NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 M 4.4085 8.4045 120.3561 54.7714 33.6102 175.5333 17 K 4.1447 8.4386 127.4651 54.8647 33.0949 174.9155 18 K 5.1515 9.6025 124.5600 54.0207 35.9145 175.0736 19 R 5.0870 9.1974 122.3896 54.3579 34.2886 174.3591 20 A 5.5065 9.0410 121.8779 50.4396 22.5554 175.1307 21 A 5.1492 9.0481 120.6729 50.6816 23.5579 174.9278 22 C 4.9945 8.5046 118.9088 58.0823 34.9585 173.5669 23 L 4.1570 9.1450 127.6471 54.1807 42.3644 175.7099 24 C 4.9142 8.2541 123.0302 58.5046 29.6502 173.0151 25 F 5.5398 9.1697 123.6357 55.8612 40.6933 177.3176 26 R 3.8858 8.9085 122.7380 59.0276 30.6312 175.9847 27 S 4.5897 7.7620 111.9455 56.9827 65.4798 174.7004 28 E 4.1319 8.6105 117.9108 58.3929 29.2352 178.2859 29 R 3.9272 7.8528 118.5020 57.1680 30.2890 176.2251 30 E 3.0862 7.6675 116.1062 57.1083 27.7587 175.5084 31 D 4.5968 8.0010 119.2130 55.8335 42.0375 176.2663 32 E 5.3848 8.2308 119.7708 54.3505 33.0578 174.6304 33 V 5.0557 9.5135 126.2852 59.8376 35.0190 174.2236 34 L 4.5204 8.5045 125.4272 53.8930 42.6643 175.7911 35 L 4.8841 8.5658 126.3267 53.3905 44.7691 175.8644 36 V 5.4713 8.5869 113.3064 59.4632 35.7719 175.5466 37 S 4.4078 8.8564 117.5324 57.9811 63.5613 174.1502 38 S 4.3932 8.5857 117.3244 58.4521 62.7864 175.3600 39 S 4.2770 8.7135 120.3258 60.6983 63.6595 175.9075 40 R 3.7988 7.9878 119.4950 58.4136 30.2000 176.2454 41 Y 4.4874 7.8971 118.9583 55.0203 38.5852 174.4261 42 P 4.3852 0.0000 0.0000 64.2769 31.6459 177.5393 43 D 4.3787 7.8830 115.8795 55.1534 41.5078 176.3729 44 R 4.4400 7.8874 119.5847 54.9236 31.9728 175.4611 45 W 5.3917 8.5911 121.3462 55.2010 31.8663 175.0415 46 I 4.8315 9.0542 115.7753 59.3207 41.3354 173.9180 47 V 4.4016 8.5470 123.0755 61.4799 32.3862 173.9680 48 P 4.5534 0.0000 0.0000 62.9275 32.6787 175.7805 49 G 4.2454 8.0292 107.3672 47.2834 0.0000 171.2301 50 G 4.4769 7.1760 106.1990 45.9115 0.0000 173.0432 51 G 4.2475 8.6991 106.9205 46.2600 0.0000 173.5355 52 M 4.7308 8.1342 121.1242 54.5621 33.3627 176.4636 53 E 4.4317 9.5023 122.4549 54.6598 31.7275 174.4307 54 P 4.3325 0.0000 0.0000 64.2122 31.6849 177.0623 55 E 3.7886 8.8174 119.6468 56.6395 27.6315 174.0034 56 E 4.2660 7.7279 120.6256 55.4394 30.6722 175.6445 57 E 4.4250 8.3599 124.6403 54.9260 31.9900 175.9906 58 P 4.2924 0.0000 0.0000 65.9795 31.4492 179.3329 59 G 2.9104 7.9444 103.9137 47.2814 0.0000 175.7923 60 G 3.5032 7.7767 107.2827 47.5412 0.0000 175.4573 61 A 4.2637 8.4510 124.8378 54.0989 18.3842 179.4361 62 A 3.9075 8.0124 119.3670 55.4292 18.3713 179.9944 63 V 3.4801 7.5768 116.5816 66.1437 31.4862 178.2299 64 R 3.9268 8.0627 118.3707 59.4524 30.0748 178.2998 65 E 4.0027 8.5300 118.7801 59.6643 29.5187 179.8417 66 V 3.6954 7.8678 112.2023 64.0244 31.3992 178.1700 67 Y 4.3203 7.7521 120.8520 60.2210 38.6913 177.7675 68 E 3.9988 8.6268 119.7948 59.4712 29.4545 178.9710 69 E 4.6610 8.8572 118.5384 57.0779 29.9268 177.0959 70 A 4.0348 7.3324 117.4363 50.2702 20.6311 175.7309 71 G 3.3160 7.1410 103.9376 46.0600 0.0000 173.2088 72 V 4.5495 7.3717 119.3237 61.0869 33.3862 174.7594 73 K 4.6798 8.6040 126.5664 55.0059 35.6595 176.1024 74 G 3.9476 7.9456 107.4657 46.4050 0.0000 171.7854 75 K 4.6206 8.3249 121.3020 54.2819 33.8103 176.1646 76 L 4.1558 8.7083 128.5056 55.1682 42.2795 176.6875 77 G 4.4995 8.9540 115.9794 45.7218 0.0000 173.4365 78 R 4.3338 8.6512 119.4490 55.8351 31.2799 176.4918 79 L 3.5448 8.4055 123.0469 54.9343 41.6209 176.2046 80 L 4.1189 9.2235 130.9697 56.9413 42.7990 176.9289 81 G 3.8931 7.1870 105.0718 46.2050 0.0000 171.8914 82 V 4.6743 8.0293 119.8058 61.1380 33.0007 174.4960 83 F 4.9275 9.3002 128.0333 55.6340 41.1855 175.2033 84 E 4.7990 8.6258 120.0792 54.5004 32.3711 174.6821 *91 H 5.0005 8.3108 114.5515 55.6746 29.8737 172.1228 92 R 4.8153 8.1619 118.6868 54.8304 33.8017 173.6796 93 T 5.0274 8.7528 121.6223 62.0265 71.3966 172.8305 94 Y 4.6898 9.3661 125.4589 57.1923 39.5077 174.6657 95 V 4.4991 8.7608 125.8892 61.5218 33.3131 174.4703 96 Y 5.0750 8.9581 125.5417 56.4690 41.2904 174.7887 97 V 5.0175 8.5713 120.7007 61.6784 34.3813 174.3441 98 L 5.1634 8.9971 126.7464 54.0512 46.2667 174.6694 99 T 5.0480 8.8456 122.4377 61.8641 70.0559 174.4196 100 V 4.2178 8.9171 128.6837 63.5098 31.5800 175.7020 101 T 4.6127 9.2547 117.5398 62.2564 71.5489 173.6993 102 E 4.8069 8.0334 121.6674 54.6519 33.4724 173.5096 103 L 5.0461 8.4416 125.7441 52.8614 43.7011 176.2599 104 L 4.2534 8.8145 125.0112 54.4806 41.9585 177.2736 105 E 4.2310 9.0881 123.7289 58.6305 30.0104 176.8582 106 D 4.9285 8.0901 116.8066 51.6577 44.1525 175.1759 107 W 5.0345 7.5845 119.5602 53.6799 32.7369 175.3316 108 E 3.7968 8.8382 117.9440 60.4416 28.6134 178.5889 109 D 4.3552 8.4332 119.6652 56.3617 40.8640 178.9312 110 S 3.7275 6.4598 114.8813 60.4652 61.9747 176.2146 111 V 3.4082 7.0877 119.9163 65.7613 31.2119 177.9182 112 S 4.2649 8.2345 114.5679 60.6006 62.9953 175.4644 113 I 4.3063 7.2873 111.3953 59.1119 38.5106 175.3367 114 G 3.8823 8.0428 108.5284 46.5039 0.0000 173.7162 115 R 4.0550 7.7584 120.0191 56.1561 31.2917 175.6650 116 K 5.1742 9.2089 124.9896 54.8004 35.5857 175.0892 117 R 5.4286 8.6191 116.7959 55.0985 32.9159 174.1250 118 E 4.5014 8.5665 119.1734 54.8525 33.5288 174.1676 119 W 4.9979 8.4314 126.3838 56.6083 30.3375 175.6738 120 F 4.8064 9.5526 122.5291 55.1525 42.6338 174.9839 121 K 4.4397 8.8812 122.1042 56.6390 32.8814 177.8767 122 V 3.7028 8.5018 121.8068 66.6201 31.5224 178.6025 123 E 3.9939 8.2152 117.5145 59.5469 29.3338 178.9599 124 D 4.4301 8.1921 118.3174 57.0853 40.9485 178.3954 125 A 3.4921 8.4729 121.7525 55.1922 18.4245 179.5621 126 I 3.5973 7.9283 118.4326 64.5606 36.9410 178.7807 127 K 3.9509 7.6514 117.5985 59.6912 32.0323 179.6440 128 V 3.8185 7.4954 110.8911 63.7117 31.6512 178.1398 129 L 4.2103 7.8282 119.3217 57.1081 41.4434 178.9478 130 Q 3.9421 7.8717 117.0562 59.3253 28.3696 177.6944 131 C 4.0965 7.9228 119.6632 62.2015 31.7980 173.7871 132 H 4.6831 7.9051 113.7262 55.9550 30.2639 175.1690 133 K 4.5731 8.1327 119.0832 53.5430 32.5546 175.4551 134 P 4.1795 0.0000 0.0000 66.1274 31.3561 178.5198 135 V 3.4826 7.5501 117.3554 65.9850 31.0341 177.3968 136 H 2.5800 7.7762 115.1912 58.4453 28.4726 177.3243 137 A 3.9715 7.8382 122.2696 55.2248 18.1363 179.5006 138 E 3.9598 7.9629 117.0711 59.6155 29.6163 178.8732 139 Y 4.0661 7.3716 116.8725 61.4606 38.0319 179.1318 140 L 4.2175 7.7090 118.3350 57.5105 41.4603 179.4248 141 E 3.9841 8.1812 118.2118 59.4487 29.5681 179.0458 142 K 4.1483 8.5658 118.4864 59.2086 32.2569 178.2476 143 L 4.1794 7.6764 119.9066 58.0202 42.1768 177.3296 144 K 4.3126 7.8845 121.3404 56.7115 32.1458 176.6883 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 16 M 8.40 4.41 0.00 2.04 2.06 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 2.52 2.60 0.00 17 K 8.44 4.14 0.00 1.57 1.68 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.44 1.11 7.81 18 K 9.60 5.15 0.00 1.80 2.00 0.00 1.57 0.00 0.00 1.82 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.62 1.75 7.81 19 R 9.20 5.09 0.00 1.78 1.91 0.00 2.80 0.00 0.00 3.02 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.50 0.00 20 A 9.04 5.51 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 21 A 9.05 5.15 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 22 C 8.50 4.99 0.00 3.00 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 23 L 9.14 4.16 0.00 1.60 1.07 1.09 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 24 C 8.25 4.91 0.00 2.70 2.82 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 25 F 9.17 5.54 0.00 3.03 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 26 R 8.91 3.89 0.00 0.67 1.55 0.00 2.21 0.00 0.00 2.63 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.66 0.00 27 S 7.76 4.59 0.00 3.96 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 28 E 8.61 4.13 0.00 2.07 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 0.00 2.25 2.26 0.00 29 R 7.85 3.93 0.00 1.79 2.09 0.00 3.27 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.55 0.00 30 E 7.67 3.09 0.00 1.68 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 1.47 2.07 0.00 31 D 8.00 4.60 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 32 E 8.23 5.38 0.00 1.95 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 2.38 2.33 0.00 33 V 9.51 5.06 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 0.61 0.00 0.00 34 L 8.50 4.52 0.00 0.48 1.17 -0.52 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 35 L 8.57 4.88 0.00 1.55 1.77 0.18 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 36 V 8.59 5.47 2.31 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 0.84 0.00 0.00 1.02 0.00 0.00 37 S 8.86 4.41 0.00 3.63 3.26 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 38 S 8.59 4.39 0.00 3.94 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 39 S 8.71 4.28 0.00 3.97 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 40 R 7.99 3.80 0.00 1.78 1.54 0.00 3.15 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 41 Y 7.90 4.49 0.00 2.86 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 42 P 0.00 4.39 0.00 1.95 2.01 0.00 3.68 0.00 0.00 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.98 0.00 43 D 7.88 4.38 0.00 2.63 2.67 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 44 R 7.89 4.44 0.00 1.81 1.78 0.00 2.92 0.00 0.00 2.88 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 45 W 8.59 5.39 0.00 3.01 2.93 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 46 I 9.05 4.83 2.00 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 1.42 0.99 0.93 0.00 0.00 47 V 8.55 4.40 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 0.87 0.00 0.00 0.92 0.00 0.00 48 P 0.00 4.55 0.00 2.15 2.16 0.00 3.80 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 2.16 1.90 0.00 49 G 8.03 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 0.00 0.00 0.00 0.00 50 G 7.18 4.48 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 0.00 0.00 0.00 51 G 8.70 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 0.00 0.00 0.00 0.00 52 M 8.13 4.73 0.00 1.88 2.03 0.00 0.00 0.00 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.57 0.00 53 E 9.50 4.43 0.00 1.88 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 2.30 0.00 54 P 0.00 4.33 0.00 2.04 1.99 0.00 3.79 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 2.03 2.12 0.00 55 E 8.82 3.79 0.00 2.12 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 2.20 2.22 0.00 56 E 7.73 4.27 0.00 2.06 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 2.25 2.24 0.00 57 E 8.36 4.43 0.00 1.95 1.77 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 2.34 2.29 0.00 58 P 0.00 4.29 0.00 2.17 1.85 0.00 3.48 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 59 G 7.94 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 0.00 0.00 0.00 60 G 7.78 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 0.00 0.00 0.00 61 A 8.45 4.26 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 62 A 8.01 3.91 1.22 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 63 V 7.58 3.48 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 0.93 0.00 0.00 0.89 0.00 0.00 64 R 8.06 3.93 0.00 1.92 1.99 0.00 3.31 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.77 0.00 65 E 8.53 4.00 0.00 2.19 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 2.56 2.53 0.00 66 V 7.87 3.70 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 0.81 0.00 0.00 1.03 0.00 0.00 67 Y 7.75 4.32 0.00 3.09 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 68 E 8.63 4.00 0.00 2.12 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 2.62 2.73 0.00 69 E 8.86 4.66 0.00 2.02 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 2.61 2.36 0.00 70 A 7.33 4.03 0.97 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 0.00 0.00 71 G 7.14 3.32 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 0.00 0.00 0.00 0.00 72 V 7.37 4.55 2.11 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 0.93 0.00 0.00 0.69 0.00 0.00 73 K 8.60 4.68 0.00 1.75 1.68 0.00 1.93 0.00 0.00 1.73 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.54 7.81 74 G 7.95 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 75 K 8.32 4.62 0.00 1.72 1.77 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.38 7.81 76 L 8.71 4.16 0.00 1.59 1.55 0.84 0.81 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 77 G 8.95 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 0.00 0.00 0.00 0.00 78 R 8.65 4.33 0.00 1.93 2.12 0.00 2.99 0.00 0.00 3.29 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.66 0.00 79 L 8.41 3.54 0.00 1.30 1.53 0.45 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 80 L 9.22 4.12 0.00 1.67 1.88 1.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 81 G 7.19 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 82 V 8.03 4.67 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 0.39 0.00 0.00 0.91 0.00 0.00 83 F 9.30 4.93 0.00 2.99 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 84 E 8.63 4.80 0.00 2.00 1.84 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 2.12 2.24 0.00 *91 H 8.31 5.00 0.00 3.51 3.44 0.00 5.08 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 R 8.16 4.82 0.00 1.80 1.52 0.00 3.14 0.00 0.00 3.29 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.67 0.00 93 T 8.75 5.03 4.34 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 1.21 0.00 0.00 94 Y 9.37 4.69 0.00 3.01 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 95 V 8.76 4.50 1.89 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 0.49 0.00 0.00 -0.37 0.00 0.00 96 Y 8.96 5.08 0.00 2.93 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 97 V 8.57 5.02 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 1.05 0.00 0.00 1.19 0.00 0.00 98 L 9.00 5.16 0.00 1.78 1.47 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 99 T 8.85 5.05 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 1.28 0.00 0.00 100 V 8.92 4.22 2.47 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 0.93 0.00 0.00 1.09 0.00 0.00 101 T 9.25 4.61 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 1.24 0.00 0.00 102 E 8.03 4.81 0.00 2.06 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 2.32 2.38 0.00 103 L 8.44 5.05 0.00 1.56 1.46 1.02 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 104 L 8.81 4.25 0.00 1.46 1.67 1.04 1.09 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 0.00 105 E 9.09 4.23 0.00 2.00 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 2.37 2.42 0.00 106 D 8.09 4.93 0.00 2.65 2.41 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 0.00 107 W 7.58 5.03 0.00 3.24 3.06 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 0.00 0.00 0.00 108 E 8.84 3.80 0.00 2.08 2.25 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 2.39 2.44 0.00 109 D 8.43 4.36 0.00 3.09 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 0.00 110 S 6.46 3.73 0.00 2.72 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 0.00 111 V 7.09 3.41 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 0.82 0.00 0.00 0.82 0.00 0.00 112 S 8.23 4.26 0.00 4.03 4.04 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 0.00 113 I 7.29 4.31 1.81 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 1.38 0.80 0.86 0.00 0.00 114 G 8.04 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 0.00 115 R 7.76 4.05 0.00 1.93 1.91 0.00 3.47 0.00 0.00 3.27 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.74 0.00 116 K 9.21 5.17 0.00 1.77 1.94 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.50 7.81 117 R 8.62 5.43 0.00 1.52 1.77 0.00 2.47 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.35 0.00 118 E 8.57 4.50 0.00 1.85 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 1.47 1.92 0.00 119 W 8.43 5.00 0.00 3.08 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 0.00 120 F 9.55 4.81 0.00 2.79 2.83 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 0.00 0.00 0.00 121 K 8.88 4.44 0.00 2.05 1.80 0.00 1.85 0.00 0.00 1.76 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.56 1.46 7.81 122 V 8.50 3.70 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 1.21 0.00 0.00 1.22 0.00 0.00 123 E 8.22 3.99 0.00 2.05 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 2.43 2.37 0.00 124 D 8.19 4.43 0.00 3.03 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 0.00 125 A 8.47 3.49 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.93 3.60 2.02 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.79 0.95 0.00 0.00 127 K 7.65 3.95 0.00 1.95 1.88 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.57 7.81 128 V 7.50 3.82 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 0.84 0.00 0.00 0.45 0.00 0.00 129 L 7.83 4.21 0.00 1.80 1.61 0.82 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 130 Q 7.87 3.94 0.00 2.18 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.96 0.00 0.00 0.00 0.00 0.00 2.55 2.33 0.00 131 C 7.92 4.10 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 0.00 132 H 7.91 4.68 0.00 3.08 3.24 0.00 5.89 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 K 8.13 4.57 0.00 1.67 1.34 0.00 1.15 0.00 0.00 1.51 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.23 1.28 7.81 134 P 0.00 4.18 0.00 2.21 2.27 0.00 3.71 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 135 V 7.55 3.48 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 1.15 0.00 0.00 0.93 0.00 0.00 136 H 7.78 2.58 0.00 3.14 3.08 0.00 5.70 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 A 7.84 3.97 1.25 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 0.00 138 E 7.96 3.96 0.00 2.22 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 0.00 2.40 2.53 0.00 139 Y 7.37 4.07 0.00 2.91 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 0.00 140 L 7.71 4.22 0.00 1.91 1.78 0.92 1.07 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 0.00 141 E 8.18 3.98 0.00 2.18 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 2.64 2.49 0.00 142 K 8.57 4.15 0.00 1.96 2.15 0.00 1.74 0.00 0.00 1.85 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.55 1.51 7.81 143 L 7.68 4.18 0.00 1.96 1.98 1.02 0.63 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 0.00 144 K 7.88 4.31 0.00 1.98 1.74 0.00 1.93 0.00 0.00 1.99 0.00 0.00 3.08 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.51 1.64 7.81 * Residues marked with a * may have inaccurate shift predictions.