NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2469 8.3044 120.3476 54.8353 33.0512 173.9506 2 D 4.1064 8.6198 125.0770 54.0037 40.9007 175.1292 3 A 4.1122 8.8946 130.3869 55.1997 19.2513 178.1585 4 R 3.8732 7.9445 115.9522 58.6017 29.9247 178.3963 5 I 4.0146 8.7863 120.1735 63.9971 37.6877 177.8752 6 V 3.5317 7.7837 118.4877 66.0760 31.2309 177.1293 7 N 4.2118 8.4099 116.6197 56.8731 38.8651 176.7265 8 A 4.0323 7.6000 120.5782 54.9558 18.3950 179.2511 9 L 3.8747 8.1670 119.4633 58.4281 42.2193 179.0471 10 I 3.8929 8.1861 120.0681 64.4322 36.9854 178.8330 11 G 3.6383 8.0666 106.1414 47.7697 0.0000 175.8438 12 S 4.1871 8.0368 117.7229 61.4373 62.8353 176.6620 13 V 3.5245 8.2150 120.9801 66.9392 30.7286 176.6884 14 Y 4.1763 8.4614 118.4952 61.6511 38.1508 178.0156 15 E 3.8122 9.4001 120.0564 58.8386 29.7603 179.2654 16 T 4.0978 7.4489 115.4510 65.4526 69.2679 176.3471 17 I 3.6979 8.1071 117.6060 62.0262 38.0447 176.4180 18 R 4.9515 7.1979 118.8906 58.7240 30.5557 177.7022 19 D 4.3547 7.3729 116.5135 56.7854 40.9688 178.0372 20 V 3.7515 7.6730 118.5084 64.6243 31.6955 176.4539 21 L 4.4445 7.7820 117.0361 53.5443 42.4431 177.4834 22 G 4.0653 8.1303 106.6589 45.5251 0.0000 173.5483 23 I 4.5422 7.1248 111.8287 58.5968 39.9537 174.6025 24 E 4.3512 8.7089 123.5019 55.3220 30.1545 174.2774 25 P 4.8876 0.0000 0.0000 61.2108 34.7114 174.2630 26 K 4.6321 8.4432 119.5013 54.9195 33.7207 176.0980 27 T 4.5673 8.5540 116.7426 59.8344 69.5582 175.8672 28 G 4.2515 9.3341 117.4183 45.5825 0.0000 175.0202 29 K 4.6627 8.5566 127.9671 53.3606 34.3658 173.2916 30 P 4.4494 0.0000 0.0000 63.6721 31.6939 175.5307 31 S 4.8022 9.6150 118.7974 56.7043 66.3349 172.3851 32 T 5.1942 8.4419 120.4990 61.9400 70.0706 174.1635 33 V 4.6465 8.0594 119.6639 59.4429 34.6123 176.3568 34 S 4.2606 8.6685 116.6742 60.0912 63.5618 173.1673 35 H 4.3848 7.2953 114.4262 55.4047 30.1225 173.1333 36 I 4.0967 8.3579 120.8624 60.0074 36.9374 175.9093 37 E 4.2613 8.6123 126.5675 54.7987 29.1874 176.8579 38 I 3.9657 8.1510 126.5366 60.3407 36.3577 174.1610 39 P 4.5427 0.0000 0.0000 62.9988 31.6344 174.9708 40 H 4.9348 7.5694 114.8867 55.1742 32.8365 172.2122 41 S 4.6498 8.4883 113.1512 58.7508 65.2755 174.0658 42 L 4.9080 7.6916 120.6534 52.7240 43.8959 176.1133 43 V 5.7439 8.4048 116.5418 59.0386 35.8889 174.8248 44 T 5.1813 8.8352 118.7184 61.9834 71.9707 172.8527 45 V 4.9775 8.7637 126.6713 61.2002 34.3142 174.4302 46 I 4.9430 8.8375 127.6589 59.6217 41.3053 174.7993 47 G 4.4160 8.7328 112.8797 44.8155 0.0000 172.1647 48 I 5.3461 8.6742 121.6354 59.4789 40.8152 174.9529 49 T 4.9048 8.9608 115.5684 59.2848 72.8777 175.8746 50 G 4.1363 9.2655 109.4679 43.7318 0.0000 174.8308 51 G 3.9479 9.6688 113.4789 47.5611 0.0000 173.2424 52 I 4.6633 7.4432 110.3387 58.5000 40.8177 174.1633 53 E 5.1611 7.6209 120.2007 54.4964 32.3914 174.8423 54 G 4.1736 8.0614 112.1222 46.5947 0.0000 171.0949 55 S 5.3224 8.3096 115.1128 57.0022 67.8016 172.9069 56 L 4.7923 9.3158 121.3809 53.4938 44.8335 175.1167 57 I 5.0791 8.6223 127.9104 59.6390 39.5962 174.1900 58 Y 4.4385 8.8956 125.6152 57.6213 39.4581 174.8002 59 S 5.6051 9.3310 118.6286 56.6127 65.5672 172.7229 60 F 5.0077 9.1692 121.3693 55.8012 41.7092 173.4043 61 S 4.6364 8.0939 114.0615 57.0298 65.4162 175.1781 62 S 3.9932 8.6377 114.2458 61.5498 61.5399 175.7211 63 E 3.9357 8.1126 121.2669 59.8412 29.5405 178.8288 64 T 4.0049 7.9478 115.3518 66.3270 68.4054 176.6482 65 A 4.3601 8.3582 123.3205 55.3898 18.4352 179.7571 66 L 4.0028 7.8897 117.0498 57.8205 41.6682 179.9319 67 K 3.8606 7.8844 117.8009 58.9457 31.8140 179.6679 68 V 3.8557 7.5304 117.6574 65.9639 31.4175 177.9196 69 V 3.4019 7.6723 117.8497 66.1902 31.2924 177.8327 70 S 4.2292 8.4348 114.6432 61.9090 62.6224 176.9005 71 A 4.1018 7.9095 121.4218 54.6715 18.0637 178.8601 72 M 4.2594 7.5466 116.2403 57.4420 34.3804 178.1653 73 M 4.5279 8.8712 120.8863 55.4292 28.0336 176.7926 74 G 4.0608 8.7676 103.1165 46.0637 0.0000 172.5875 75 G 3.9919 8.2091 105.5728 45.8582 0.0000 175.9238 76 M 4.6007 7.8805 124.6297 55.0528 31.1419 175.9532 77 E 4.7790 8.5152 126.8050 55.6905 32.6910 174.7800 78 Y 4.3487 8.2471 123.3133 56.7901 41.8226 173.2141 79 N 4.8438 8.8452 123.4656 54.8200 40.7257 175.2885 80 Q 4.4537 7.8491 114.6468 55.1551 30.3329 175.9804 81 L 4.5501 8.1243 122.9322 53.8224 41.0115 175.5600 82 D 4.7971 7.7366 123.8716 51.6530 42.9574 176.8457 83 E 3.9451 8.7474 118.3768 59.7598 29.2029 179.3227 84 L 3.8871 8.0710 119.1109 58.3259 42.2086 178.3913 85 A 3.6616 7.7103 119.8204 55.3639 18.1966 179.6851 86 L 3.9514 7.9350 116.9405 58.2370 41.8305 180.0023 87 S 4.1634 8.6370 114.9895 61.2283 62.6174 176.8543 88 A 3.8946 8.1890 123.9126 55.1403 18.0826 179.4258 89 I 3.6564 7.8199 118.5546 64.6689 37.1384 178.9295 90 G 3.5189 8.1609 106.2104 47.7727 0.0000 175.2585 91 E 3.6672 8.0466 122.0000 58.7718 29.6390 178.7268 92 L 4.0637 7.8432 120.4210 58.1797 42.2095 179.3404 93 G 3.0588 7.4660 105.3813 47.4162 0.0000 175.2198 94 N 4.3344 8.7519 120.3815 56.8677 38.8665 177.0243 95 M 4.1049 8.9295 121.2477 58.4088 31.9416 178.8315 96 T 3.8533 7.7048 115.7660 66.5390 68.7587 176.3982 97 A 4.2487 8.3287 122.7183 55.5156 18.4506 179.9243 98 G 3.6558 8.2548 104.0181 47.7040 0.0000 175.8017 99 K 4.0170 7.7666 121.8969 58.7889 32.2969 178.6131 100 L 4.4414 8.6977 122.2674 57.5155 42.0163 178.7921 101 A 3.9617 8.4290 121.0036 55.5459 18.1459 179.2892 102 M 3.9423 7.5991 114.9520 58.6990 32.6240 178.2287 103 K 4.0036 8.2513 118.7709 58.9745 32.2485 179.3497 104 L 4.0811 7.8747 119.5585 57.5924 41.3470 178.9229 105 E 3.9743 8.1874 119.3527 59.5685 29.3564 178.0146 106 H 4.7334 7.6169 112.0966 56.7156 28.9096 175.7628 107 L 4.6241 7.6192 120.2743 54.6503 42.2399 176.6553 108 G 4.3800 7.8696 112.6107 45.8087 0.0000 175.1595 109 K 4.0923 7.8358 119.1647 56.3943 32.5660 175.7519 110 H 5.0471 8.8671 122.2191 53.7036 30.4172 174.4353 111 V 4.6618 8.3657 115.6618 59.6875 35.8102 174.6075 112 D 5.1219 9.2839 122.2029 52.7179 44.1141 175.2389 113 I 4.9776 8.2439 121.2692 59.9594 39.6275 175.2252 114 T 4.5015 8.2505 120.6149 60.2875 68.8346 172.6031 115 P 4.7016 0.0000 0.0000 61.6463 32.3004 174.4799 116 P 4.9056 0.0000 0.0000 63.0244 33.1616 175.7984 117 T 4.5621 8.6071 116.4198 61.9725 72.0096 173.2964 118 V 4.7030 8.5192 127.0563 62.0247 32.8314 175.2461 119 V 4.7587 8.7033 126.7834 61.2781 35.1781 174.1480 120 S 5.6374 7.7779 118.3594 56.2089 66.2485 172.8334 121 G 3.9629 7.9969 107.3492 46.7792 0.0000 172.1454 122 R 4.4828 8.5561 118.9429 55.5667 31.7310 176.3984 123 D 4.3204 8.5536 122.8414 55.1434 37.3532 173.4620 124 L 4.2604 7.4568 119.2328 54.3611 43.1124 177.5349 125 K 4.2414 8.2357 121.9099 55.8558 34.0948 174.9631 126 I 4.3384 8.2813 127.9458 59.3678 38.5466 175.0373 127 K 4.2888 8.6121 127.1046 55.1559 32.9284 175.4419 128 S 5.0906 8.4546 119.6792 56.4207 65.3896 172.4995 129 F 4.6590 9.1302 121.4869 56.8476 41.5658 175.9249 130 G 4.4507 9.0305 109.7788 45.1475 0.0000 172.9735 131 V 4.0001 8.0808 117.1543 61.6606 33.0188 175.2962 132 I 5.0387 8.2534 122.0644 59.4729 41.2466 173.8123 133 L 4.8506 8.4654 127.5460 53.1017 44.7358 174.6767 134 K 4.6882 9.5618 128.7175 54.5735 34.8785 174.7391 135 L 4.8156 8.6290 128.7212 52.7026 45.0480 173.4068 136 P 4.8249 0.0000 0.0000 62.7076 33.1922 175.2642 137 I 5.1029 8.8082 122.0829 59.7242 41.6591 174.4553 138 S 5.0477 8.8256 121.5764 57.4014 65.1460 173.8370 139 V 3.7395 9.7588 123.9139 64.0147 32.5970 175.4771 140 F 4.9369 8.8303 115.0322 59.0353 40.8794 177.1573 141 S 4.6268 8.0507 114.6086 57.2213 64.4229 173.2080 142 E 4.1467 8.6180 121.0467 56.9227 30.0443 176.9727 143 E 4.4702 10.6784 125.8855 56.3150 28.1161 173.9409 144 D 4.7210 7.8529 115.4126 54.0477 41.3867 178.1611 145 F 5.1330 8.0508 118.7767 56.2440 43.1341 172.8676 146 D 5.3294 9.3420 124.7314 51.5071 41.5288 175.1345 147 L 5.2626 8.5071 124.9204 53.4933 45.1661 174.6380 148 H 5.3040 8.6393 120.8028 54.0413 33.2781 172.3871 149 L 5.2839 9.1487 124.2986 52.0830 43.7688 175.0061 150 S 4.9248 8.4149 120.3861 57.6353 65.1420 173.3491 151 V 4.7533 9.0258 122.1019 61.7355 35.5510 175.6734 152 K 5.1925 9.0004 123.5122 55.9314 31.1192 175.0998 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 4.25 0.00 1.98 2.03 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.53 0.00 2 D 8.62 4.11 0.00 2.79 2.60 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 3 A 8.89 4.11 1.32 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 4 R 7.94 3.87 0.00 2.03 1.97 0.00 3.08 0.00 0.00 3.16 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 5 I 8.79 4.01 1.97 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 1.40 0.69 0.90 0.00 0.00 6 V 7.78 3.53 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 1.09 0.00 0.00 0.91 0.00 0.00 7 N 8.41 4.21 0.00 3.11 2.92 0.00 0.00 7.02 8.97 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 8 A 7.60 4.03 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 9 L 8.17 3.87 0.00 1.73 1.81 0.88 1.11 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 10 I 8.19 3.89 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 1.44 0.71 0.89 0.00 0.00 11 G 8.07 3.64 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 0.00 0.00 0.00 12 S 8.04 4.19 0.00 4.11 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 13 V 8.22 3.52 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 0.98 0.00 0.00 0.98 0.00 0.00 14 Y 8.46 4.18 0.00 3.10 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 15 E 9.40 3.81 0.00 2.03 1.97 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 2.46 2.78 0.00 16 T 7.45 4.10 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 1.09 0.00 0.00 17 I 8.11 3.70 1.64 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.47 0.84 0.00 0.00 18 R 7.20 4.95 0.00 1.62 1.68 0.00 3.20 0.00 0.00 3.15 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.16 0.00 19 D 7.37 4.35 0.00 2.63 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 20 V 7.67 3.75 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 0.69 0.00 0.00 0.88 0.00 0.00 21 L 7.78 4.44 0.00 1.87 1.71 0.83 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 22 G 8.13 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 23 I 7.12 4.54 1.93 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 1.23 0.81 1.08 0.00 0.00 24 E 8.71 4.35 0.00 2.02 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 2.24 2.21 0.00 25 P 0.00 4.89 0.00 2.07 1.95 0.00 3.71 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.91 0.00 26 K 8.44 4.63 0.00 1.78 1.79 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.39 7.81 27 T 8.55 4.57 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 1.24 0.00 0.00 28 G 9.33 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 29 K 8.56 4.66 0.00 1.72 1.66 0.00 1.80 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.28 1.41 7.81 30 P 0.00 4.45 0.00 1.95 1.99 0.00 3.65 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 31 S 9.62 4.80 0.00 3.79 3.61 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 32 T 8.44 5.19 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 1.22 0.00 0.00 33 V 8.06 4.65 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 0.69 0.00 0.00 0.98 0.00 0.00 34 S 8.67 4.26 0.00 3.93 3.93 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 35 H 7.30 4.38 0.00 3.14 3.28 0.00 5.71 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 I 8.36 4.10 1.84 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 1.37 0.62 0.65 0.00 0.00 37 E 8.61 4.26 0.00 2.01 1.94 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 2.37 2.32 0.00 38 I 8.15 3.97 1.86 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 1.46 0.44 0.92 0.00 0.00 39 P 0.00 4.54 0.00 1.97 2.09 0.00 3.81 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.98 0.00 40 H 7.57 4.93 0.00 3.08 3.21 0.00 5.67 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 41 S 8.49 4.65 0.00 3.67 3.81 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 42 L 7.69 4.91 0.00 0.73 0.49 0.69 0.63 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 43 V 8.40 5.74 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 1.00 0.00 0.00 0.99 0.00 0.00 44 T 8.84 5.18 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 1.27 0.00 0.00 45 V 8.76 4.98 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 1.02 0.00 0.00 1.00 0.00 0.00 46 I 8.84 4.94 1.97 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 1.24 0.65 0.99 0.00 0.00 47 G 8.73 4.42 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 0.00 48 I 8.67 5.35 1.88 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 1.30 0.87 0.95 0.00 0.00 49 T 8.96 4.90 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 1.21 0.00 0.00 50 G 9.27 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 0.00 0.00 0.00 51 G 9.67 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 52 I 7.44 4.66 1.88 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 1.42 0.78 0.91 0.00 0.00 53 E 7.62 5.16 0.00 1.90 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 2.27 2.11 0.00 54 G 8.06 4.17 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 0.00 0.00 0.00 55 S 8.31 5.32 0.00 3.97 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 56 L 9.32 4.79 0.00 1.69 1.57 0.76 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 57 I 8.62 5.08 1.89 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.09 0.98 0.00 0.00 58 Y 8.90 4.44 0.00 3.13 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 59 S 9.33 5.61 0.00 4.04 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 60 F 9.17 5.01 0.00 2.51 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 0.00 0.00 0.00 61 S 8.09 4.64 0.00 3.88 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 62 S 8.64 3.99 0.00 3.86 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 63 E 8.11 3.94 0.00 2.08 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 2.39 2.41 0.00 64 T 7.95 4.00 4.35 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 0.82 0.00 0.00 65 A 8.36 4.36 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 L 7.89 4.00 0.00 1.78 1.95 1.06 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 67 K 7.88 3.86 0.00 1.96 1.14 0.00 1.39 0.00 0.00 1.51 0.00 0.00 2.98 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.33 1.70 7.81 68 V 7.53 3.86 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 0.99 0.00 0.00 1.35 0.00 0.00 69 V 7.67 3.40 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 0.07 0.00 0.00 0.81 0.00 0.00 70 S 8.43 4.23 0.00 3.86 4.09 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 0.00 0.00 0.00 71 A 7.91 4.10 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 M 7.55 4.26 0.00 1.99 2.19 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.52 0.00 73 M 8.87 4.53 0.00 2.04 2.15 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 2.79 2.70 0.00 74 G 8.77 4.06 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 0.00 0.00 0.00 75 G 8.21 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 76 M 7.88 4.60 0.00 2.03 1.97 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.63 0.00 77 E 8.52 4.78 0.00 1.86 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 2.17 2.24 0.00 78 Y 8.25 4.35 0.00 2.98 2.78 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 79 N 8.85 4.84 0.00 2.68 2.82 0.00 0.00 7.14 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 80 Q 7.85 4.45 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.33 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 81 L 8.12 4.55 0.00 1.60 1.60 0.94 1.20 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 82 D 7.74 4.80 0.00 2.97 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 83 E 8.75 3.95 0.00 2.05 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 2.43 2.42 0.00 84 L 8.07 3.89 0.00 1.79 1.79 1.08 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 85 A 7.71 3.66 1.32 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 86 L 7.94 3.95 0.00 1.93 1.75 0.94 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 87 S 8.64 4.16 0.00 3.94 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 88 A 8.19 3.89 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 89 I 7.82 3.66 2.12 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.75 1.12 0.00 0.00 90 G 8.16 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 91 E 8.05 3.67 0.00 2.21 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 2.27 2.32 0.00 92 L 7.84 4.06 0.00 1.65 1.57 0.75 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 93 G 7.47 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 0.00 0.00 0.00 94 N 8.75 4.33 0.00 2.88 2.93 0.00 0.00 7.16 5.12 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 95 M 8.93 4.10 0.00 1.94 2.03 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.54 0.00 96 T 7.70 3.85 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 1.30 0.00 0.00 97 A 8.33 4.25 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 98 G 8.25 3.66 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 0.00 0.00 0.00 99 K 7.77 4.02 0.00 1.92 1.85 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.42 7.81 100 L 8.70 4.44 0.00 1.75 1.82 0.91 0.93 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 0.00 101 A 8.43 3.96 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 0.00 102 M 7.60 3.94 0.00 2.11 2.21 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.52 0.00 103 K 8.25 4.00 0.00 1.94 1.80 0.00 1.90 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.63 7.81 104 L 7.87 4.08 0.00 1.96 1.86 0.91 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.19 3.97 0.00 2.04 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 2.31 2.42 0.00 106 H 7.62 4.73 0.00 3.19 3.30 0.00 5.67 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 L 7.62 4.62 0.00 1.61 1.63 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 108 G 7.87 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 0.00 0.00 0.00 0.00 109 K 7.84 4.09 0.00 1.65 1.79 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.48 7.81 110 H 8.87 5.05 0.00 3.12 3.25 0.00 6.03 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 V 8.37 4.66 2.18 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 0.79 0.00 0.00 0.93 0.00 0.00 112 D 9.28 5.12 0.00 2.60 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 I 8.24 4.98 1.88 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 1.24 0.86 0.93 0.00 0.00 114 T 8.25 4.50 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 1.26 0.00 0.00 115 P 0.00 4.70 0.00 1.99 1.97 0.00 3.73 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 116 P 0.00 4.91 0.00 2.11 2.07 0.00 3.71 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.07 0.00 117 T 8.61 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 1.24 0.00 0.00 118 V 8.52 4.70 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 0.95 0.00 0.00 1.00 0.00 0.00 119 V 8.70 4.76 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 0.95 0.00 0.00 0.96 0.00 0.00 120 S 7.78 5.64 0.00 3.79 3.69 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 0.00 121 G 8.00 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 0.00 122 R 8.56 4.48 0.00 1.79 1.86 0.00 3.34 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 123 D 8.55 4.32 0.00 2.80 2.71 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 0.00 124 L 7.46 4.26 0.00 1.62 1.58 0.91 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 0.00 125 K 8.24 4.24 0.00 1.64 1.64 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.31 1.43 7.81 126 I 8.28 4.34 1.87 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 1.32 0.75 0.95 0.00 0.00 127 K 8.61 4.29 0.00 1.68 1.78 0.00 1.40 0.00 0.00 1.46 0.00 0.00 2.35 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.37 1.56 7.81 128 S 8.45 5.09 0.00 3.87 3.76 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 0.00 129 F 9.13 4.66 0.00 2.94 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 0.00 130 G 9.03 4.45 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 0.00 0.00 0.00 131 V 8.08 4.00 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 0.83 0.00 0.00 0.93 0.00 0.00 132 I 8.25 5.04 2.07 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 1.26 1.05 0.97 0.00 0.00 133 L 8.47 4.85 0.00 1.69 1.59 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 134 K 9.56 4.69 0.00 1.55 1.63 0.00 1.62 0.00 0.00 1.55 0.00 0.00 2.81 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.26 1.13 7.81 135 L 8.63 4.82 0.00 1.66 1.41 0.89 0.70 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 0.00 136 P 0.00 4.82 0.00 2.16 2.31 0.00 3.67 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 2.00 0.00 137 I 8.81 5.10 2.08 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 1.24 1.00 0.88 0.00 0.00 138 S 8.83 5.05 0.00 3.79 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 0.00 139 V 9.76 3.74 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 -0.05 0.00 0.00 0.95 0.00 0.00 140 F 8.83 4.94 0.00 3.17 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 0.00 141 S 8.05 4.63 0.00 3.92 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 0.00 142 E 8.62 4.15 0.00 1.97 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 2.32 2.38 0.00 143 E 10.68 4.47 0.00 2.10 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 2.31 2.26 0.00 144 D 7.85 4.72 0.00 2.59 2.78 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 0.00 145 F 8.05 5.13 0.00 2.95 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 0.00 146 D 9.34 5.33 0.00 2.89 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 0.00 147 L 8.51 5.26 0.00 1.63 1.57 0.48 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 148 H 8.64 5.30 0.00 3.04 3.13 0.00 5.80 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 0.00 149 L 9.15 5.28 0.00 1.66 1.48 0.97 0.80 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 0.00 150 S 8.41 4.92 0.00 4.13 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 0.00 151 V 9.03 4.75 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 0.98 0.00 0.00 0.99 0.00 0.00 152 K 9.00 5.19 0.00 1.81 1.91 0.00 1.80 0.00 0.00 1.90 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.44 7.81