NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.3190 8.3344 116.7685 57.9713 64.2877 172.5265 5 V 3.5956 8.1040 121.7319 61.7840 31.6320 170.0194 6 V 4.1960 9.0294 128.3609 61.6358 33.7631 174.4981 7 K 4.7365 8.2077 124.3386 54.3450 35.2959 177.4066 8 S 4.1706 8.8962 118.5982 62.0962 62.8136 176.5453 9 E 4.2570 8.1468 116.4329 58.3137 29.4671 176.9033 10 D 4.7061 8.2893 119.8107 54.3998 40.6704 177.7758 11 Y 4.2514 7.6458 119.4381 59.1116 37.7878 176.8065 12 A 4.5558 7.3819 121.0997 51.8030 20.1687 176.2428 13 L 4.5787 7.4764 116.0804 52.0845 43.2118 174.9903 14 P 4.3560 0.0000 0.0000 63.1707 31.7551 175.4649 15 S 4.8384 8.2971 114.4632 56.7399 66.2959 172.1695 16 Y 4.7996 8.2565 120.8487 56.3603 39.9708 175.0903 17 V 3.8931 6.8347 122.0862 60.8392 33.8723 172.4022 18 D 4.3634 8.2579 125.5489 53.1417 41.4358 176.3612 19 R 4.1433 8.4229 117.3432 56.1871 31.3804 176.2673 20 R 3.6637 8.1214 123.5217 58.8752 30.3796 176.7679 21 D 4.8425 7.9533 114.5169 53.3630 40.5862 176.6101 22 Y 5.0322 8.5610 120.9059 55.8929 39.3424 173.3771 23 P 4.2442 0.0000 0.0000 65.0535 31.8357 176.8924 24 L 4.6576 6.7312 117.1925 51.5219 40.0574 174.2800 25 P 4.5305 0.0000 0.0000 62.4068 31.9266 177.5697 26 D 4.5130 8.7674 118.0038 56.2872 41.0744 176.8549 27 V 4.4841 7.1925 116.3602 60.4735 34.8077 174.4935 28 A 3.9999 8.3241 127.3763 51.7453 19.0872 177.0978 29 H 3.5047 8.5672 123.5961 58.2359 29.8911 175.5427 30 V 4.0720 7.3029 118.7873 60.8600 32.6372 174.7048 31 K 4.0882 8.3541 128.7018 58.2200 32.6351 176.5628 32 N 4.7345 7.8605 115.4206 51.9137 39.5815 174.2031 33 L 4.8970 8.2196 122.8996 52.9686 44.1950 177.0272 34 S 4.5257 8.8104 117.6367 57.0244 65.7157 175.2843 35 A 3.9806 8.4893 123.7101 55.7055 17.9791 180.1156 36 S 4.1096 8.0844 111.7202 61.5313 62.8908 176.6203 37 Q 3.9624 7.7709 121.8020 58.7934 28.5146 178.3839 38 K 4.0705 8.4220 119.5999 59.2774 31.9969 179.3555 39 A 3.9441 8.0477 121.1372 55.1313 18.2962 179.3618 40 L 3.9396 7.9665 118.9304 58.3387 41.8736 179.3376 41 K 4.0290 8.3506 117.9866 59.3016 32.1443 179.0091 42 E 4.1254 7.9309 118.6767 59.5037 29.5910 179.3994 43 K 3.9219 8.1614 118.3623 59.5054 31.8234 178.8407 44 E 4.3003 7.8346 118.3903 58.8286 29.6045 178.4823 45 K 4.2207 8.1542 117.4490 59.0685 32.5106 176.8949 46 A 4.3585 7.6132 121.3200 50.7810 20.7352 176.2188 47 S 4.0918 8.3484 111.2368 58.0831 63.0980 175.9211 48 W 4.6340 8.4719 127.0626 59.5119 29.2186 178.5705 49 S 4.2473 7.8098 114.4236 61.4473 62.2724 175.2441 50 S 4.5509 7.8615 114.0173 58.5953 62.6791 173.9873 51 L 4.7568 7.6557 121.1792 53.6435 43.0322 176.9773 52 S 4.6471 9.2571 116.6833 57.3276 65.7253 175.3628 53 I 3.6692 8.2803 124.4342 65.0860 36.9491 178.3224 54 D 4.3948 8.1146 118.8186 57.5420 40.6109 178.6723 55 E 4.1305 8.1588 119.0656 59.2501 29.3993 179.5679 56 K 3.9603 8.4000 119.1913 59.1522 32.0726 179.7067 57 V 3.5836 8.0936 119.0041 66.0902 31.3483 177.6356 58 E 4.0346 8.4972 117.9753 59.1776 29.6100 178.2991 59 L 4.0577 8.0626 120.4061 58.3858 42.1917 177.9527 60 Y 4.1143 8.1051 119.4036 60.9666 38.6134 178.1566 61 R 4.2106 8.6263 118.3895 58.2419 30.6471 178.0563 62 L 4.1141 7.6169 120.4656 57.2408 42.3100 178.4178 63 K 3.4953 7.7622 119.4491 57.9187 32.1030 176.5146 64 F 5.1385 6.6739 114.6403 55.6051 41.9233 175.2146 65 K 4.0773 10.1774 124.1284 57.8557 32.6945 176.7506 66 E 5.0762 8.0101 115.5869 54.1101 32.7440 176.5413 67 S 5.3553 9.0555 119.2275 57.1484 65.6223 175.4396 68 F 3.8836 9.1676 120.5122 60.7946 38.3258 177.8056 69 A 4.0337 8.1066 119.1127 54.7833 18.4719 179.0180 70 E 4.1855 7.7514 116.8077 59.5077 29.6956 179.0528 71 M 4.1034 8.0725 115.7064 57.8876 31.2414 177.2764 72 N 4.7392 8.0280 115.2963 51.8595 39.1958 175.0854 73 R 3.9979 7.4613 122.8070 56.2081 30.6231 176.2405 74 S 4.4795 8.5699 120.3105 57.9127 64.1986 173.4660 75 T 4.5612 8.1809 112.3762 60.3856 71.3200 173.4029 76 N 4.8033 8.3662 115.8284 53.4922 38.9417 177.0926 77 E 3.9851 8.4226 121.8843 59.2570 29.6508 178.4133 78 W 4.5428 8.5212 116.2230 59.9864 27.6396 178.1670 79 K 3.0809 6.3707 117.4271 59.2828 31.3096 179.4254 80 T 3.7862 7.6743 115.8660 66.4186 68.3325 176.8714 81 V 3.6091 7.7100 119.6171 66.0803 31.7184 178.0968 82 V 3.7971 8.4506 118.4028 65.9606 31.4725 178.2446 83 G 3.5856 8.4773 105.6116 47.9120 0.0000 175.6079 84 A 4.1704 8.4605 123.7654 54.5095 18.2325 179.7228 85 A 4.1327 8.2777 119.5354 55.8487 18.5274 179.7722 86 M 4.0645 8.2527 117.2749 58.3958 31.9140 178.8223 87 F 4.0750 8.3864 120.8530 61.4480 39.7205 177.3237 88 F 4.0397 8.1560 117.2426 60.4805 38.4689 177.8459 89 I 3.9631 8.1769 119.2868 63.9529 37.0862 178.5709 90 G 3.5971 8.1033 106.9548 47.8286 0.0000 175.5738 91 F 4.0422 8.0910 124.1033 61.1440 39.0959 177.1609 92 T 3.5659 7.8800 114.9227 66.5221 68.2356 176.2542 93 A 3.9929 7.8344 122.4711 54.8294 18.2382 179.7117 94 L 3.8747 7.6267 117.7999 57.8730 41.6233 179.4966 95 L 3.8239 7.3816 118.3062 57.9011 41.5707 179.4673 96 L 3.9968 7.6308 118.4811 57.7210 41.4366 179.7822 97 I 3.6669 7.8746 119.7458 64.1142 37.0586 177.9829 98 W 4.3073 8.3554 129.3251 60.7510 30.3649 177.5446 99 E 3.8869 8.7244 119.1189 59.0027 28.8392 178.5167 100 K 3.9006 7.6874 118.6149 59.9673 32.3411 177.9381 101 H 3.9837 8.0480 117.0101 58.7144 29.7872 175.8390 102 Y 4.2235 7.4133 116.8809 59.0921 38.8239 177.1415 103 V 3.7622 7.0176 117.6651 64.8217 32.2651 175.6697 104 Y 4.7120 7.8590 118.1637 57.1244 38.3259 176.1386 105 G 3.9370 8.4740 114.4871 43.8237 0.0000 170.8510 106 P 4.3845 0.0000 0.0000 62.0968 32.0083 176.3216 107 I 3.9344 7.9071 114.3804 59.3191 38.7714 173.7547 108 P 4.2620 0.0000 0.0000 63.3403 31.4573 177.0021 109 H 4.2654 8.6280 115.5190 58.2009 28.4943 176.7598 110 T 2.8032 7.0012 108.2316 62.0949 68.2637 174.6336 111 F 4.5943 7.4497 119.5167 57.6414 40.4425 176.6570 112 E 4.1903 7.9659 121.1190 56.1679 31.2773 177.1870 113 E 4.0272 8.9830 122.6704 60.0240 29.6469 179.6011 114 E 3.9757 8.2775 118.2575 59.0866 29.6786 178.3542 115 W 3.9106 8.3141 127.8533 60.7020 30.7867 178.2271 116 V 3.4777 8.0822 111.6750 64.1058 30.9476 178.5754 117 A 4.0386 7.9165 120.3259 54.9901 18.2479 179.7006 118 K 3.7530 8.4777 117.3082 59.7987 32.0863 179.2725 119 Q 3.8867 8.6233 120.4863 59.6420 28.8054 178.6971 120 T 4.0552 8.2985 117.2229 66.2267 68.4216 176.6946 121 K 3.6262 8.0200 121.6411 59.3442 32.2480 178.7257 122 R 3.8062 7.9894 118.9518 59.8527 29.9990 178.2713 123 M 4.0953 8.3319 118.6455 58.5768 31.6467 178.8524 124 L 4.1842 8.2254 119.1020 57.5044 41.3785 179.4094 125 D 4.3511 7.9106 118.8879 57.3531 40.9689 177.9326 126 M 4.2282 7.9772 113.9919 54.8697 32.0336 175.8156 127 K 4.2525 7.6711 117.2769 56.8204 30.0232 176.6037 128 V 3.4320 8.3806 118.7408 64.5649 32.5501 174.8813 129 A 3.7662 8.8396 129.8781 52.7889 15.6021 175.2645 130 P 4.3458 0.0000 0.0000 65.3698 32.2179 179.3688 131 I 3.9590 7.7477 118.7698 63.6744 37.4162 176.1210 132 Q 4.7451 8.1479 116.0090 57.2057 35.7697 175.3874 133 G 3.6120 7.6775 104.8661 46.9784 0.0000 173.2318 134 F 4.8874 7.9232 118.7457 58.5237 42.3977 178.1480 135 S 4.3262 9.2039 118.2209 61.3693 63.2086 176.3322 136 A 4.4145 8.1527 120.7883 53.4573 18.6340 177.4684 137 K 4.8204 8.7058 116.4281 55.7075 33.3559 175.5385 138 W 4.9956 8.0556 128.3763 55.7477 34.0428 174.9121 139 D 4.4618 7.1890 126.6541 52.1680 39.2772 176.1143 140 Y 4.6083 8.1997 120.8178 60.4526 37.8705 177.2063 141 D 4.5248 7.5036 119.5879 56.6796 41.5362 176.8013 142 K 4.0109 8.5800 117.8877 56.9082 32.5488 178.0657 143 N 3.8107 7.8247 115.2716 52.9788 36.1682 172.7671 144 E 4.0316 5.9000 117.7171 54.0702 33.8410 176.1902 145 W 4.6261 8.2231 121.0863 56.5636 29.4981 176.0964 146 K 3.7981 8.1702 126.6131 57.1019 32.3620 176.5453 147 K 4.0616 8.3098 126.1164 57.1129 31.9698 174.8551 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 4 S 8.33 4.32 0.00 3.81 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 5 V 8.10 3.60 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 0.73 0.00 0.00 0.92 0.00 0.00 6 V 9.03 4.20 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 0.91 0.00 0.00 0.98 0.00 0.00 7 K 8.21 4.74 0.00 2.17 1.99 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.36 7.81 8 S 8.90 4.17 0.00 3.92 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 9 E 8.15 4.26 0.00 1.92 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 2.33 2.43 0.00 10 D 8.29 4.71 0.00 2.92 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 11 Y 7.65 4.25 0.00 2.93 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 12 A 7.38 4.56 1.02 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 13 L 7.48 4.58 0.00 1.74 1.58 0.88 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 14 P 0.00 4.36 0.00 2.07 2.05 0.00 3.62 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 2.05 2.12 0.00 15 S 8.30 4.84 0.00 3.99 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 8.26 4.80 0.00 2.90 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 17 V 6.83 3.89 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 0.68 0.00 0.00 0.83 0.00 0.00 18 D 8.26 4.36 0.00 2.56 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 19 R 8.42 4.14 0.00 1.86 1.91 0.00 2.95 0.00 0.00 3.54 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.62 0.00 20 R 8.12 3.66 0.00 1.82 2.11 0.00 3.36 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.52 0.00 21 D 7.95 4.84 0.00 2.83 2.79 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 0.00 0.00 0.00 0.00 22 Y 8.56 5.03 0.00 2.80 2.85 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 23 P 0.00 4.24 0.00 2.31 2.48 0.00 3.82 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 2.00 2.07 0.00 24 L 6.73 4.66 0.00 1.58 1.66 0.95 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 25 P 0.00 4.53 0.00 2.43 2.35 0.00 4.06 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 2.39 2.35 0.00 26 D 8.77 4.51 0.00 2.94 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 27 V 7.19 4.48 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 0.80 0.00 0.00 0.97 0.00 0.00 28 A 8.32 4.00 1.10 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 29 H 8.57 3.50 0.00 2.24 3.18 0.00 5.90 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 30 V 7.30 4.07 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 0.73 0.00 0.00 0.67 0.00 0.00 31 K 8.35 4.09 0.00 1.65 1.75 0.00 1.70 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.38 1.41 7.81 32 N 7.86 4.73 0.00 2.71 2.70 0.00 0.00 6.76 7.85 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 33 L 8.22 4.90 0.00 1.58 1.53 0.89 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.81 4.53 0.00 4.03 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 35 A 8.49 3.98 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 36 S 8.08 4.11 0.00 4.06 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 37 Q 7.77 3.96 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 38 K 8.42 4.07 0.00 1.95 1.86 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.60 7.81 39 A 8.05 3.94 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 40 L 7.97 3.94 0.00 1.90 1.75 1.04 0.41 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 41 K 8.35 4.03 0.00 1.95 1.86 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.67 1.61 7.81 42 E 7.93 4.13 0.00 2.17 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 2.62 2.50 0.00 43 K 8.16 3.92 0.00 1.99 1.93 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.68 7.81 44 E 7.83 4.30 0.00 2.13 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 0.00 2.67 2.43 0.00 45 K 8.15 4.22 0.00 1.79 1.87 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.33 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.52 1.67 7.81 46 A 7.61 4.36 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 47 S 8.35 4.09 0.00 3.81 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 48 W 8.47 4.63 0.00 3.46 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 49 S 7.81 4.25 0.00 3.84 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 50 S 7.86 4.55 0.00 4.10 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 51 L 7.66 4.76 0.00 1.91 1.62 1.05 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 52 S 9.26 4.65 0.00 4.01 4.18 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 53 I 8.28 3.67 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.66 0.90 0.00 0.00 54 D 8.11 4.39 0.00 2.69 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 55 E 8.16 4.13 0.00 2.25 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 2.34 2.36 0.00 56 K 8.40 3.96 0.00 1.96 1.81 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.39 1.51 7.81 57 V 8.09 3.58 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.93 0.00 0.00 58 E 8.50 4.03 0.00 2.06 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 2.33 2.33 0.00 59 L 8.06 4.06 0.00 2.10 1.67 0.91 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 60 Y 8.11 4.11 0.00 3.15 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 R 8.63 4.21 0.00 1.84 2.06 0.00 3.49 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.91 0.00 62 L 7.62 4.11 0.00 1.99 1.51 0.88 0.75 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 63 K 7.76 3.50 0.00 1.48 1.10 0.00 1.17 0.00 0.00 1.32 0.00 0.00 2.77 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.30 0.26 7.81 64 F 6.67 5.14 0.00 2.54 2.85 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 65 K 10.18 4.08 0.00 1.42 2.35 0.00 1.86 0.00 0.00 1.81 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.20 7.81 66 E 8.01 5.08 0.00 2.07 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.39 0.00 67 S 9.06 5.36 0.00 4.12 4.13 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 68 F 9.17 3.88 0.00 3.05 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 69 A 8.11 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 70 E 7.75 4.19 0.00 2.30 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 2.36 0.00 71 M 8.07 4.10 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.61 0.00 72 N 8.03 4.74 0.00 2.83 2.91 0.00 0.00 6.95 8.52 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 73 R 7.46 4.00 0.00 1.94 2.05 0.00 3.27 0.00 0.00 3.29 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 74 S 8.57 4.48 0.00 4.07 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 T 8.18 4.56 4.26 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 1.23 0.00 0.00 76 N 8.37 4.80 0.00 2.73 2.73 0.00 0.00 6.43 7.66 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 77 E 8.42 3.99 0.00 2.05 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 2.42 2.39 0.00 78 W 8.52 4.54 0.00 3.64 3.38 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 79 K 6.37 3.08 0.00 1.44 1.35 0.00 1.24 0.00 0.00 1.21 0.00 0.00 2.81 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.30 0.21 7.81 80 T 7.67 3.79 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 81 V 7.71 3.61 2.33 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 1.11 0.00 0.00 0.99 0.00 0.00 82 V 8.45 3.80 2.37 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 1.12 0.00 0.00 1.26 0.00 0.00 83 G 8.48 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.46 4.17 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.28 4.13 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 86 M 8.25 4.06 0.00 2.16 2.35 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 3.06 2.63 0.00 87 F 8.39 4.08 0.00 3.11 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 88 F 8.16 4.04 0.00 3.29 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 89 I 8.18 3.96 2.05 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.68 0.94 0.00 0.00 90 G 8.10 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 91 F 8.09 4.04 0.00 2.57 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 92 T 7.88 3.57 4.43 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 1.16 0.00 0.00 93 A 7.83 3.99 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 94 L 7.63 3.87 0.00 1.47 1.61 0.99 0.38 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 95 L 7.38 3.82 0.00 1.62 1.56 0.75 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 96 L 7.63 4.00 0.00 1.79 1.72 0.91 1.31 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 97 I 7.87 3.67 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 1.41 0.71 0.92 0.00 0.00 98 W 8.36 4.31 0.00 3.39 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 99 E 8.72 3.89 0.00 2.16 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 1.94 1.47 0.00 100 K 7.69 3.90 0.00 1.90 2.02 0.00 1.87 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.48 7.81 101 H 8.05 3.98 0.00 2.93 2.83 0.00 5.78 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 0.00 102 Y 7.41 4.22 0.00 1.56 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 V 7.02 3.76 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 0.74 0.00 0.00 0.85 0.00 0.00 104 Y 7.86 4.71 0.00 3.06 2.72 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 0.00 105 G 8.47 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 0.00 106 P 0.00 4.38 0.00 2.16 2.02 0.00 3.74 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 1.95 1.92 0.00 107 I 7.91 3.93 1.61 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 1.49 0.23 0.65 0.00 0.00 108 P 0.00 4.26 0.00 2.06 2.19 0.00 3.75 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 2.53 2.10 0.00 109 H 8.63 4.27 0.00 3.49 3.55 0.00 5.65 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 T 7.00 2.80 3.39 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 -0.42 0.00 0.00 111 F 7.45 4.59 0.00 3.15 3.05 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 0.00 0.00 0.00 112 E 7.97 4.19 0.00 2.19 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 2.49 0.00 113 E 8.98 4.03 0.00 2.07 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 2.48 2.46 0.00 114 E 8.28 3.98 0.00 2.08 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 2.37 2.38 0.00 115 W 8.31 3.91 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 0.00 116 V 8.08 3.48 2.20 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 0.86 0.00 0.00 1.08 0.00 0.00 117 A 7.92 4.04 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 0.00 118 K 8.48 3.75 0.00 1.56 1.59 0.00 1.55 0.00 0.00 1.48 0.00 0.00 2.81 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.59 1.38 7.81 119 Q 8.62 3.89 0.00 2.30 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.50 0.00 120 T 8.30 4.06 4.46 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 0.00 0.00 0.00 1.46 0.00 0.00 121 K 8.02 3.63 0.00 1.85 1.94 0.00 1.32 0.00 0.00 1.49 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.39 7.81 122 R 7.99 3.81 0.00 1.83 2.00 0.00 3.09 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 1.60 1.64 0.00 123 M 8.33 4.10 0.00 2.18 2.33 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.92 2.58 0.00 124 L 8.23 4.18 0.00 1.60 1.25 -1.15 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 125 D 7.91 4.35 0.00 2.76 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 0.00 126 M 7.98 4.23 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.85 0.00 127 K 7.67 4.25 0.00 1.96 2.06 0.00 1.65 0.00 0.00 1.41 0.00 0.00 2.22 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.40 1.54 7.81 128 V 8.38 3.43 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 0.95 0.00 0.00 0.98 0.00 0.00 129 A 8.84 3.77 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 0.00 130 P 0.00 4.35 0.00 2.27 2.29 0.00 3.84 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.04 0.00 131 I 7.75 3.96 1.92 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 1.46 0.59 0.95 0.00 0.00 132 Q 8.15 4.75 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.07 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 133 G 7.68 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 0.00 0.00 0.00 134 F 7.92 4.89 0.00 3.04 3.30 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 0.00 135 S 9.20 4.33 0.00 4.12 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 0.00 136 A 8.15 4.41 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 0.00 137 K 8.71 4.82 0.00 1.89 1.87 0.00 1.80 0.00 0.00 1.56 0.00 0.00 2.79 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.40 1.42 7.81 138 W 8.06 5.00 0.00 2.86 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 D 7.19 4.46 0.00 2.33 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 0.00 0.00 0.00 140 Y 8.20 4.61 0.00 3.12 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 0.00 141 D 7.50 4.52 0.00 2.85 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 0.00 142 K 8.58 4.01 0.00 1.59 1.70 0.00 1.93 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.40 1.32 7.81 143 N 7.82 3.81 0.00 2.77 3.01 0.00 0.00 6.68 6.95 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 0.00 144 E 5.90 4.03 0.00 1.75 1.71 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 1.89 1.99 0.00 145 W 8.22 4.63 0.00 3.18 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 0.00 146 K 8.17 3.80 0.00 1.71 1.73 0.00 1.95 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.45 1.37 7.81 147 K 8.31 4.06 0.00 1.70 1.58 0.00 1.74 0.00 0.00 1.73 0.00 0.00 3.12 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.31 1.46 7.81