NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.1229 8.0549 114.0553 61.0407 33.0373 174.6908 2 L 4.0722 8.0530 121.6569 51.9623 42.5066 176.1407 3 S 4.4457 9.0624 118.2992 57.9912 66.0188 174.9581 4 E 4.2446 8.7847 121.9380 59.4534 29.2426 178.8114 5 G 3.6704 8.0998 105.3717 47.8624 0.0000 175.3890 6 E 4.0138 8.1168 120.7734 58.8179 29.4026 179.3814 7 W 4.3257 8.3817 119.4015 59.6876 29.0250 178.3446 8 Q 4.0966 8.4415 119.7974 59.1582 28.3569 178.2127 9 L 4.0695 7.8946 120.0262 57.5250 41.5669 179.7789 10 V 3.7398 7.6661 118.1490 66.2428 31.6740 178.1935 11 L 4.3328 8.4032 118.5509 57.4466 41.1783 178.9482 12 H 4.2173 8.6026 119.0968 59.3576 30.0176 177.7606 13 V 3.4770 7.8173 120.9704 64.4381 31.2659 178.1252 14 W 3.9238 8.4078 128.9976 60.0295 30.2968 177.7299 15 A 4.0340 8.0190 120.2253 55.0836 18.0279 179.5041 16 K 3.9416 7.4625 116.6752 59.5283 32.1170 179.6584 17 V 2.8667 6.9989 118.0937 65.6521 30.9660 177.2809 18 E 3.9847 7.3767 115.5415 57.4530 29.4428 178.2171 19 A 4.1762 7.6504 120.9459 53.8775 20.1157 177.7148 20 D 4.6541 7.7715 116.0845 52.4128 42.9452 175.6869 21 V 3.4252 7.7771 123.5577 65.9033 32.1688 176.7623 22 A 4.0467 7.9906 120.1577 55.0783 18.2399 179.7385 23 G 3.4681 8.3401 104.3229 48.0490 0.0000 175.6689 24 H 4.1148 8.2644 118.8143 58.6826 28.7356 178.1644 25 G 3.5720 8.3067 107.6090 47.6779 0.0000 175.6464 26 Q 3.8589 8.0272 120.3277 59.0473 28.7243 178.6810 27 D 4.3172 7.9583 119.6208 57.3926 40.7291 179.2359 28 I 3.6303 7.6954 120.0978 64.4677 37.1223 178.5305 29 L 3.4131 7.6544 119.7343 57.4665 41.2165 179.7714 30 I 3.5582 7.4900 119.7624 64.3065 37.0128 178.2795 31 R 3.7824 8.0602 119.8342 59.2944 29.7162 178.2204 32 L 3.9235 7.9157 120.1351 58.3940 41.9737 179.1271 33 F 4.5967 8.0616 117.7626 60.3173 38.5582 177.9170 34 K 4.0582 8.1442 117.8318 59.3042 32.0698 179.2548 35 S 4.3021 8.0635 114.7803 60.3309 63.9879 174.3492 36 H 4.6565 8.2286 118.8288 52.0455 29.5945 171.8703 37 P 4.6769 0.0000 0.0000 64.5218 31.2690 177.5333 38 E 4.1123 8.2613 116.3676 59.4560 29.4205 179.1621 39 T 3.8275 8.3609 111.4382 64.4927 68.7879 176.3366 40 L 3.5585 7.9162 122.8848 57.6668 41.8189 178.2028 41 E 4.1061 7.8094 117.9677 58.2025 29.6161 178.2415 42 K 4.4020 8.0751 117.1379 57.5881 32.8420 177.2292 43 F 4.6109 8.0757 118.8923 55.6550 39.2436 175.6068 44 D 4.4248 8.5398 125.0530 57.5498 40.4719 179.0079 45 R 3.6820 7.8201 117.1249 58.1379 30.3205 177.7753 46 F 5.1144 7.6356 114.5706 56.8430 39.9293 176.9014 47 K 4.2033 7.6601 118.4418 58.8043 32.7016 177.5589 48 H 4.3784 8.0794 114.8960 57.3898 29.0701 175.4016 49 L 4.1271 7.5122 121.6479 54.4941 41.6795 176.6608 50 K 4.4229 9.3854 123.5366 56.4903 34.2463 176.6585 51 T 4.7195 7.5145 107.8852 58.8822 73.0145 174.3476 52 E 3.8844 8.5849 121.0074 59.3394 29.4340 178.5082 53 A 3.9632 7.9095 119.1600 55.3372 18.6384 178.8762 54 E 4.0536 8.3055 116.9760 59.7381 29.6330 179.4620 55 M 3.9852 8.0975 118.5773 58.5496 31.9069 179.0945 56 K 3.9705 8.1615 116.7305 58.8568 32.2080 178.5244 57 A 4.4125 7.4081 119.7118 52.2349 19.1275 177.2755 58 S 4.2153 7.4370 113.3891 57.9622 62.9218 174.5366 59 E 4.0165 8.8585 128.9586 59.1752 29.4980 177.9956 60 D 4.4451 8.1363 117.9439 57.0268 41.3849 177.7440 61 L 3.4236 8.0302 120.9911 57.9444 41.9944 178.7785 62 K 3.8395 7.7748 119.3875 59.4782 32.0237 178.8684 63 K 4.0065 8.1547 118.7262 59.7570 31.9462 178.7669 64 H 4.4232 8.5699 118.7076 59.2803 29.7676 177.4442 65 G 3.5667 8.3050 107.6429 47.7834 0.0000 175.8686 66 V 3.6288 7.6924 120.2141 65.9854 31.6432 178.2025 67 T 3.8954 7.8047 115.5211 66.6832 68.3207 176.7802 68 V 3.6232 7.9614 120.2253 66.0982 31.5597 178.1023 69 L 4.3214 8.0493 118.6014 57.7105 41.5352 179.5825 70 T 3.9668 8.2153 115.8880 66.5836 68.3228 176.5603 71 A 4.0223 7.9402 122.2727 54.9747 18.3206 179.4969 72 L 3.7491 8.1065 119.0498 58.1404 42.1954 179.3506 73 G 3.2512 8.3653 105.6277 47.7181 0.0000 175.5031 74 A 4.0274 7.7197 121.9984 54.7060 18.6013 179.6529 75 I 3.8211 7.3569 118.2232 64.4659 37.2547 178.3565 76 L 3.9190 7.8261 120.1755 57.8369 41.2599 179.5320 77 K 4.0146 7.6728 115.6936 57.9230 32.2008 178.4958 78 K 4.0027 7.9643 118.6337 55.5438 33.1369 176.1262 79 K 2.0000 8.1282 118.4562 56.4315 29.6227 175.3550 80 G 4.0339 7.6200 105.9541 46.1850 0.0000 172.9832 81 H 4.5692 7.5965 118.3859 55.8585 27.9088 175.6275 82 H 5.2534 7.1386 111.3897 54.8141 30.2754 176.4353 83 E 3.9540 8.1963 122.4807 60.6348 29.2935 178.5219 84 A 4.0542 7.9515 118.7896 55.1042 17.4251 178.9004 85 E 4.1402 8.1399 116.5593 58.7330 29.7488 178.3570 86 L 4.3424 7.8759 119.9201 56.6572 42.3204 178.5915 87 K 3.9044 8.0141 119.9992 59.1943 32.2271 177.0429 88 P 4.2955 0.0000 0.0000 65.3038 31.2015 178.4476 89 L 4.0287 7.5055 116.6855 58.1447 42.0653 178.9221 90 A 4.1509 8.3479 121.0149 54.9760 18.1965 179.6479 91 Q 3.8913 8.2592 116.9835 59.2290 28.8705 179.2463 92 S 3.9953 8.1245 115.2089 61.8209 63.0497 176.2026 93 H 4.3452 8.6517 119.5449 57.9725 28.1570 177.7589 94 A 2.8849 7.6603 122.3719 54.6374 18.3802 179.0367 95 T 3.6712 7.3564 106.4073 63.1095 69.6118 175.7641 96 K 4.0833 7.2819 120.8161 58.5166 32.9527 177.2651 97 H 4.2086 8.2489 115.5163 56.5555 29.3474 175.6596 98 K 3.6391 7.5718 117.1624 57.1600 28.5104 175.3954 99 I 4.2182 8.2817 118.6458 58.6575 38.5942 174.8564 100 P 4.5044 0.0000 0.0000 62.8204 31.9810 177.7360 101 I 3.6050 8.8232 122.0350 64.3419 36.8907 178.8763 102 K 3.7536 7.8773 120.1319 59.5598 31.9205 178.3210 103 Y 4.0714 8.0026 117.1637 60.8471 37.7476 178.1623 104 L 4.1327 7.9039 119.6621 57.5725 41.7565 178.9917 105 E 3.9423 7.9810 119.3292 59.2565 29.6042 178.7114 106 F 4.4933 7.7951 117.8256 60.9829 38.9583 177.6352 107 I 3.8927 8.3046 118.0634 63.8334 37.7753 178.0306 108 S 4.1890 8.2201 116.4645 61.7832 62.7257 176.5189 109 E 4.0920 8.3805 120.8824 59.1884 29.1686 179.3470 110 A 4.0296 8.1243 120.9857 55.1730 18.4194 179.6050 111 I 3.6810 8.1149 118.7046 64.8029 37.1570 178.8164 112 I 3.8357 7.8418 120.4307 64.4405 36.9519 177.8815 113 H 4.0983 8.4049 119.2005 59.4181 29.7289 177.5586 114 V 3.5501 7.9017 119.8991 65.9227 31.3712 177.9084 115 L 3.8030 7.9442 118.9063 57.9520 41.0141 179.0683 116 H 4.4573 7.5861 117.1453 59.3212 29.9072 177.2517 117 S 4.1310 7.9380 116.2444 61.0787 62.7063 176.0672 118 R 4.2068 7.6398 118.9757 56.9782 31.3610 176.3972 119 H 4.9602 8.0500 116.4212 53.4006 30.1120 172.9022 120 P 4.2709 0.0000 0.0000 66.1152 31.2416 179.0638 121 G 3.6436 8.1306 106.0118 47.3185 0.0000 173.6063 122 D 4.9307 8.2251 117.7848 54.1016 41.7380 176.1395 123 F 4.9736 8.1703 120.6448 56.6275 39.6697 174.4916 124 G 3.8825 7.6840 108.6739 44.0734 0.0000 172.0934 125 A 4.1084 8.4315 120.8254 55.2031 18.2892 179.6684 126 D 4.2330 7.9333 116.9678 56.4683 39.5101 178.5911 127 A 3.8941 7.6989 121.7512 54.8280 18.4218 179.2088 128 Q 3.2344 7.8211 117.0599 58.9037 28.6926 179.6850 129 G 3.4849 8.4108 106.5640 47.7044 0.0000 175.5779 130 A 3.8487 7.9391 123.4055 55.0475 18.3433 179.4690 131 M 4.0166 8.3723 117.0774 58.5689 32.2595 177.8932 132 N 4.3063 8.4561 117.5951 56.6567 39.1113 176.8553 133 K 3.8280 8.1458 119.6352 59.5273 32.1375 179.1485 134 A 3.8684 7.9929 120.9226 55.1142 18.2112 179.7442 135 L 4.0609 8.2022 117.6376 57.8087 41.6820 179.4517 136 E 3.9699 8.4678 118.8503 59.3692 29.4315 179.0771 137 L 3.9691 8.0976 120.3060 58.1621 42.2725 178.6971 138 F 4.0859 8.1979 120.4767 61.5371 39.2886 177.3811 139 R 3.6082 8.2724 117.7093 58.9006 29.9277 179.0228 140 K 3.9091 8.1396 119.5643 59.5544 31.9924 178.7610 141 D 4.3570 8.0471 119.2291 57.1831 40.6208 178.8626 142 I 3.4991 7.2370 119.9867 64.0466 36.9544 178.1651 143 A 3.6694 8.1066 121.8506 54.9949 18.1173 179.5868 144 A 3.9247 7.8311 119.0574 55.2452 18.4655 180.0853 145 K 4.0298 7.7390 116.9452 59.5783 32.0722 179.1245 146 Y 4.2759 8.3224 117.2624 61.0649 37.8219 178.7125 147 K 3.9411 8.4102 120.4876 59.4920 32.1157 177.9263 148 E 3.8922 7.9165 118.2233 59.7754 29.6139 178.7671 149 L 4.3335 7.8665 115.9136 55.6164 41.8679 177.7796 150 G 3.7962 8.1037 107.1733 45.7277 0.0000 172.4927 151 Y 3.9488 7.9629 117.7857 57.3809 39.3386 177.3610 152 Q 3.0621 8.3546 118.5956 57.1392 27.1810 175.7060 153 G 3.7384 8.2292 113.9600 45.9763 0.0000 171.5237 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 2.17 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 0.93 0.00 0.00 0.96 0.00 0.00 2 L 8.05 4.07 0.00 0.50 0.62 0.54 -0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.06 4.45 0.00 4.03 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.78 4.24 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 2.51 0.00 5 G 8.10 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.12 4.01 0.00 1.94 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.26 0.00 7 W 8.38 4.33 0.00 3.60 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 8.44 4.10 0.00 2.23 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 9 L 7.89 4.07 0.00 1.86 1.75 0.98 1.21 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 10 V 7.67 3.74 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 1.23 0.00 0.00 0.91 0.00 0.00 11 L 8.40 4.33 0.00 1.87 1.81 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.60 4.22 0.00 3.45 3.53 0.00 5.78 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.82 3.48 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 0.99 0.00 0.00 0.84 0.00 0.00 14 W 8.41 3.92 0.00 3.67 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 15 A 8.02 4.03 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 16 K 7.46 3.94 0.00 1.92 1.51 0.00 1.46 0.00 0.00 1.58 0.00 0.00 2.82 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.38 1.42 7.81 17 V 7.00 2.87 0.79 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 -0.07 0.00 0.00 0.29 0.00 0.00 18 E 7.38 3.98 0.00 2.04 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 2.13 2.15 0.00 19 A 7.65 4.18 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 20 D 7.77 4.65 0.00 2.71 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 7.78 3.43 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 1.04 0.00 0.00 0.90 0.00 0.00 22 A 7.99 4.05 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 8.34 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 H 8.26 4.11 0.00 3.32 3.21 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 8.31 3.57 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 0.00 26 Q 8.03 3.86 0.00 2.24 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.72 0.00 0.00 0.00 0.00 0.00 2.29 2.43 0.00 27 D 7.96 4.32 0.00 2.73 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 28 I 7.70 3.63 1.93 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 1.50 0.69 0.88 0.00 0.00 29 L 7.65 3.41 0.00 1.33 0.89 0.79 0.57 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 30 I 7.49 3.56 1.84 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.59 0.87 0.00 0.00 31 R 8.06 3.78 0.00 1.87 2.13 0.00 3.05 0.00 0.00 3.00 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 32 L 7.92 3.92 0.00 1.74 1.44 1.06 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.06 4.60 0.00 2.99 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 34 K 8.14 4.06 0.00 1.68 1.83 0.00 1.69 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.66 7.81 35 S 8.06 4.30 0.00 3.76 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 8.23 4.66 0.00 3.03 3.00 0.00 5.62 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 37 P 0.00 4.68 0.00 2.07 2.10 0.00 4.05 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.86 0.00 38 E 8.26 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 2.27 2.52 0.00 39 T 8.36 3.83 4.47 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 0.88 0.00 0.00 40 L 7.92 3.56 0.00 1.44 1.73 -0.06 0.57 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 41 E 7.81 4.11 0.00 2.07 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 0.00 2.36 2.43 0.00 42 K 8.08 4.40 0.00 1.94 1.61 0.00 1.89 0.00 0.00 1.73 0.00 0.00 3.12 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.73 1.86 7.81 43 F 8.08 4.61 0.00 3.18 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 44 D 8.54 4.42 0.00 2.64 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 45 R 7.82 3.68 0.00 1.19 0.66 0.00 3.05 0.00 0.00 3.03 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.53 0.00 46 F 7.64 5.11 0.00 2.85 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 47 K 7.66 4.20 0.00 1.98 2.01 0.00 1.63 0.00 0.00 1.84 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.71 1.47 7.81 48 H 8.08 4.38 0.00 3.31 3.50 0.00 5.52 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 7.51 4.13 0.00 1.63 1.58 0.83 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.39 4.42 0.00 1.67 1.82 0.00 1.65 0.00 0.00 1.74 0.00 0.00 3.18 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.48 7.81 51 T 7.51 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 1.21 0.00 0.00 52 E 8.58 3.88 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 3.96 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 54 E 8.31 4.05 0.00 2.15 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 55 M 8.10 3.99 0.00 2.04 2.28 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.58 0.00 56 K 8.16 3.97 0.00 1.82 1.85 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.43 1.59 7.81 57 A 7.41 4.41 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 58 S 7.44 4.22 0.00 3.93 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.86 4.02 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 2.44 0.00 60 D 8.14 4.45 0.00 2.96 2.93 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 61 L 8.03 3.42 0.00 1.33 1.60 0.06 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.77 3.84 0.00 1.78 1.99 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.46 7.81 63 K 8.15 4.01 0.00 2.13 1.93 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.49 7.81 64 H 8.57 4.42 0.00 3.67 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 8.30 3.57 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 0.00 66 V 7.69 3.63 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 1.04 0.00 0.00 0.98 0.00 0.00 67 T 7.80 3.90 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 1.29 0.00 0.00 68 V 7.96 3.62 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 1.08 0.00 0.00 0.96 0.00 0.00 69 L 8.05 4.32 0.00 1.80 1.83 0.89 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.22 3.97 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 1.26 0.00 0.00 71 A 7.94 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 72 L 8.11 3.75 0.00 1.75 1.77 0.22 0.78 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 8.37 3.25 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 74 A 7.72 4.03 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 75 I 7.36 3.82 1.91 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 1.55 0.74 0.96 0.00 0.00 76 L 7.83 3.92 0.00 1.12 1.52 -0.02 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.67 4.01 0.00 1.71 1.78 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.17 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.44 1.47 7.81 78 K 7.96 4.00 0.00 1.84 1.79 0.00 1.78 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.61 1.75 7.81 79 K 8.13 2.00 0.00 1.27 0.74 0.00 1.52 0.00 0.00 1.40 0.00 0.00 2.79 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.39 0.75 7.81 80 G 7.62 4.03 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 0.00 81 H 7.60 4.57 0.00 3.19 3.28 0.00 5.82 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 82 H 7.14 5.25 0.00 3.35 3.47 0.00 5.64 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.20 3.95 0.00 2.09 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 2.41 2.45 0.00 84 A 7.95 4.05 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 8.14 4.14 0.00 2.22 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 2.39 2.43 0.00 86 L 7.88 4.34 0.00 1.77 1.70 0.70 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 87 K 8.01 3.90 0.00 2.03 1.80 0.00 1.72 0.00 0.00 1.84 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.64 7.81 88 P 0.00 4.30 0.00 2.23 2.11 0.00 3.78 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 2.20 2.15 0.00 89 L 7.51 4.03 0.00 1.88 1.83 1.09 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.35 4.15 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 91 Q 8.26 3.89 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.69 0.00 92 S 8.12 4.00 0.00 3.98 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 93 H 8.65 4.35 0.00 3.54 3.59 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 7.66 2.88 0.31 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 95 T 7.36 3.67 4.12 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 1.04 0.00 0.00 96 K 7.28 4.08 0.00 1.55 1.57 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.23 1.35 7.81 97 H 8.25 4.21 0.00 2.93 3.18 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 7.57 3.64 0.00 1.84 1.79 0.00 1.71 0.00 0.00 1.67 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.35 7.81 99 I 8.28 4.22 2.05 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 1.33 0.96 1.11 0.00 0.00 100 P 0.00 4.50 0.00 1.57 1.74 0.00 2.60 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 1.75 0.00 101 I 8.82 3.61 1.80 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.01 0.76 0.00 0.00 102 K 7.88 3.75 0.00 1.75 1.68 0.00 1.57 0.00 0.00 1.75 0.00 0.00 3.14 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 0.69 7.81 103 Y 8.00 4.07 0.00 3.23 3.07 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 0.00 104 L 7.90 4.13 0.00 1.84 1.84 0.70 1.03 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 0.00 105 E 7.98 3.94 0.00 2.00 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 2.38 0.00 106 F 7.80 4.49 0.00 3.25 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 0.00 107 I 8.30 3.89 2.02 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 1.07 0.00 0.00 108 S 8.22 4.19 0.00 4.19 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 0.00 109 E 8.38 4.09 0.00 2.31 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 0.00 2.63 2.60 0.00 110 A 8.12 4.03 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 8.11 3.68 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 1.57 0.84 1.02 0.00 0.00 112 I 7.84 3.84 2.12 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.44 1.14 0.00 0.00 113 H 8.40 4.10 0.00 3.43 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 3.55 2.12 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 0.90 0.00 0.00 0.97 0.00 0.00 115 L 7.94 3.80 0.00 0.61 0.54 0.68 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 116 H 7.59 4.46 0.00 3.47 3.53 0.00 5.95 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.94 4.13 0.00 3.92 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 R 7.64 4.21 0.00 1.64 1.56 0.00 2.70 0.00 0.00 2.87 7.63 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 8.05 4.96 0.00 3.20 3.21 0.00 5.65 0.00 0.00 0.00 0.00 6.74 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 4.27 0.00 2.22 2.28 0.00 3.61 0.00 0.00 3.81 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 8.13 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 0.00 122 D 8.23 4.93 0.00 2.76 2.83 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 0.00 0.00 0.00 123 F 8.17 4.97 0.00 2.99 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 0.00 124 G 7.68 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 8.43 4.11 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 7.93 4.23 0.00 2.83 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 A 7.70 3.89 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 Q 7.82 3.23 0.00 1.95 1.93 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 1.71 1.90 0.00 129 G 8.41 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 A 7.94 3.85 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 0.00 131 M 8.37 4.02 0.00 2.39 2.39 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.86 0.00 132 N 8.46 4.31 0.00 2.94 2.94 0.00 0.00 7.20 8.01 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 0.00 133 K 8.15 3.83 0.00 1.87 1.67 0.00 1.57 0.00 0.00 1.49 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.53 7.81 134 A 7.99 3.87 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 0.00 135 L 8.20 4.06 0.00 1.90 1.80 0.99 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.47 3.97 0.00 2.18 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 2.59 0.00 137 L 8.10 3.97 0.00 1.80 1.97 0.98 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.20 4.09 0.00 3.17 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 0.00 139 R 8.27 3.61 0.00 2.12 1.87 0.00 3.13 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.88 0.00 140 K 8.14 3.91 0.00 1.79 2.01 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.45 7.81 141 D 8.05 4.36 0.00 2.67 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 0.00 142 I 7.24 3.50 1.42 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 -0.15 0.22 0.00 0.00 143 A 8.11 3.67 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 7.83 3.92 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 7.74 4.03 0.00 2.06 1.95 0.00 1.58 0.00 0.00 1.65 0.00 0.00 3.07 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.54 7.81 146 Y 8.32 4.28 0.00 3.07 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 0.00 147 K 8.41 3.94 0.00 1.98 1.98 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.47 7.81 148 E 7.92 3.89 0.00 2.04 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 0.00 2.37 2.41 0.00 149 L 7.87 4.33 0.00 1.87 1.94 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 150 G 8.10 3.80 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 0.00 0.00 0.00 151 Y 7.96 3.95 0.00 2.70 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 0.00 152 Q 8.35 3.06 0.00 2.23 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.78 0.00 0.00 0.00 0.00 0.00 2.29 2.50 0.00 153 G 8.23 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