.6264 121.8248 59.9872 40.6030 174.1148 108 Y 5.3977 8.7322 124.4509 56.4968 40.9250 174.6522 109 F 5.2531 8.7519 116.4096 56.6724 41.7496 172.4250 110 Y 5.6142 9.3912 117.9432 55.8154 40.1127 176.1049 111 D 3.9572 8.6320 121.5434 53.3130 39.6193 177.2387 112 F 4.9017 8.1018 118.7989 57.6058 39.5030 175.1064 113 D 4.8521 8.4707 121.9227 54.4029 41.6809 175.9431 114 N 4.4682 8.3780 111.3599 54.5213 36.6439 173.7874 115 H 4.6616 7.8621 116.2585 54.7204 29.8800 174.2161 116 L 4.4485 8.3672 126.2873 54.2860 43.3324 175.3649 117 F 4.9919 9.1381 124.8122 55.6743 42.8210 173.9919 118 E 4.8087 8.8648 120.8313 54.6007 33.4251 173.9543 119 L 5.0039 9.0902 127.1862 53.5797 43.8988 174.6554 120 H 5.2359 9.3192 125.3262 53.9302 31.8864 174.7286 121 A 5.5479 8.1453 129.2644 51.1355 19.2346 176.4913 122 G 4.0660 7.4207 106.8378 44.8647 0.0000 172.6025 123 T 4.6996 8.7911 109.7310 59.1278 72.7667 174.9745 124 L 3.9938 8.2677 122.0135 58.0737 42.1220 178.4626 125 E 3.9561 8.1813 118.1596 59.6664 28.0241 179.0565 126 E 3.9766 7.9086 118.4922 59.4086 29.2816 179.4895 127 R 4.2734 7.6010 118.5609 58.6372 30.3181 177.7418 128 L 4.4630 8.1270 118.2341 55.7272 41.9463 179.1471 129 K 4.1939 7.7597 125.0502 60.1950 31.7836 182.8219 130 R 3.7000 7.6505 115.3932 61.3155 30.6776 176.7890 *131 Y 4.1890 7.8925 122.9515 57.5047 36.7614 178.5018 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 4.37 0.00 2.13 1.99 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.51 0.00 2 I 8.26 3.99 1.85 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 0.16 0.94 0.00 0.00 3 S 9.08 4.26 0.00 3.87 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 4 G 7.23 3.80 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 0.00 5 L 7.98 4.15 0.00 1.56 1.56 0.81 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 6 S 8.23 4.52 0.00 3.84 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 7 H 6.81 4.61 0.00 2.18 1.71 0.00 5.52 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 I 8.00 4.43 1.81 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.58 0.82 0.00 0.00 9 T 8.49 5.01 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 1.23 0.00 0.00 10 L 9.00 4.87 0.00 1.59 1.36 1.02 0.69 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 11 I 8.40 5.10 1.94 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.89 0.97 0.00 0.00 12 V 8.71 4.73 2.38 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 0.88 0.00 0.00 1.07 0.00 0.00 13 K 9.52 4.27 0.00 1.73 1.94 0.00 1.60 0.00 0.00 1.49 0.00 0.00 2.79 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.36 7.81 14 D 7.82 4.88 0.00 2.69 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 9.47 4.17 0.00 1.86 1.81 1.15 0.68 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 16 N 8.30 4.48 0.00 2.95 2.89 0.00 0.00 7.18 7.03 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 17 K 8.81 4.01 0.00 1.86 1.61 0.00 1.46 0.00 0.00 1.60 0.00 0.00 2.49 0.00 0.00 2.29 0.00 0.00 0.00 0.00 1.25 1.39 7.81 18 T 8.14 4.27 4.43 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 1.41 0.00 0.00 19 T 8.22 3.87 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 1.61 0.00 0.00 20 A 8.00 4.22 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 21 F 8.39 4.17 0.00 3.37 3.35 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 22 L 8.39 3.90 0.00 1.50 1.43 0.43 0.99 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 23 Q 8.48 4.11 0.00 2.25 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.82 0.00 0.00 0.00 0.00 0.00 2.56 2.73 0.00 24 N 8.37 4.28 0.00 2.76 2.78 0.00 0.00 7.10 7.44 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 25 I 7.19 3.71 0.56 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.03 0.32 0.00 0.00 26 F 7.26 4.68 0.00 2.94 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 27 N 8.50 4.35 0.00 2.86 2.89 0.00 0.00 7.23 7.35 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 28 A 8.17 4.32 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 29 E 9.04 4.61 0.00 2.14 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 2.26 2.27 0.00 30 E 8.98 4.15 0.00 1.90 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 2.11 1.84 0.00 31 I 8.18 4.66 1.86 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 1.26 0.93 0.98 0.00 0.00 32 Y 7.40 4.42 0.00 2.92 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.09 4.83 0.00 3.78 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 34 S 8.46 4.28 0.00 3.84 3.50 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 35 G 8.85 4.27 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 0.00 36 D 8.91 4.32 0.00 2.76 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 37 K 8.44 4.05 0.00 1.86 1.83 0.00 1.79 0.00 0.00 1.89 0.00 0.00 3.09 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.47 7.81 38 T 8.12 4.04 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 1.24 0.00 0.00 39 F 8.48 5.12 0.00 3.02 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 40 S 8.01 3.74 0.00 4.01 3.87 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 41 L 7.49 4.77 0.00 1.61 1.57 0.94 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 42 S 8.87 4.52 0.00 3.80 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 43 K 8.71 4.65 0.00 1.78 1.77 0.00 1.70 0.00 0.00 1.89 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.56 1.48 7.81 44 E 9.11 5.37 0.00 2.34 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 2.29 2.41 0.00 45 K 9.50 5.04 0.00 2.01 1.34 0.00 1.86 0.00 0.00 1.77 0.00 0.00 2.82 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.32 1.53 7.81 46 F 8.81 5.96 0.00 3.04 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 47 F 10.16 5.53 0.00 3.02 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 48 L 9.10 5.32 0.00 1.64 1.62 0.94 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 49 I 8.55 4.68 1.78 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.89 0.40 0.00 0.00 50 A 9.84 3.80 1.38 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 51 G 8.47 4.01 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 0.00 0.00 0.00 52 L 7.96 4.59 0.00 1.95 1.69 1.07 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 53 W 8.66 5.15 0.00 3.43 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 54 I 9.15 4.98 2.09 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 1.38 0.93 1.02 0.00 0.00 55 C 8.95 5.60 0.00 2.73 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 56 I 9.27 5.20 2.23 0.00 0.00 1.00 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 1.13 1.10 0.00 0.00 57 M 9.02 5.24 0.00 2.16 1.99 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.52 0.00 58 E 9.23 4.82 0.00 2.10 1.90 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 2.37 2.44 0.00 59 G 9.20 4.05 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 0.00 60 D 8.67 5.02 0.00 2.69 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 61 S 7.93 4.46 0.00 3.84 3.80 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 62 L 8.34 4.67 0.00 1.58 1.49 0.93 0.76 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 63 Q 8.47 4.36 0.00 2.03 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.82 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 64 E 8.35 4.25 0.00 2.11 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 2.28 2.27 0.00 65 R 8.25 4.12 0.00 1.82 2.00 0.00 2.96 0.00 0.00 2.79 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 66 T 8.02 4.60 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 1.25 0.00 0.00 67 Y 8.47 4.71 0.00 2.81 3.03 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 68 N 7.92 4.32 0.00 2.74 2.66 0.00 0.00 6.68 8.09 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 69 H 7.94 4.91 0.00 3.06 3.08 0.00 5.47 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 I 7.86 4.33 1.58 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.72 0.40 0.00 0.00 71 A 8.29 5.11 1.12 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 0.00 0.00 0.00 72 F 9.48 4.72 0.00 3.05 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 73 Q 8.71 4.92 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.77 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 74 I 8.64 4.82 1.96 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 1.32 0.58 0.71 0.00 0.00 75 Q 8.80 4.81 0.00 2.17 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.82 0.00 0.00 0.00 0.00 0.00 2.46 2.45 0.00 76 S 8.55 4.22 0.00 4.01 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 77 E 8.13 4.14 0.00 1.98 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 2.32 2.40 0.00 78 E 8.26 4.29 0.00 2.24 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 2.33 2.37 0.00 79 V 7.34 3.68 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 1.07 0.00 0.00 1.02 0.00 0.00 80 D 8.07 4.38 0.00 2.72 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 81 E 8.05 3.90 0.00 1.91 1.75 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 2.32 2.33 0.00 82 Y 8.39 3.99 0.00 3.04 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 83 T 7.96 3.81 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 1.22 0.00 0.00 84 E 8.02 3.88 0.00 2.07 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 0.00 2.25 2.34 0.00 85 R 7.54 3.83 0.00 1.84 1.83 0.00 2.83 0.00 0.00 2.69 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.68 0.00 86 I 7.86 3.62 1.74 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.97 0.45 0.00 0.00 87 K 8.43 3.89 0.00 1.95 1.93 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.47 7.81 88 A 7.87 4.05 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 89 L 7.64 4.22 0.00 1.88 1.87 1.08 0.89 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 90 G 7.72 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 91 V 7.48 4.13 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 0.60 0.00 0.00 1.13 0.00 0.00 92 E 8.74 4.34 0.00 2.17 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 2.72 2.51 0.00 93 M 8.83 5.40 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.62 0.00 94 K 8.72 4.65 0.00 1.69 1.72 0.00 1.50 0.00 0.00 1.56 0.00 0.00 2.92 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.45 1.38 7.81 95 P 0.00 4.53 0.00 2.04 2.02 0.00 3.69 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 96 E 8.53 4.09 0.00 1.97 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 2.33 2.36 0.00 97 R 8.24 4.50 0.00 1.74 1.85 0.00 2.86 0.00 0.00 3.19 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.47 0.00 98 P 0.00 4.40 0.00 2.06 1.96 0.00 3.61 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 1.98 2.05 0.00 99 R 8.21 4.88 0.00 2.19 1.89 0.00 3.04 0.00 0.00 3.48 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.65 0.00 100 V 9.22 4.43 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 0.84 0.00 0.00 0.99 0.00 0.00 101 Q 8.39 4.32 0.00 2.17 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.62 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 102 G 9.16 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 0.00 103 E 7.28 4.60 0.00 2.14 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 0.00 2.46 2.29 0.00 104 G 8.47 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 0.00 105 R 8.30 4.42 0.00 1.78 1.89 0.00 3.29 0.00 0.00 3.36 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.63 0.00 106 S 8.48 5.20 0.00 3.83 3.50 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 0.00 107 I 8.63 4.74 1.95 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 1.29 0.91 1.01 0.00 0.00 108 Y 8.73 5.40 0.00 2.93 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 0.00 109 F 8.75 5.25 0.00 3.39 3.16 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 0.00 0.00 0.00 110 Y 9.39 5.61 0.00 2.86 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 0.00 111 D 8.63 3.96 0.00 1.92 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.10 4.90 0.00 3.02 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 0.00 113 D 8.47 4.85 0.00 2.64 2.57 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 0.00 114 N 8.38 4.47 0.00 2.86 2.86 0.00 0.00 7.16 8.16 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 0.00 115 H 7.86 4.66 0.00 3.32 2.84 0.00 5.62 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 L 8.37 4.45 0.00 1.69 1.44 0.44 1.02 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 0.00 117 F 9.14 4.99 0.00 2.10 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 0.00 118 E 8.86 4.81 0.00 1.16 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 1.96 1.72 0.00 119 L 9.09 5.00 0.00 1.61 1.46 0.26 0.88 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 0.00 120 H 9.32 5.24 0.00 3.25 3.13 0.00 5.76 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 0.00 121 A 8.15 5.55 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 0.00 122 G 7.42 4.07 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 0.00 0.00 0.00 123 T 8.79 4.70 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 1.22 0.00 0.00 124 L 8.27 3.99 0.00 1.78 1.70 0.92 0.86 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 0.00 125 E 8.18 3.96 0.00 2.10 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 2.41 2.48 0.00 126 E 7.91 3.98 0.00 2.11 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 0.00 2.34 2.33 0.00 127 R 7.60 4.27 0.00 1.84 2.14 0.00 3.16 0.00 0.00 3.10 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 128 L 8.13 4.46 0.00 1.63 1.69 0.92 0.75 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 0.00 129 K 7.76 4.19 0.00 1.89 1.72 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.35 7.81 130 R 7.65 3.70 0.00 1.77 1.90 0.00 3.32 0.00 0.00 3.27 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.91 0.00 *131 Y 7.89 4.19 0.00 2.33 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.