NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 G 3.9773 8.2133 109.7379 44.7061 0.0000 174.1511 9 P 4.0021 0.0000 0.0000 64.9437 31.0944 177.2349 10 A 3.8862 8.0837 119.4066 55.1676 18.8025 178.2687 11 Y 3.8974 8.0627 117.3760 60.9777 38.7375 178.2800 12 A 3.6192 8.2176 121.4976 54.9798 18.4813 179.6948 13 R 3.7126 7.8228 116.4532 59.4877 30.1044 179.2645 14 L 3.8081 7.6352 118.5314 57.4941 41.4627 179.4004 15 L 3.4371 7.6758 120.5768 57.9529 41.9984 178.2819 16 D 4.0734 7.7272 117.9763 57.3852 41.0461 178.3846 17 R 3.7479 7.7481 118.6324 59.2820 30.0765 178.3599 18 A 3.8942 8.0387 120.8209 55.2030 18.3273 179.7802 19 V 3.2044 7.6441 116.8511 66.0674 31.2779 178.4486 20 R 3.8837 7.5654 116.7195 59.1802 30.4931 178.7480 21 I 3.8373 7.8448 119.5846 64.1799 36.8357 177.9433 22 L 4.5074 8.2533 119.3602 55.1250 41.7624 178.6913 23 A 4.2177 8.3974 120.6527 54.2051 18.3419 178.0904 24 V 4.3386 7.4057 114.7363 62.9458 34.0157 175.9622 25 R 4.7427 7.5518 116.9080 54.2201 33.8016 174.0795 26 D 4.7915 8.8153 122.6066 54.5791 41.6431 175.5035 27 H 5.1531 8.5955 119.6812 53.0080 32.8032 174.1068 28 S 3.8758 7.9136 117.2509 57.7651 64.6906 175.0662 29 E 3.8430 8.9279 123.8449 59.8120 29.3263 179.3667 30 Q 3.9308 7.9068 117.3455 58.8861 28.7765 178.4154 31 E 3.8975 8.2882 119.8660 59.3034 29.4910 179.0780 32 L 3.8664 8.0327 120.3281 58.2265 42.1312 178.9519 33 R 3.9049 8.1097 118.0758 59.5837 29.8294 179.0119 34 R 3.8991 7.6321 116.0523 59.4430 30.4831 179.0276 35 K 4.1616 8.0775 118.0781 59.3516 31.8506 179.5528 36 L 4.1274 8.2328 118.7698 56.9987 41.6972 178.3321 37 A 4.5096 7.8847 117.6096 51.1561 19.5862 177.1790 38 A 4.2126 6.8424 119.9629 50.8134 19.2760 175.9788 39 P 4.4670 0.0000 0.0000 62.9589 31.8875 176.2801 40 I 4.2565 8.0439 122.3913 61.0186 38.8754 174.6969 41 M 4.5796 8.5665 124.8749 54.3153 33.5987 176.1060 42 G 4.0982 8.6469 110.8210 44.4895 0.0000 172.9492 43 K 3.9728 8.8217 117.5124 58.6832 32.1890 177.2350 44 N 4.8818 8.3435 115.9216 52.9957 40.0152 174.8223 45 G 3.9191 7.7632 102.8973 42.7302 0.0000 171.4407 46 P 4.6547 0.0000 0.0000 63.0938 32.2331 175.5447 47 E 4.6161 10.0234 126.1611 54.3550 31.8807 174.4704 48 E 4.3234 8.8352 126.9919 55.6903 30.6844 175.7824 49 I 4.2738 8.2468 124.3593 59.2320 40.2635 175.7807 50 D 4.5918 8.5602 130.7514 53.0987 39.8743 175.1898 51 A 4.7412 7.4281 123.0233 51.0157 21.3111 177.9048 52 T 4.4697 8.7672 112.5487 60.4850 71.7196 176.0606 53 A 4.1835 8.5736 122.9039 55.5061 18.2046 179.4185 54 E 3.9275 8.2698 117.1477 59.5063 29.6947 178.5081 55 D 4.4259 8.1553 118.8104 57.7114 40.8553 178.3627 56 Y 4.0576 7.6854 116.7729 61.3494 37.8816 178.7666 57 E 4.0887 8.5498 119.3359 59.5040 29.5468 179.6852 58 R 4.0379 8.4193 118.3224 59.2384 30.0906 179.2976 59 V 3.6768 8.0374 117.9818 66.0918 31.5745 177.8993 60 I 3.7639 8.2408 119.7231 64.5835 36.9282 178.2108 61 A 4.1286 8.5412 121.7323 54.8977 18.2459 179.3548 62 W 4.1485 8.5834 126.8787 61.0184 30.7774 177.8893 63 C 4.5176 8.7804 116.7463 63.2739 27.4378 175.9309 64 H 4.3517 8.3826 117.6650 58.9618 28.1431 177.3112 65 E 3.8477 8.1755 119.8241 59.2553 29.4623 177.6952 66 H 4.4640 7.7531 112.7218 55.0676 28.9767 175.9765 67 G 3.8536 7.6776 109.1079 45.7877 0.0000 174.5281 68 Y 4.1795 8.0623 118.3925 59.2895 38.2621 175.8742 69 L 4.7749 7.1681 117.8390 52.8928 44.7536 176.4526 70 D 4.4854 7.9871 114.5546 52.8894 42.9061 176.1580 71 D 4.4469 8.3756 128.1866 56.9538 40.8637 178.4823 72 S 4.1721 8.2066 114.6822 61.3034 63.0633 176.4814 73 R 3.8826 8.2400 121.9209 59.0690 29.8384 177.9377 74 F 4.0432 8.5402 121.0518 61.4867 39.2572 177.4905 75 V 3.7411 8.4241 118.6113 64.7384 31.1818 177.9100 76 A 4.0243 7.8186 121.6915 55.1336 18.2566 179.8917 77 R 3.8312 8.0043 116.3646 59.1649 30.0088 179.1186 78 F 3.8239 8.2415 120.6663 61.2997 39.3589 177.1465 79 I 3.7919 8.2979 119.5738 64.3917 37.0350 178.2433 80 A 3.9207 7.9398 121.4561 55.1223 18.0972 179.6606 81 S 3.9183 8.0054 111.5007 61.6695 62.6602 176.5999 82 R 3.9037 7.8420 121.1877 59.1540 29.7824 179.2216 83 S 4.6790 8.2457 115.5564 61.2327 62.7560 176.8463 84 R 4.0352 7.7880 120.1455 58.1097 29.7927 178.0624 85 K 4.4330 7.5054 116.7885 55.8249 32.2030 176.9608 86 G 3.9067 7.9081 107.0933 46.1981 0.0000 173.2456 87 Y 4.5332 7.7234 116.2437 55.8608 39.9615 175.6960 88 G 3.3648 7.9445 111.9562 42.6483 0.0000 172.6296 89 P 3.6954 0.0000 0.0000 65.3428 30.5254 178.8980 90 A 3.8333 7.8759 119.6203 54.9050 18.2443 179.7780 91 R 3.7501 7.6251 116.6802 59.6445 30.2945 178.4725 92 I 3.8266 7.6315 119.5877 64.6110 37.0778 178.6333 93 R 3.8963 8.2150 119.0756 59.2905 29.8995 178.9554 94 Q 3.9369 7.7760 118.8924 59.1509 28.9456 178.0414 95 E 3.9851 8.3633 119.7418 59.3876 29.4850 179.3589 96 L 3.7464 8.1529 119.2500 57.4237 41.5343 178.9977 97 N 4.2165 8.1045 117.1443 56.8769 38.7039 176.7842 98 Q 3.9613 7.8363 118.0482 58.8481 28.8870 178.4021 99 K 4.2638 7.4642 116.1463 56.0321 32.2197 177.6109 100 G 3.8159 7.9217 107.6211 45.8617 0.0000 173.8268 101 I 3.8821 7.4170 121.0656 60.2478 37.7726 177.0553 102 S 4.2658 8.5001 120.5292 58.3505 64.8400 175.4498 103 R 3.9028 8.5343 123.4095 59.6059 29.8907 178.7971 104 E 3.9667 8.1652 117.8870 59.2677 29.5570 178.9234 105 A 4.0224 8.0869 120.7836 55.3980 18.3791 179.8509 106 T 3.8641 8.0373 114.1562 66.9888 68.5320 176.8848 107 E 4.0142 8.6150 120.9230 58.9906 29.4304 179.1255 108 K 3.8558 8.0659 119.5519 59.7685 32.2003 178.7396 109 A 4.0729 8.1539 120.7595 55.3100 18.4045 179.5443 110 M 4.1610 8.5734 117.8570 58.5718 31.8229 178.9234 111 R 4.0493 8.0645 117.9795 59.5870 30.3596 178.1756 112 E 4.1310 8.2938 117.1904 59.0338 29.5233 178.5418 113 A 4.0588 8.2147 120.5746 53.8150 18.6504 177.4753 114 D 4.3603 7.6820 112.9581 54.9320 40.4826 173.8311 115 I 3.5289 7.4898 116.2227 60.9730 37.8047 177.1185 116 D 4.5519 7.9269 123.7000 52.7626 39.7010 176.8327 117 W 4.3515 8.2090 125.0202 59.1178 29.3764 177.3117 118 A 4.2320 8.5280 121.4765 54.5280 17.8383 179.3769 119 A 3.8559 7.9853 119.0482 55.2684 18.4071 179.8755 120 L 3.8989 7.9319 117.2824 57.7823 41.7097 179.5400 121 A 2.8226 8.0495 121.0380 54.8171 18.1398 179.5675 122 R 3.6079 7.9235 117.3247 59.4626 30.0703 178.1923 123 D 4.2364 8.0331 117.6700 57.4741 41.1701 178.0383 124 Q 4.0721 8.2415 118.4633 59.1338 28.6674 179.0833 125 A 4.3143 8.1102 121.8409 55.4999 18.4704 179.8466 126 T 4.1794 8.2581 110.1485 64.1934 68.7004 176.8050 127 R 3.8203 7.9203 120.9194 59.0101 30.1083 177.8348 128 K 3.8789 7.6117 117.6774 58.0711 32.4989 177.2537 129 Y 4.6225 8.2248 113.6140 56.3959 39.1655 176.4734 130 G 4.0217 8.8435 106.6117 45.1693 0.0000 172.0551 131 E 4.6742 8.0523 118.1002 53.1302 32.5671 173.0403 132 P 4.3227 0.0000 0.0000 62.7533 31.6593 175.9847 133 L 4.2828 8.0524 119.0058 53.9520 42.1739 175.5755 134 P 4.4661 0.0000 0.0000 63.4124 31.6967 176.5194 135 T 4.5592 8.3403 110.2803 61.2016 70.7620 175.5494 136 V 3.7626 7.6414 123.6016 61.4029 33.1954 175.9264 137 F 3.9792 9.0013 124.6497 61.9272 39.1127 177.7896 138 S 3.9407 8.1867 112.8736 61.4118 62.7579 176.1535 139 E 3.8423 7.9760 121.6029 58.9921 29.3556 178.7988 140 K 3.7258 7.8198 119.6000 59.7634 32.0782 179.1675 141 V 3.6857 7.1989 113.7089 63.4315 31.3790 178.7706 142 K 3.9953 7.7171 118.1215 59.2859 31.8480 179.4729 143 I 3.4184 7.6746 120.0821 64.3447 36.6298 178.3601 144 Q 4.1803 8.2507 118.9023 59.1056 28.5193 178.8995 145 R 4.0998 8.1526 119.5734 59.4844 30.0969 178.0622 146 F 4.3590 8.4635 120.2305 61.6739 39.4765 177.1931 147 L 3.9404 8.3291 118.4209 57.5857 41.4360 179.4407 148 L 4.2924 8.3001 120.6273 57.6918 41.4120 179.2335 149 Y 3.8840 8.3919 115.5726 60.9476 38.1012 178.4081 150 R 4.2466 7.8917 117.8190 56.8680 30.1986 177.8893 151 G 3.8888 7.9274 107.3368 45.0133 0.0000 173.4527 152 Y 4.3366 7.6301 118.3178 57.7531 38.6918 175.7368 153 L 4.3400 8.8854 123.5855 54.3028 43.0038 177.8950 154 M 4.0396 8.8587 121.1794 59.1387 31.6024 179.0000 155 E 4.0335 8.1734 116.7090 59.6606 29.4163 178.7535 156 D 4.5840 8.2658 118.9237 56.8538 40.9166 178.0692 157 I 4.2349 7.6928 118.3351 61.8074 37.5884 177.2675 158 Q 4.0604 7.8907 121.0097 58.7086 28.8772 176.9679 159 D 5.0481 7.9013 113.3952 53.9389 41.7288 176.8434 160 I 3.6774 7.7090 121.9431 63.6586 37.2870 176.2263 161 W 4.3175 8.4070 123.5329 56.7583 29.0736 175.9551 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 8 G 8.21 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 0.00 0.00 0.00 9 P 0.00 4.00 0.00 2.23 2.09 0.00 3.60 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 2.10 2.20 0.00 10 A 8.08 3.89 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 11 Y 8.06 3.90 0.00 2.94 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.22 3.62 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 13 R 7.82 3.71 0.00 1.88 1.88 0.00 3.22 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.75 0.00 14 L 7.64 3.81 0.00 1.61 1.43 -0.02 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.68 3.44 0.00 0.76 1.14 0.10 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 16 D 7.73 4.07 0.00 2.63 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 17 R 7.75 3.75 0.00 1.83 1.97 0.00 3.11 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 18 A 8.04 3.89 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 19 V 7.64 3.20 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 0.75 0.00 0.00 0.43 0.00 0.00 20 R 7.57 3.88 0.00 2.01 1.94 0.00 3.19 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 1.62 1.72 0.00 21 I 7.84 3.84 1.96 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 1.49 0.93 0.72 0.00 0.00 22 L 8.25 4.51 0.00 1.85 1.97 1.08 0.57 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 A 8.40 4.22 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 0.00 0.00 0.00 0.00 0.00 0.00 24 V 7.41 4.34 2.14 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 0.88 0.00 0.00 0.98 0.00 0.00 25 R 7.55 4.74 0.00 2.05 1.82 0.00 3.26 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 26 D 8.82 4.79 0.00 2.82 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 27 H 8.60 5.15 0.00 3.02 3.10 0.00 5.90 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 S 7.91 3.88 0.00 3.60 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 29 E 8.93 3.84 0.00 2.06 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 2.32 2.39 0.00 30 Q 7.91 3.93 0.00 2.17 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.67 0.00 0.00 0.00 0.00 0.00 2.39 2.34 0.00 31 E 8.29 3.90 0.00 2.16 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 2.28 2.18 0.00 32 L 8.03 3.87 0.00 1.71 1.78 0.87 1.01 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 33 R 8.11 3.90 0.00 2.00 1.92 0.00 3.34 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.88 0.00 34 R 7.63 3.90 0.00 2.01 1.99 0.00 3.14 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 35 K 8.08 4.16 0.00 1.88 1.84 0.00 1.71 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.59 1.63 7.81 36 L 8.23 4.13 0.00 1.91 1.94 1.03 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 37 A 7.88 4.51 1.11 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 38 A 6.84 4.21 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 39 P 0.00 4.47 0.00 1.95 2.00 0.00 3.67 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 2.03 2.13 0.00 40 I 8.04 4.26 1.86 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 1.22 0.88 0.89 0.00 0.00 41 M 8.57 4.58 0.00 1.89 1.97 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.47 0.00 42 G 8.65 4.10 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 0.00 0.00 0.00 43 K 8.82 3.97 0.00 1.75 1.88 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.76 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.36 7.81 44 N 8.34 4.88 0.00 2.62 2.74 0.00 0.00 7.24 7.98 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 45 G 7.76 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 46 P 0.00 4.65 0.00 1.95 2.02 0.00 3.63 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 2.03 2.09 0.00 47 E 10.02 4.62 0.00 2.07 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 2.18 2.24 0.00 48 E 8.84 4.32 0.00 1.89 1.87 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 2.30 2.25 0.00 49 I 8.25 4.27 1.84 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.81 0.92 0.00 0.00 50 D 8.56 4.59 0.00 2.67 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 51 A 7.43 4.74 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.77 4.47 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 53 A 8.57 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 54 E 8.27 3.93 0.00 2.08 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 2.39 2.43 0.00 55 D 8.16 4.43 0.00 2.81 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 56 Y 7.69 4.06 0.00 3.27 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 57 E 8.55 4.09 0.00 2.20 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 2.65 2.56 0.00 58 R 8.42 4.04 0.00 2.25 2.09 0.00 3.04 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.76 0.00 59 V 8.04 3.68 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.57 0.00 0.00 60 I 8.24 3.76 2.12 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 1.85 0.91 1.06 0.00 0.00 61 A 8.54 4.13 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 62 W 8.58 4.15 0.00 3.70 3.44 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 0.00 0.00 0.00 0.00 63 C 8.78 4.52 0.00 3.33 3.13 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 0.00 0.00 0.00 0.00 64 H 8.38 4.35 0.00 3.40 3.34 0.00 5.63 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 E 8.18 3.85 0.00 1.86 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 0.00 1.83 2.17 0.00 66 H 7.75 4.46 0.00 2.34 3.00 0.00 5.92 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 G 7.68 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 0.00 0.00 0.00 68 Y 8.06 4.18 0.00 3.24 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 69 L 7.17 4.77 0.00 1.34 1.34 0.80 0.97 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 70 D 7.99 4.49 0.00 2.68 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 71 D 8.38 4.45 0.00 2.84 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 72 S 8.21 4.17 0.00 4.08 4.16 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 73 R 8.24 3.88 0.00 1.99 2.24 0.00 3.13 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 74 F 8.54 4.04 0.00 3.22 3.24 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 0.00 75 V 8.42 3.74 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 1.14 0.00 0.00 1.03 0.00 0.00 76 A 7.82 4.02 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 77 R 8.00 3.83 0.00 1.87 1.91 0.00 3.13 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.77 0.00 78 F 8.24 3.82 0.00 2.72 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 79 I 8.30 3.79 1.98 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 1.67 0.76 1.14 0.00 0.00 80 A 7.94 3.92 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 81 S 8.01 3.92 0.00 3.85 3.70 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 82 R 7.84 3.90 0.00 1.70 1.90 0.00 3.02 0.00 0.00 2.51 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.90 0.00 83 S 8.25 4.68 0.00 3.88 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 0.00 84 R 7.79 4.04 0.00 1.95 2.01 0.00 3.28 0.00 0.00 3.18 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.77 0.00 85 K 7.51 4.43 0.00 1.96 1.91 0.00 1.83 0.00 0.00 1.80 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.56 7.81 86 G 7.91 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 87 Y 7.72 4.53 0.00 3.23 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 88 G 7.94 3.36 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 0.00 89 P 0.00 3.70 0.00 1.73 1.54 0.00 3.19 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.44 0.00 90 A 7.88 3.83 1.24 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 0.00 0.00 0.00 91 R 7.63 3.75 0.00 1.85 1.98 0.00 3.18 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.72 0.00 92 I 7.63 3.83 1.81 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.53 1.13 0.00 0.00 93 R 8.22 3.90 0.00 1.82 1.93 0.00 3.11 0.00 0.00 3.03 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 94 Q 7.78 3.94 0.00 2.04 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.50 0.00 95 E 8.36 3.99 0.00 2.39 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 0.00 2.34 2.47 0.00 96 L 8.15 3.75 0.00 1.79 1.66 1.03 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 97 N 8.10 4.22 0.00 2.94 2.91 0.00 0.00 7.17 7.69 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 98 Q 7.84 3.96 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 99 K 7.46 4.26 0.00 1.51 1.62 0.00 1.61 0.00 0.00 1.87 0.00 0.00 3.10 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.49 1.35 7.81 100 G 7.92 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 0.00 101 I 7.42 3.88 1.94 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 1.23 0.88 0.94 0.00 0.00 102 S 8.50 4.27 0.00 4.04 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 0.00 103 R 8.53 3.90 0.00 1.89 1.96 0.00 3.17 0.00 0.00 3.33 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 104 E 8.17 3.97 0.00 2.05 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 2.40 2.38 0.00 105 A 8.09 4.02 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 0.00 106 T 8.04 3.86 4.41 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 1.24 0.00 0.00 107 E 8.61 4.01 0.00 1.96 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 2.51 2.46 0.00 108 K 8.07 3.86 0.00 1.92 2.05 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.49 7.81 109 A 8.15 4.07 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 110 M 8.57 4.16 0.00 2.14 2.33 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.91 0.00 111 R 8.06 4.05 0.00 1.89 2.25 0.00 3.34 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.75 0.00 112 E 8.29 4.13 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 2.36 2.41 0.00 113 A 8.21 4.06 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 0.00 114 D 7.68 4.36 0.00 2.84 2.66 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 0.00 0.00 0.00 0.00 115 I 7.49 3.53 0.78 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 0.88 0.36 -0.70 0.00 0.00 116 D 7.93 4.55 0.00 2.62 2.45 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 0.00 117 W 8.21 4.35 0.00 3.69 3.54 0.00 0.00 0.00 0.00 0.00 0.00 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 8.53 4.23 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 0.00 119 A 7.99 3.86 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 0.00 120 L 7.93 3.90 0.00 2.05 1.90 0.72 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 121 A 8.05 2.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 R 7.92 3.61 0.00 1.85 1.98 0.00 2.98 0.00 0.00 3.00 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.42 0.00 123 D 8.03 4.24 0.00 2.80 2.81 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 0.00 0.00 0.00 124 Q 8.24 4.07 0.00 2.31 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.67 2.74 0.00 125 A 8.11 4.31 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 0.00 126 T 8.26 4.18 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 1.15 0.00 0.00 127 R 7.92 3.82 0.00 1.89 2.22 0.00 3.25 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 128 K 7.61 3.88 0.00 1.35 1.17 0.00 0.95 0.00 0.00 0.61 0.00 0.00 2.26 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.30 0.78 7.81 129 Y 8.22 4.62 0.00 3.00 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 0.00 130 G 8.84 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 0.00 131 E 8.05 4.67 0.00 1.83 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 2.15 2.24 0.00 132 P 0.00 4.32 0.00 2.23 2.07 0.00 3.82 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 2.01 2.03 0.00 133 L 8.05 4.28 0.00 1.37 1.62 0.89 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 4.47 0.00 2.12 2.39 0.00 3.71 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 135 T 8.34 4.56 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 1.40 0.00 0.00 136 V 7.64 3.76 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 0.89 0.00 0.00 0.97 0.00 0.00 137 F 9.00 3.98 0.00 3.10 3.12 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 0.00 138 S 8.19 3.94 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 0.00 139 E 7.98 3.84 0.00 2.15 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 2.41 2.36 0.00 140 K 7.82 3.73 0.00 1.43 1.51 0.00 0.61 0.00 0.00 0.96 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.53 0.21 7.81 141 V 7.20 3.69 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 0.03 0.00 0.00 0.66 0.00 0.00 142 K 7.72 4.00 0.00 1.85 1.85 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.59 7.81 143 I 7.67 3.42 2.21 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.29 0.51 0.94 0.00 0.00 144 Q 8.25 4.18 0.00 2.23 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.77 0.00 0.00 0.00 0.00 0.00 2.51 2.48 0.00 145 R 8.15 4.10 0.00 2.03 2.15 0.00 3.10 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.80 0.00 146 F 8.46 4.36 0.00 3.26 3.48 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 0.00 147 L 8.33 3.94 0.00 2.02 1.85 0.93 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 148 L 8.30 4.29 0.00 1.94 1.72 0.98 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 149 Y 8.39 3.88 0.00 3.07 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 0.00 150 R 7.89 4.25 0.00 1.85 1.85 0.00 2.83 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.05 0.00 151 G 7.93 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 0.00 152 Y 7.63 4.34 0.00 3.27 2.90 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 0.00 0.00 0.00 153 L 8.89 4.34 0.00 1.72 1.71 0.85 0.65 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 0.00 154 M 8.86 4.04 0.00 2.05 2.16 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 2.71 2.62 0.00 155 E 8.17 4.03 0.00 1.94 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 2.34 2.49 0.00 156 D 8.27 4.58 0.00 3.01 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 0.00 157 I 7.69 4.23 1.99 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 1.56 1.42 1.16 0.00 0.00 158 Q 7.89 4.06 0.00 2.34 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.99 0.00 0.00 0.00 0.00 0.00 2.43 2.40 0.00 159 D 7.90 5.05 0.00 2.71 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 0.00 160 I 7.71 3.68 1.96 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 1.12 0.39 -0.01 0.00 0.00 161 W 8.41 4.32 0.00 3.38 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