NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4686 8.3044 118.1958 55.1852 32.5873 174.1440 1 V 4.2673 7.8751 117.8479 60.7671 34.4238 173.0306 2 L 4.4461 8.2960 127.1084 53.6182 43.9996 176.6430 3 S 4.5716 8.3974 116.9830 57.5603 65.4735 175.1020 4 E 4.2846 8.8016 122.4670 59.4514 29.1953 178.9637 5 G 3.6559 8.1198 105.3579 47.9090 0.0000 175.3924 6 E 3.9272 8.0160 120.5073 58.9045 29.4164 179.4025 7 W 4.3378 8.0387 119.0408 59.9265 29.0934 178.5858 8 Q 4.1680 8.6401 118.3903 58.9399 27.9835 178.8259 9 L 4.0860 7.8459 120.1235 57.6441 41.6469 179.7623 10 V 3.7364 7.8979 118.2021 66.2312 31.6125 178.2144 11 L 4.3047 8.6010 118.8264 57.5166 40.9944 179.0716 12 H 4.2327 8.4638 119.0867 59.2902 29.8852 177.7142 13 V 3.4763 7.8071 121.0623 64.3611 31.3172 178.1385 14 W 3.8895 8.5033 128.9300 60.0539 30.2734 177.8143 15 A 3.9978 7.9322 120.2511 54.7771 18.1216 179.4913 16 K 3.9488 7.2947 117.0502 59.3774 32.1583 179.5673 17 V 2.8807 7.1619 118.4843 65.8209 31.0627 177.7109 18 E 3.8664 7.5414 115.8242 58.1349 29.2953 178.4940 19 A 4.2165 7.4111 120.1139 53.5332 19.8805 177.6027 20 D 4.6492 7.9253 116.8049 51.8989 42.5362 175.4792 21 V 3.4207 7.9599 123.3730 65.6264 32.1313 176.7104 22 A 4.0744 8.0209 120.1007 55.1444 18.2769 179.6732 23 G 3.7272 8.0635 105.1434 47.8046 0.0000 175.7305 24 H 4.1985 8.2158 118.8065 58.3144 28.6676 178.0718 25 G 3.7365 8.2886 107.7366 47.8100 0.0000 175.4105 26 Q 3.8428 8.1301 121.9418 59.0135 29.1679 177.8750 27 D 4.3312 8.0284 119.7397 57.5671 40.8713 179.1406 28 I 3.6850 7.8430 119.9361 64.4747 37.1009 178.5723 29 L 3.3466 7.7034 119.7399 57.5721 41.2842 179.7406 30 I 3.6805 7.6589 119.8275 64.0969 36.9339 178.4203 31 R 3.7703 7.9009 119.6334 59.1687 29.8342 178.2565 32 L 3.8521 7.7318 120.0747 58.3704 41.9619 179.0694 33 F 4.5725 7.8046 117.7089 60.5302 38.5493 177.8925 34 K 4.0392 8.0951 117.5778 59.4004 32.0022 179.3306 35 S 4.2698 8.0667 114.8040 60.3918 64.2007 174.5187 36 H 4.6851 8.2939 118.7205 51.7941 29.3351 171.7082 37 P 4.5436 0.0000 0.0000 64.6498 31.2997 177.4947 38 E 4.3748 8.4893 117.4842 59.0189 29.4366 179.1606 39 T 3.8779 8.1614 110.8112 64.3581 68.7985 176.3236 40 L 3.6594 7.9370 123.4236 57.8510 41.5499 178.5829 41 E 4.1321 8.1267 118.3063 58.7054 29.1182 178.8453 42 K 4.3699 8.1151 117.3680 56.9503 32.7104 176.8995 43 F 4.4268 8.1265 118.9626 55.3985 38.4142 175.8774 44 D 4.3667 8.4645 126.5222 57.2834 40.8523 178.8961 45 R 3.9938 7.5949 116.5716 57.9511 30.3970 176.9569 46 F 5.0281 7.3585 113.7812 56.5405 40.8776 176.5541 47 K 3.7723 8.4041 122.7695 59.7349 31.8664 177.0062 48 H 4.4772 8.2113 111.6621 56.5630 29.1107 175.3654 49 L 4.0955 7.6252 121.8947 55.0206 41.6711 176.9325 50 K 4.2492 9.3199 124.0961 57.6132 33.1514 177.0590 51 T 4.7230 7.4391 107.4815 58.9806 73.1794 174.3074 52 E 3.9310 8.5823 120.6319 59.1561 29.6215 178.4430 53 A 3.9793 7.9056 120.5376 55.2310 18.2952 179.3157 54 E 3.9401 7.8977 115.8924 59.6524 29.8336 179.2107 55 M 4.1336 7.9640 118.7836 58.4297 31.8461 178.9896 56 K 3.9534 8.2329 117.4466 59.0054 32.2870 178.4767 57 A 4.4161 7.5748 118.2521 51.7088 19.1864 177.1827 58 S 4.2015 7.3679 113.5714 57.6394 62.8321 174.5323 59 E 4.0250 8.8625 129.0034 59.3083 29.4822 178.2796 60 D 4.4815 8.1266 118.7636 57.1749 40.9774 178.2550 61 L 2.9953 7.7522 120.9030 57.6498 42.0757 178.9377 62 K 3.8891 7.7738 119.1496 59.4370 32.1242 178.8934 63 K 4.0166 8.3189 118.9497 59.8704 31.9185 178.8779 64 H 4.4893 8.7180 118.6125 58.9991 29.7095 177.5322 65 G 3.7239 8.2855 108.0243 47.7231 0.0000 175.9265 66 V 3.6121 7.8474 120.4629 66.0006 31.5788 178.1803 67 T 3.8940 7.9451 115.5384 66.6346 68.3145 176.2899 68 F 4.2588 8.4792 122.5608 61.5074 39.4469 177.2056 69 L 3.4409 7.9620 118.6467 57.7965 41.3495 179.6842 70 T 3.9015 8.1439 115.6803 66.5271 68.4362 176.6042 71 A 3.9640 7.9594 122.7349 55.0245 18.3857 179.4560 72 L 3.6910 7.9214 119.0901 58.0575 42.1090 179.4035 73 G 3.2766 8.4284 105.9091 47.6218 0.0000 175.5253 74 A 3.9828 7.6393 122.1595 54.8336 18.6476 179.6022 75 I 3.7580 7.4210 117.8099 64.5617 37.2331 178.6331 76 L 3.9291 7.6505 119.8176 57.6579 41.1715 179.4669 77 K 4.0247 7.6494 116.5119 58.1198 32.3517 178.7037 78 K 3.9477 7.7940 118.7019 56.0822 32.5669 176.6126 79 K 2.0000 8.1746 118.0693 56.4376 29.7928 175.5079 80 G 3.9688 7.9564 106.1075 45.7181 0.0000 174.1257 81 H 4.6859 7.2610 118.8438 55.0004 27.3742 174.6881 82 H 5.2802 7.5822 111.8785 54.2697 29.6952 176.4189 83 E 3.9908 8.5917 120.8321 60.4049 28.7076 178.9518 84 A 4.0178 7.9450 119.9106 54.7594 17.4381 178.9996 85 E 4.0973 8.1306 116.6952 59.3373 29.6242 179.1162 86 L 4.2319 8.2055 120.5783 57.9584 42.1088 178.5845 87 K 3.8581 7.8974 118.8546 59.5266 32.1827 177.3298 88 P 4.3342 0.0000 0.0000 65.6957 31.2556 178.2457 89 L 4.0335 7.5522 117.6376 58.0580 42.1012 178.8021 90 A 4.2432 8.5757 121.2624 55.1069 18.2351 179.4563 91 Q 3.8940 8.2270 118.4560 59.3376 29.1267 178.6250 92 S 3.9908 8.0197 115.1240 61.8785 63.1126 176.1764 93 H 4.1877 8.5361 119.5975 57.8308 28.1951 177.6108 94 A 2.8691 7.7154 121.9860 54.4901 18.6564 179.0203 95 T 3.9334 7.5340 112.3958 64.9465 69.1296 176.1290 96 K 4.0856 7.4523 120.1673 58.7991 32.9623 177.3092 97 H 4.1919 8.0603 115.7058 56.5852 29.4005 175.6175 98 K 3.2914 7.5058 116.4394 56.9302 28.2817 176.0132 99 I 4.2824 8.0785 119.4087 58.8125 38.2775 175.0530 100 P 4.6351 0.0000 0.0000 62.2461 32.1561 177.3361 101 I 3.5805 8.4751 120.9721 64.6475 36.9633 178.3090 102 K 3.6376 7.9581 119.8465 59.8877 31.9393 178.2379 103 Y 4.1919 8.0606 116.6134 60.7255 37.8386 178.2802 104 L 4.2513 7.9569 120.3205 57.4931 41.6914 179.2311 105 E 4.0543 7.9889 118.3833 59.2992 29.5984 178.9931 106 F 4.4935 7.8278 117.5875 60.8729 38.9864 177.6503 107 I 3.8711 8.0414 117.9512 63.8787 37.7142 178.1265 108 S 4.2508 8.0879 116.2120 61.4982 62.5883 176.1404 109 E 4.0257 8.4633 121.9014 59.2255 29.4297 178.7075 110 A 4.0188 8.0847 120.6858 55.1401 18.4302 179.6991 111 I 3.7451 8.0779 118.3309 64.7445 37.2401 178.7442 112 I 3.8638 7.9007 120.6526 64.5633 36.9279 177.9904 113 H 4.1147 8.5495 119.2452 59.3260 29.6585 177.5702 114 V 3.5718 7.9005 119.9757 65.9621 31.2943 177.9544 115 L 3.7576 7.8337 118.7705 57.8870 41.0553 178.9842 116 H 4.3462 7.8966 117.2092 59.3618 29.8881 177.3195 117 S 4.1689 7.8606 115.8729 61.7340 62.8213 176.5368 118 R 4.0480 7.9420 119.2359 57.6901 31.2407 176.5508 119 H 5.0441 8.3320 115.5957 53.7224 29.4904 172.7998 120 P 4.3071 0.0000 0.0000 65.9164 31.6252 179.4171 121 G 3.6522 8.1584 106.4634 47.4559 0.0000 173.6812 122 N 4.9859 8.1442 115.2271 52.9603 39.4774 174.9670 123 F 4.9200 7.8368 119.0194 56.2816 39.4381 173.9930 124 G 3.9160 7.6159 109.7082 43.7669 0.0000 171.8505 125 A 3.8982 8.4233 120.6418 55.3842 18.2277 179.6476 126 D 4.1930 7.9476 116.4737 57.4643 40.9750 178.7050 127 A 3.9385 7.7617 120.7879 55.1154 18.3493 179.3223 128 Q 3.1627 7.9257 118.6063 58.7801 29.0265 178.6228 129 G 3.4963 8.0506 106.6807 47.5975 0.0000 175.5864 130 A 3.8478 7.9327 123.2632 54.9827 18.3409 179.3730 131 M 3.9689 8.1340 116.8122 58.8143 32.3049 177.8567 132 N 4.3010 8.5126 117.5928 56.6331 39.0774 176.6591 133 K 3.8553 8.1067 120.7320 59.3761 32.2601 178.6189 134 A 3.8286 8.0324 121.1405 55.2072 18.2830 179.6926 135 L 4.1465 8.2360 117.6851 57.9050 41.6108 179.5826 136 E 4.0579 8.6807 119.1893 59.0710 29.3633 179.0882 137 L 3.9408 8.1647 120.5466 58.0899 42.1851 178.6418 138 F 4.1700 8.3263 120.5200 61.6446 39.3043 177.3158 139 R 3.5245 8.4617 117.9132 58.8236 29.7715 179.0436 140 K 3.8427 8.1991 119.6117 59.6094 32.2373 178.7022 141 D 4.3053 8.0670 119.1257 57.3983 40.6651 178.8543 142 I 3.4381 7.4927 120.1499 64.0193 36.9835 178.2498 143 A 3.9049 8.0204 122.7297 54.5283 18.2791 179.5391 144 A 3.9560 7.8879 119.1860 55.2904 18.3817 180.0793 145 K 4.0315 8.0305 117.0642 59.6030 32.0166 179.0741 146 Y 4.3503 8.4826 117.5947 61.1765 37.9695 178.7096 147 K 3.9435 8.1430 120.2698 59.7449 32.0780 178.6819 148 E 4.0452 7.9169 117.1593 59.2375 29.4748 178.7891 149 L 4.2903 7.9679 117.3372 55.5906 41.8152 177.9155 150 G 3.8970 7.9492 106.8576 45.5778 0.0000 172.8020 151 Y 4.4400 7.4352 117.3438 54.6765 41.6348 175.3415 152 Q 3.5160 7.8565 117.7825 56.6623 26.0951 174.4113 153 G 3.1974 7.8684 108.2012 45.3101 0.0000 171.1962 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 0 M 8.30 4.47 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 1 V 7.88 4.27 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 0.89 0.00 0.00 0.95 0.00 0.00 2 L 8.30 4.45 0.00 0.96 0.77 0.58 -0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.40 4.57 0.00 4.07 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 4 E 8.80 4.28 0.00 2.19 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 2.43 2.52 0.00 5 G 8.12 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 6 E 8.02 3.93 0.00 1.87 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.25 0.00 7 W 8.04 4.34 0.00 3.59 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 8 Q 8.64 4.17 0.00 2.29 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.68 2.60 0.00 9 L 7.85 4.09 0.00 1.82 1.74 0.88 1.04 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 10 V 7.90 3.74 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.93 0.00 0.00 11 L 8.60 4.30 0.00 1.83 1.81 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.46 4.23 0.00 3.43 3.56 0.00 5.78 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.81 3.48 2.42 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 1.05 0.00 0.00 0.88 0.00 0.00 14 W 8.50 3.89 0.00 3.67 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 A 7.93 4.00 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 16 K 7.29 3.95 0.00 1.37 1.68 0.00 1.64 0.00 0.00 1.48 0.00 0.00 2.71 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.46 7.81 17 V 7.16 2.88 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 0.00 0.00 -0.10 0.00 0.00 0.41 0.00 0.00 18 E 7.54 3.87 0.00 1.84 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.05 0.00 19 A 7.41 4.22 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 20 D 7.93 4.65 0.00 2.70 2.52 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 21 V 7.96 3.42 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 1.03 0.00 0.00 0.83 0.00 0.00 22 A 8.02 4.07 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 23 G 8.06 3.73 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 0.00 0.00 0.00 24 H 8.22 4.20 0.00 3.14 3.25 0.00 5.83 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 8.29 3.74 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 0.00 0.00 0.00 26 Q 8.13 3.84 0.00 2.32 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.70 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 27 D 8.03 4.33 0.00 2.82 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 7.84 3.68 2.04 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 1.58 0.70 1.01 0.00 0.00 29 L 7.70 3.35 0.00 1.44 1.12 0.77 0.28 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 30 I 7.66 3.68 1.87 0.00 0.00 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 1.39 0.58 0.88 0.00 0.00 31 R 7.90 3.77 0.00 1.90 2.10 0.00 3.01 0.00 0.00 2.98 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 32 L 7.73 3.85 0.00 1.59 1.27 1.00 0.72 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 33 F 7.80 4.57 0.00 3.04 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 34 K 8.10 4.04 0.00 1.68 1.83 0.00 1.68 0.00 0.00 1.78 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.76 7.81 35 S 8.07 4.27 0.00 3.74 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 36 H 8.29 4.69 0.00 2.88 2.77 0.00 5.64 0.00 0.00 0.00 0.00 6.87 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 4.54 0.00 2.15 2.12 0.00 3.83 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.14 0.00 38 E 8.49 4.37 0.00 2.30 2.30 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 2.33 2.42 0.00 39 T 8.16 3.88 4.39 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 0.76 0.00 0.00 40 L 7.94 3.66 0.00 1.42 1.73 -0.01 0.75 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 8.13 4.13 0.00 2.27 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 2.36 2.38 0.00 42 K 8.12 4.37 0.00 1.92 1.63 0.00 1.83 0.00 0.00 1.73 0.00 0.00 3.13 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.72 1.90 7.81 43 F 8.13 4.43 0.00 3.23 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 44 D 8.46 4.37 0.00 2.57 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 45 R 7.59 3.99 0.00 0.95 1.54 0.00 3.10 0.00 0.00 3.19 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.46 0.00 46 F 7.36 5.03 0.00 2.85 2.77 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 0.00 0.00 0.00 47 K 8.40 3.77 0.00 1.93 1.91 0.00 1.80 0.00 0.00 1.92 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.43 7.81 48 H 8.21 4.48 0.00 3.33 3.41 0.00 5.59 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 7.63 4.10 0.00 1.53 1.57 0.81 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.32 4.25 0.00 1.77 1.84 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.52 7.81 51 T 7.44 4.72 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 1.20 0.00 0.00 52 E 8.58 3.93 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 2.35 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 7.90 3.94 0.00 2.12 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 2.34 2.34 0.00 55 M 7.96 4.13 0.00 2.06 2.25 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.54 0.00 56 K 8.23 3.95 0.00 1.81 1.85 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.44 1.54 7.81 57 A 7.57 4.42 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 58 S 7.37 4.20 0.00 3.85 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 59 E 8.86 4.03 0.00 2.14 1.96 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 2.39 2.48 0.00 60 D 8.13 4.48 0.00 3.03 3.23 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 0.00 61 L 7.75 3.00 0.00 1.03 1.51 0.73 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.77 3.89 0.00 1.82 1.92 0.00 1.68 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.47 7.81 63 K 8.32 4.02 0.00 2.08 1.94 0.00 1.77 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.74 7.81 64 H 8.72 4.49 0.00 3.66 3.54 0.00 5.79 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 8.29 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.85 3.61 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 1.12 0.00 0.00 0.97 0.00 0.00 67 T 7.95 3.89 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 1.32 0.00 0.00 68 F 8.48 4.26 0.00 3.13 3.27 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 69 L 7.96 3.44 0.00 1.75 1.65 0.88 0.66 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 70 T 8.14 3.90 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 1.23 0.00 0.00 71 A 7.96 3.96 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 72 L 7.92 3.69 0.00 1.36 1.45 0.36 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.43 3.28 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 0.00 74 A 7.64 3.98 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 75 I 7.42 3.76 1.80 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 1.53 0.68 0.87 0.00 0.00 76 L 7.65 3.93 0.00 1.27 1.47 -0.22 0.59 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 77 K 7.65 4.02 0.00 1.63 1.77 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.43 1.45 7.81 78 K 7.79 3.95 0.00 1.82 1.81 0.00 1.74 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.62 1.59 7.81 79 K 8.17 2.00 0.00 1.26 0.74 0.00 1.47 0.00 0.00 1.43 0.00 0.00 2.71 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.31 0.67 7.81 80 G 7.96 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 0.00 0.00 0.00 81 H 7.26 4.69 0.00 3.17 3.22 0.00 5.81 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.58 5.28 0.00 3.30 3.46 0.00 5.67 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.59 3.99 0.00 2.21 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 0.00 2.39 2.37 0.00 84 A 7.94 4.02 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 85 E 8.13 4.10 0.00 2.28 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 2.40 2.43 0.00 86 L 8.21 4.23 0.00 1.99 1.69 0.99 0.43 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 87 K 7.90 3.86 0.00 1.81 1.88 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.68 7.81 88 P 0.00 4.33 0.00 2.31 2.34 0.00 3.94 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.06 0.00 89 L 7.55 4.03 0.00 1.84 1.97 0.98 1.38 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 90 A 8.58 4.24 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Q 8.23 3.89 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 92 S 8.02 3.99 0.00 4.01 4.11 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 93 H 8.54 4.19 0.00 3.58 3.61 0.00 5.80 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 7.72 2.87 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.53 3.93 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 1.11 0.00 0.00 96 K 7.45 4.09 0.00 1.54 1.62 0.00 1.67 0.00 0.00 1.61 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.25 1.35 7.81 97 H 8.06 4.19 0.00 3.01 3.13 0.00 5.84 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.51 3.29 0.00 1.76 1.77 0.00 1.64 0.00 0.00 1.59 0.00 0.00 2.74 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.24 1.17 7.81 99 I 8.08 4.28 2.11 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 1.55 0.96 1.15 0.00 0.00 100 P 0.00 4.64 0.00 1.97 2.02 0.00 3.23 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 0.74 1.27 0.00 101 I 8.48 3.58 1.81 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.78 0.81 0.00 0.00 102 K 7.96 3.64 0.00 1.73 1.65 0.00 1.47 0.00 0.00 1.74 0.00 0.00 3.18 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.50 0.98 7.81 103 Y 8.06 4.19 0.00 3.22 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 7.96 4.25 0.00 1.85 1.81 0.71 1.08 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 0.00 105 E 7.99 4.05 0.00 2.04 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 2.40 2.49 0.00 106 F 7.83 4.49 0.00 3.20 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 0.00 107 I 8.04 3.87 1.95 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.32 1.16 0.00 0.00 108 S 8.09 4.25 0.00 4.26 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 0.00 109 E 8.46 4.03 0.00 2.18 2.26 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 2.39 2.41 0.00 110 A 8.08 4.02 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 I 8.08 3.75 2.17 0.00 0.00 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 1.75 1.04 1.07 0.00 0.00 112 I 7.90 3.86 2.13 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 1.73 0.79 1.14 0.00 0.00 113 H 8.55 4.11 0.00 3.38 3.50 0.00 5.78 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.90 3.57 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 1.01 0.00 0.00 1.01 0.00 0.00 115 L 7.83 3.76 0.00 0.46 0.54 0.80 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 116 H 7.90 4.35 0.00 3.47 3.61 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 7.86 4.17 0.00 3.93 3.84 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 0.00 0.00 0.00 118 R 7.94 4.05 0.00 1.58 1.61 0.00 3.13 0.00 0.00 2.96 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.61 0.00 119 H 8.33 5.04 0.00 3.17 3.19 0.00 5.63 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.31 0.00 2.21 2.26 0.00 3.75 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 121 G 8.16 3.65 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 0.00 0.00 0.00 122 N 8.14 4.99 0.00 2.81 2.93 0.00 0.00 6.67 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 F 7.84 4.92 0.00 2.93 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 3.92 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 0.00 125 A 8.42 3.90 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 0.00 126 D 7.95 4.19 0.00 2.65 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 0.00 127 A 7.76 3.94 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 Q 7.93 3.16 0.00 1.30 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 129 G 8.05 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 0.00 130 A 7.93 3.85 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 8.13 3.97 0.00 2.38 2.37 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.93 0.00 132 N 8.51 4.30 0.00 2.92 2.93 0.00 0.00 6.89 6.31 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 0.00 133 K 8.11 3.86 0.00 1.95 1.74 0.00 1.59 0.00 0.00 1.60 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.30 1.38 7.81 134 A 8.03 3.83 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 0.00 135 L 8.24 4.15 0.00 1.90 1.85 1.03 1.02 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 0.00 136 E 8.68 4.06 0.00 2.13 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 2.35 2.60 0.00 137 L 8.16 3.94 0.00 1.87 1.99 1.04 0.97 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 0.00 138 F 8.33 4.17 0.00 3.17 3.27 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 0.00 139 R 8.46 3.52 0.00 1.95 1.86 0.00 3.17 0.00 0.00 3.32 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 2.00 0.00 140 K 8.20 3.84 0.00 1.88 1.93 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.40 1.44 7.81 141 D 8.07 4.31 0.00 2.81 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 7.49 3.44 1.19 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 -0.25 0.18 0.00 0.00 143 A 8.02 3.90 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 0.00 144 A 7.89 3.96 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 0.00 145 K 8.03 4.03 0.00 2.13 1.96 0.00 1.59 0.00 0.00 1.66 0.00 0.00 3.08 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.56 7.81 146 Y 8.48 4.35 0.00 3.35 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 0.00 147 K 8.14 3.94 0.00 1.88 2.02 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.49 7.81 148 E 7.92 4.05 0.00 2.20 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 0.00 2.36 2.47 0.00 149 L 7.97 4.29 0.00 1.80 1.71 0.97 0.86 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 0.00 150 G 7.95 3.90 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 0.00 0.00 0.00 151 Y 7.44 4.44 0.00 2.60 2.54 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 0.00 152 Q 7.86 3.52 0.00 2.20 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.86 0.00 0.00 0.00 0.00 0.00 2.49 2.27 0.00 153 G 7.87 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