NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.1195 8.0549 114.0560 61.1306 33.0100 174.9129 2 L 4.1072 8.0644 122.4613 52.0384 42.7031 175.8227 3 S 4.5486 9.1821 117.4460 57.6436 66.3940 174.7330 4 E 4.2473 8.7243 121.5639 59.3359 29.4425 178.7385 5 G 3.6023 8.0494 105.5476 47.6265 0.0000 175.5177 6 E 3.9359 8.1147 120.8102 59.0762 29.4206 179.4804 7 W 4.3658 8.3238 119.1828 59.6771 28.9927 178.6116 8 Q 4.1157 8.5388 118.3724 59.1131 28.0760 178.7697 9 L 4.0492 7.8866 119.6226 57.8200 41.6343 179.9420 10 V 3.7560 7.7510 117.6700 66.1318 31.6306 178.0759 11 L 4.3544 8.4224 118.3399 57.2200 41.1606 178.9387 12 H 4.1746 8.5849 119.2153 59.3344 29.9860 177.6992 13 V 3.5734 7.7987 121.0372 64.5387 31.2466 178.0509 14 W 3.9084 8.5566 128.7818 60.0576 30.2691 177.7928 15 A 4.0436 7.8951 119.9580 54.5787 18.0373 179.4888 16 K 3.9416 7.2959 117.3798 59.3683 32.1309 179.4034 17 V 2.8180 7.0300 118.3439 65.8566 31.0071 177.4771 18 E 3.9518 7.4645 114.7906 57.6332 29.2802 178.3954 19 A 4.2135 7.5626 121.3366 53.8766 19.5913 177.6808 20 D 4.6486 7.7675 116.5578 51.9654 42.3919 175.4892 21 V 3.4356 7.9337 123.1969 65.6176 32.0940 176.7606 22 A 4.0638 7.9864 120.1371 55.2108 18.3113 179.7307 23 G 3.5788 8.3151 105.5290 47.4921 0.0000 175.8155 24 H 4.2026 8.2689 118.6646 58.5702 28.6691 178.1398 25 G 3.5585 8.4362 108.0115 47.7576 0.0000 175.4630 26 Q 3.8550 8.0850 120.4790 59.0351 28.7758 178.7759 27 D 4.2980 7.9332 119.2927 57.5501 40.8239 179.2988 28 I 3.6256 7.6727 119.8639 64.4896 37.1218 178.5230 29 L 3.3944 7.6183 119.7046 57.6381 41.2655 179.8047 30 I 3.6234 7.6887 119.8688 64.0720 36.9827 178.3927 31 R 3.7846 7.9602 119.6681 59.2415 29.8722 178.2545 32 L 3.9325 7.9204 120.3309 58.3951 41.9636 179.0815 33 F 4.5585 8.0502 117.7845 60.4787 38.5403 177.9029 34 K 4.0422 8.1239 117.6445 59.3734 31.9962 179.2898 35 S 4.3208 8.0179 114.7112 60.2757 64.0725 174.3934 36 H 4.6359 8.1693 118.5406 52.0142 29.6325 171.7953 37 P 4.6403 0.0000 0.0000 64.6013 31.0123 177.4517 38 E 4.1096 8.2974 116.2547 59.5620 29.3410 179.2076 39 T 3.7198 8.2461 111.3372 64.4521 68.8785 176.4482 40 L 3.5946 7.8382 123.0164 57.7571 41.8310 178.3422 41 E 4.0435 7.6545 117.9959 58.8242 29.5589 178.4372 42 K 4.4151 8.1139 116.7730 57.2335 32.7970 177.4414 43 F 4.5310 8.2200 119.1345 55.4724 38.7764 175.5675 44 D 4.4129 8.5481 125.1769 57.0554 40.8977 178.9562 45 R 3.9140 7.6632 112.5147 56.7448 30.1433 176.5186 46 F 5.0135 7.6790 116.1637 56.8885 40.6888 176.8959 47 K 3.8565 7.5991 120.3858 59.4425 31.9265 177.7067 48 H 4.4392 8.0222 112.4128 56.9445 29.0798 175.4984 49 L 4.1480 7.5931 121.6694 54.5320 41.8283 176.7566 50 K 4.4765 9.3426 122.5972 56.2702 34.6664 176.5073 51 T 4.7408 7.5097 107.7365 58.8876 73.1839 174.2636 52 E 3.9225 8.6049 120.9053 59.2560 29.7510 178.5791 53 A 3.9771 7.9068 120.4559 55.2160 18.3110 179.2689 54 E 3.9556 8.0314 116.0440 59.7176 29.6425 179.2601 55 M 4.1749 8.0597 118.7145 58.4368 31.8542 178.9916 56 K 3.9325 8.2020 117.4009 59.2066 32.2376 178.7798 57 A 4.2965 7.6324 119.5415 52.8347 18.7156 177.5192 58 S 4.2043 7.3386 113.8705 58.1233 62.8344 174.5362 59 E 4.0617 8.8499 128.7127 58.9258 29.5193 178.0078 60 D 4.3874 8.0960 118.0351 57.1192 41.3968 177.6117 61 L 3.4378 7.9861 120.9291 57.9930 41.9864 178.8562 62 K 3.8439 7.8093 119.3683 59.2808 32.1030 178.5900 63 K 3.9504 8.2918 120.1668 59.8882 32.1156 178.3134 64 H 4.3960 8.6070 118.6670 59.0690 29.7976 177.2095 65 G 3.6923 8.3085 107.8653 47.9545 0.0000 175.7808 66 V 3.6090 7.6602 120.1042 65.9253 31.6458 177.9316 67 T 3.8842 7.8022 115.5268 66.8843 68.3508 176.6019 68 V 3.6049 7.8884 119.7250 66.1730 31.6219 178.1715 69 L 4.2866 8.0929 118.6359 57.9422 41.4262 179.6174 70 T 4.0332 8.3723 116.0704 66.4384 68.4602 176.6236 71 A 3.9847 8.0374 122.6728 55.0445 18.4142 179.4651 72 L 3.7570 8.1266 119.0728 58.0182 42.1373 179.2991 73 G 3.1969 8.5084 105.8964 47.7275 0.0000 175.4300 74 A 4.0086 7.6835 122.1016 54.7582 18.6212 179.6595 75 I 3.7868 7.4424 117.9810 64.6095 37.2284 178.5852 76 L 3.9240 7.8776 120.1004 57.7228 41.4988 179.2982 77 K 4.0467 7.6786 115.6353 57.6760 32.2693 177.9265 78 K 3.9269 7.8970 118.4816 56.2520 32.0605 180.3031 79 K 2.0000 7.8009 115.7726 52.5450 33.0732 174.2758 80 G 4.2081 8.1398 111.1841 46.5288 0.0000 174.2309 81 H 4.5639 7.4561 117.7964 55.2300 27.8553 175.1416 82 H 5.3180 7.0894 109.3802 54.4868 29.9408 176.8369 83 E 3.9733 8.4887 121.1557 60.6049 29.1114 178.7937 84 A 4.0831 7.9009 118.5694 54.9693 17.7913 179.0751 85 E 4.0872 8.1186 117.0207 59.3975 29.6253 178.8814 86 L 4.2200 8.2155 120.3730 57.3395 42.1442 178.7536 87 K 3.8960 7.9358 119.5020 59.1937 32.2243 177.0057 88 P 4.2649 0.0000 0.0000 65.3398 31.1556 178.4554 89 L 3.9960 7.4889 115.9442 58.1017 41.9903 178.8657 90 A 4.0964 8.3056 121.0872 55.2100 18.2670 179.6123 91 Q 3.7903 8.2057 116.7895 59.0953 28.8288 179.2906 92 S 3.9766 8.0720 115.2057 61.8552 63.1278 176.2560 93 H 4.2470 8.6162 119.8479 58.0389 28.3566 177.8194 94 A 2.9533 7.9324 123.2444 54.6756 17.9606 179.3154 95 T 3.6770 7.4141 106.3101 62.4422 69.6741 175.7534 96 K 4.1232 7.3574 120.7912 58.5201 32.9795 177.2084 97 H 4.2463 7.9811 114.4544 56.4062 29.3208 175.4926 98 K 3.7995 7.4974 116.5613 56.3975 28.8121 175.8604 99 I 4.2376 8.1067 118.8623 58.7521 38.7535 174.9690 100 P 4.3045 0.0000 0.0000 62.8738 32.0203 177.4067 101 I 3.4338 8.4353 122.1203 64.4678 36.9134 178.4951 102 K 3.6669 7.9096 119.8328 59.7796 31.8875 178.2447 103 Y 4.0536 8.0124 116.8466 60.7495 37.7195 178.2101 104 L 4.1613 7.8645 120.1383 57.4721 41.6700 179.0170 105 E 3.9458 7.9082 119.0505 59.1980 29.6331 178.5829 106 F 4.7001 7.6892 117.8099 60.9673 38.9631 177.5612 107 I 3.9349 8.2236 117.8544 63.6641 37.7395 178.0235 108 S 4.1750 8.3584 116.5446 61.7359 62.6949 176.2523 109 E 4.0563 8.4307 120.9309 59.5554 29.1899 179.4557 110 A 4.0347 8.0488 120.6953 55.0258 18.3751 179.7475 111 I 3.6716 8.1107 118.6231 64.7398 37.2691 178.7582 112 I 3.8133 7.8794 120.6106 64.4927 36.9262 177.9317 113 H 4.1800 8.4602 119.1441 59.4150 29.7280 177.5238 114 V 3.5469 7.9532 119.9292 65.9639 31.4485 177.8238 115 L 3.7805 7.9486 118.8921 57.9565 41.0554 179.0389 116 H 4.2693 7.8300 117.1183 59.4658 29.9102 177.2500 117 S 4.1409 7.7373 115.8012 61.2573 62.7221 176.2125 118 R 4.1494 7.6539 118.8852 57.1599 31.3349 176.6006 119 H 4.9242 7.9608 116.1757 53.4793 30.1675 172.7388 120 P 4.2298 0.0000 0.0000 66.1456 31.2171 178.9419 121 G 3.6833 8.1174 105.5065 46.7106 0.0000 173.5020 122 D 4.9751 8.2140 118.1505 54.1014 42.0879 176.0787 123 F 4.8872 8.3460 120.7557 56.3936 39.4989 174.2471 124 G 3.8829 7.6227 109.0882 44.2166 0.0000 172.0053 125 A 3.9251 8.4034 120.7765 54.9823 18.2920 179.6667 126 D 4.2445 7.9041 117.2430 56.4869 39.5717 178.6132 127 A 3.8804 7.6691 121.7814 54.6751 18.4332 179.0611 128 Q 3.2240 7.6874 118.5797 59.0092 29.0412 178.8427 129 G 3.5291 8.4097 106.6927 47.8323 0.0000 175.4763 130 A 3.8814 7.8921 123.4309 54.9871 18.2830 179.4563 131 M 4.0204 8.3171 116.9795 58.5719 32.2362 177.9505 132 N 4.3059 8.4306 117.5595 56.5550 39.1641 176.9097 133 K 3.8419 8.0580 119.5729 59.4674 32.1515 179.0652 134 A 3.8710 7.9368 120.9149 55.2843 18.3005 179.7531 135 L 4.0748 8.2620 117.6414 57.8385 41.6193 179.5428 136 E 4.0330 8.5799 119.0958 59.1976 29.3334 179.1275 137 L 4.0009 8.0270 120.5488 57.9501 42.1931 178.6968 138 F 4.1605 8.3130 120.6865 61.4594 39.3168 177.4192 139 R 3.5955 8.2042 117.5637 58.9343 29.8768 178.8394 140 K 3.8304 8.3187 119.8215 59.7148 32.0560 178.5269 141 D 4.3377 8.1788 119.0404 57.3532 40.6276 178.8472 142 I 3.5154 7.5186 120.0398 64.2889 36.9573 178.3703 143 A 3.6445 8.2188 121.7377 54.8653 18.1237 179.5310 144 A 3.9334 7.9577 119.4006 55.2494 18.4736 180.0232 145 K 3.9742 7.8967 116.8515 59.7654 32.1323 179.0433 146 Y 4.1341 8.4882 117.3319 61.0440 37.8124 178.7559 147 K 3.9516 8.4511 120.6019 59.4999 32.1099 178.0177 148 E 3.9182 7.9510 118.2448 59.6946 29.6020 178.6909 149 L 4.3246 7.8218 116.2260 55.8037 41.7935 177.9691 150 G 3.9419 8.0102 107.3194 45.5425 0.0000 173.6614 151 Y 4.3390 8.1758 115.5785 56.7748 39.3400 175.7098 152 Q 3.9106 8.3132 120.8760 57.2871 29.2386 176.9170 153 G 3.7573 9.1334 113.0062 45.5439 0.0000 173.1388 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 V 8.05 4.12 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 0.93 0.00 0.00 0.95 0.00 0.00 2 L 8.06 4.11 0.00 0.59 0.73 0.47 -0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.18 4.55 0.00 4.00 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 4 E 8.72 4.25 0.00 2.19 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 2.43 2.52 0.00 5 G 8.05 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.11 3.94 0.00 2.04 1.73 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 2.22 2.26 0.00 7 W 8.32 4.37 0.00 3.57 3.20 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 8 Q 8.54 4.12 0.00 2.35 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.78 0.00 0.00 0.00 0.00 0.00 2.45 2.49 0.00 9 L 7.89 4.05 0.00 1.92 1.76 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.75 3.76 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 1.22 0.00 0.00 0.88 0.00 0.00 11 L 8.42 4.35 0.00 1.95 1.81 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.58 4.17 0.00 3.46 3.52 0.00 5.78 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.80 3.57 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 0.94 0.00 0.00 0.81 0.00 0.00 14 W 8.56 3.91 0.00 3.64 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 15 A 7.90 4.04 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 16 K 7.30 3.94 0.00 1.42 1.71 0.00 1.83 0.00 0.00 1.53 0.00 0.00 2.74 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.46 7.81 17 V 7.03 2.82 0.81 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 -0.02 0.00 0.00 0.21 0.00 0.00 18 E 7.46 3.95 0.00 2.00 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 2.18 2.11 0.00 19 A 7.56 4.21 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 20 D 7.77 4.65 0.00 2.70 2.50 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 21 V 7.93 3.44 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 1.06 0.00 0.00 0.84 0.00 0.00 22 A 7.99 4.06 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 23 G 8.32 3.58 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 0.00 0.00 0.00 24 H 8.27 4.20 0.00 3.24 3.22 0.00 5.82 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 25 G 8.44 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.09 3.86 0.00 2.25 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.70 0.00 0.00 0.00 0.00 0.00 2.31 2.51 0.00 27 D 7.93 4.30 0.00 2.76 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 28 I 7.67 3.63 1.81 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 1.51 0.74 0.88 0.00 0.00 29 L 7.62 3.39 0.00 1.33 0.91 0.76 0.64 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 30 I 7.69 3.62 1.86 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.55 0.87 0.00 0.00 31 R 7.96 3.78 0.00 1.96 2.08 0.00 3.05 0.00 0.00 2.99 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 32 L 7.92 3.93 0.00 1.74 1.46 1.06 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.05 4.56 0.00 3.12 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 34 K 8.12 4.04 0.00 1.70 1.83 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.63 1.61 7.81 35 S 8.02 4.32 0.00 3.79 3.58 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 36 H 8.17 4.64 0.00 3.02 2.92 0.00 5.63 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.64 0.00 2.15 2.10 0.00 3.81 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 2.08 1.98 0.00 38 E 8.30 4.11 0.00 2.28 2.29 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 2.22 2.51 0.00 39 T 8.25 3.72 4.51 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 0.91 0.00 0.00 40 L 7.84 3.59 0.00 1.41 1.73 -0.09 0.73 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 41 E 7.65 4.04 0.00 1.97 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 42 K 8.11 4.42 0.00 1.90 1.67 0.00 1.91 0.00 0.00 1.75 0.00 0.00 3.17 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.72 1.92 7.81 43 F 8.22 4.53 0.00 3.29 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 44 D 8.55 4.41 0.00 2.65 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 45 R 7.66 3.91 0.00 1.62 1.81 0.00 2.21 0.00 0.00 2.95 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.50 0.00 46 F 7.68 5.01 0.00 2.85 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 K 7.60 3.86 0.00 1.65 1.91 0.00 1.76 0.00 0.00 2.01 0.00 0.00 3.03 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.61 1.58 7.81 48 H 8.02 4.44 0.00 3.27 3.44 0.00 5.53 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 49 L 7.59 4.15 0.00 1.61 1.58 0.91 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.34 4.48 0.00 1.85 1.80 0.00 1.79 0.00 0.00 1.76 0.00 0.00 3.12 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.36 7.81 51 T 7.51 4.74 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 52 E 8.60 3.92 0.00 2.04 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 2.36 2.35 0.00 53 A 7.91 3.98 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 54 E 8.03 3.96 0.00 2.12 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 2.35 2.35 0.00 55 M 8.06 4.17 0.00 2.06 2.25 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 2.77 2.58 0.00 56 K 8.20 3.93 0.00 1.89 1.85 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.52 7.81 57 A 7.63 4.30 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 58 S 7.34 4.20 0.00 3.86 3.86 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 59 E 8.85 4.06 0.00 2.14 1.95 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 2.39 2.45 0.00 60 D 8.10 4.39 0.00 2.96 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 61 L 7.99 3.44 0.00 1.39 1.63 -0.08 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.81 3.84 0.00 1.90 1.95 0.00 1.87 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.42 7.81 63 K 8.29 3.95 0.00 2.16 1.98 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.49 7.81 64 H 8.61 4.40 0.00 3.68 3.47 0.00 5.85 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 65 G 8.31 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 0.00 0.00 0.00 66 V 7.66 3.61 2.27 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 1.12 0.00 0.00 0.99 0.00 0.00 67 T 7.80 3.88 4.33 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 1.25 0.00 0.00 68 V 7.89 3.60 2.22 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 1.10 0.00 0.00 1.05 0.00 0.00 69 L 8.09 4.29 0.00 1.82 1.89 0.88 0.71 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 70 T 8.37 4.03 4.49 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 1.26 0.00 0.00 71 A 8.04 3.98 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 72 L 8.13 3.76 0.00 1.62 1.71 0.16 0.71 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 73 G 8.51 3.20 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 0.00 0.00 0.00 74 A 7.68 4.01 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 75 I 7.44 3.79 1.88 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.87 0.94 0.00 0.00 76 L 7.88 3.92 0.00 1.27 1.50 0.05 0.84 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 77 K 7.68 4.05 0.00 1.67 1.78 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.45 1.42 7.81 78 K 7.90 3.93 0.00 1.91 1.78 0.00 1.77 0.00 0.00 1.56 0.00 0.00 2.85 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.68 7.81 79 K 7.80 2.00 0.00 1.22 0.74 0.00 1.47 0.00 0.00 1.43 0.00 0.00 2.74 0.00 0.00 3.05 0.00 0.00 0.00 0.00 0.41 0.74 7.81 80 G 8.14 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 H 7.46 4.56 0.00 3.17 3.25 0.00 5.80 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 82 H 7.09 5.32 0.00 3.30 3.43 0.00 5.65 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.49 3.97 0.00 2.09 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 2.41 2.47 0.00 84 A 7.90 4.08 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 85 E 8.12 4.09 0.00 2.23 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 2.39 2.43 0.00 86 L 8.22 4.22 0.00 1.80 1.74 0.77 0.36 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 87 K 7.94 3.90 0.00 2.01 1.80 0.00 1.70 0.00 0.00 1.65 0.00 0.00 3.09 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.49 7.81 88 P 0.00 4.26 0.00 2.22 2.10 0.00 3.79 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 2.13 2.15 0.00 89 L 7.49 4.00 0.00 1.76 1.88 1.05 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.31 4.10 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 91 Q 8.21 3.79 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.66 0.00 92 S 8.07 3.98 0.00 3.94 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 93 H 8.62 4.25 0.00 3.47 3.58 0.00 5.81 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 94 A 7.93 2.95 -0.03 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 0.00 0.00 95 T 7.41 3.68 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 0.86 0.00 0.00 96 K 7.36 4.12 0.00 1.56 1.65 0.00 1.74 0.00 0.00 1.64 0.00 0.00 3.01 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.21 1.35 7.81 97 H 7.98 4.25 0.00 2.93 3.20 0.00 5.86 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.50 3.80 0.00 1.86 1.84 0.00 1.86 0.00 0.00 2.29 0.00 0.00 3.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.33 7.81 99 I 8.11 4.24 2.04 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 0.95 1.08 0.00 0.00 100 P 0.00 4.30 0.00 1.53 1.73 0.00 2.54 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 1.77 0.00 101 I 8.44 3.43 1.70 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.90 0.71 0.00 0.00 102 K 7.91 3.67 0.00 1.74 1.70 0.00 1.53 0.00 0.00 1.74 0.00 0.00 3.17 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 0.61 7.81 103 Y 8.01 4.05 0.00 3.21 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 0.00 104 L 7.86 4.16 0.00 1.81 1.80 0.64 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 105 E 7.91 3.95 0.00 1.94 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 2.43 2.42 0.00 106 F 7.69 4.70 0.00 3.24 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 0.00 107 I 8.22 3.93 2.02 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 1.58 1.66 1.09 0.00 0.00 108 S 8.36 4.17 0.00 4.17 3.97 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 0.00 109 E 8.43 4.06 0.00 2.37 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 2.61 0.00 110 A 8.05 4.03 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 0.00 111 I 8.11 3.67 2.10 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.82 1.02 0.00 0.00 112 I 7.88 3.81 2.00 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 1.68 1.01 1.14 0.00 0.00 113 H 8.46 4.18 0.00 3.36 3.47 0.00 5.78 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 0.00 114 V 7.95 3.55 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 0.90 0.00 0.00 1.00 0.00 0.00 115 L 7.95 3.78 0.00 0.90 0.45 0.74 0.79 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 0.00 116 H 7.83 4.27 0.00 3.54 3.50 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.74 4.14 0.00 3.92 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 0.00 118 R 7.65 4.15 0.00 1.52 1.52 0.00 2.62 0.00 0.00 2.83 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.60 0.00 119 H 7.96 4.92 0.00 3.12 3.21 0.00 5.66 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.23 0.00 2.21 2.32 0.00 3.57 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.97 0.00 121 G 8.12 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 0.00 0.00 0.00 122 D 8.21 4.98 0.00 2.75 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 0.00 123 F 8.35 4.89 0.00 3.00 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 0.00 124 G 7.62 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 0.00 125 A 8.40 3.93 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 0.00 126 D 7.90 4.24 0.00 2.83 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 0.00 127 A 7.67 3.88 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 Q 7.69 3.22 0.00 1.49 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.28 2.37 0.00 129 G 8.41 3.53 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 0.00 130 A 7.89 3.88 1.27 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 0.00 131 M 8.32 4.02 0.00 2.50 2.44 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.87 0.00 132 N 8.43 4.31 0.00 2.96 2.93 0.00 0.00 7.18 7.89 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 0.00 133 K 8.06 3.84 0.00 1.87 1.67 0.00 1.57 0.00 0.00 1.53 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.54 7.81 134 A 7.94 3.87 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 0.00 135 L 8.26 4.07 0.00 1.86 1.79 0.98 1.11 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 0.00 136 E 8.58 4.03 0.00 2.15 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 2.34 2.54 0.00 137 L 8.03 4.00 0.00 1.89 1.97 1.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.31 4.16 0.00 3.08 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 0.00 139 R 8.20 3.60 0.00 2.06 1.86 0.00 3.12 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.91 0.00 140 K 8.32 3.83 0.00 1.77 2.03 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.47 7.81 141 D 8.18 4.34 0.00 2.98 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 0.00 142 I 7.52 3.52 1.51 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 -0.05 0.42 0.00 0.00 143 A 8.22 3.64 1.27 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 0.00 144 A 7.96 3.93 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 0.00 145 K 7.90 3.97 0.00 2.11 1.94 0.00 1.58 0.00 0.00 1.66 0.00 0.00 3.11 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.54 7.81 146 Y 8.49 4.13 0.00 3.11 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 K 8.45 3.95 0.00 2.09 2.02 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.47 7.81 148 E 7.95 3.92 0.00 2.04 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 2.36 2.40 0.00 149 L 7.82 4.32 0.00 1.86 1.96 0.86 0.89 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 0.00 150 G 8.01 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 0.00 0.00 0.00 151 Y 8.18 4.34 0.00 2.79 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 0.00 152 Q 8.31 3.91 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.48 0.00 153 G 9.13 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 0.00 0.00 0.00