NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 W 4.8165 8.2593 117.8768 55.8266 30.2689 175.1131 5 V 3.2063 6.4571 119.9661 59.8401 31.7932 173.7588 6 P 4.4876 0.0000 0.0000 61.4864 33.1060 176.9738 7 P 4.5796 0.0000 0.0000 65.6555 31.3003 178.8284 8 E 4.0393 8.3109 117.3171 59.4422 29.3437 179.2571 9 V 3.5074 7.8967 118.2681 65.7871 31.2126 178.1740 10 F 3.8670 7.9254 117.0408 60.4999 38.9308 176.8352 11 D 4.4998 8.1608 117.2543 56.8791 40.8827 177.5722 12 L 3.9885 7.5600 119.9447 58.2984 42.3420 178.8959 13 V 4.1745 7.6838 109.6598 61.9613 31.7806 177.9387 14 A 4.0463 7.7625 122.0677 55.1676 18.2754 179.3406 15 E 3.8915 8.1395 117.1032 59.7270 29.8351 178.6558 16 D 4.3907 8.1324 118.4421 56.9877 40.8679 178.5447 17 K 4.0606 8.5958 120.4967 59.4491 32.2866 178.5481 18 A 4.0312 8.0944 121.0119 55.2660 18.3089 179.5893 19 R 3.8408 7.9460 116.8657 59.8730 30.0930 178.0038 20 C 4.4279 8.5657 116.6300 60.4435 37.9007 176.1426 21 M 4.1995 8.4232 121.5916 57.9007 31.0552 178.8214 22 S 4.0915 8.2277 113.2940 61.4578 62.3844 175.9524 23 E 3.7472 8.5097 120.5653 58.9979 29.3941 178.1075 24 H 4.9079 8.1397 113.8354 54.7018 29.5007 175.8386 25 G 3.9256 7.5747 108.5290 46.2567 0.0000 173.9097 26 T 4.2589 7.9237 116.9850 63.1723 69.1201 174.2442 27 T 4.5567 8.5157 115.5833 59.8589 71.2096 175.5633 28 Q 3.8327 8.5257 123.0599 59.3402 29.0024 178.4294 29 A 4.1354 7.9762 121.3350 55.2764 18.3867 179.4938 30 Q 3.9767 7.9956 116.6593 59.0000 28.7372 179.0084 31 I 3.6823 7.3686 120.9086 64.5481 37.2414 178.0489 32 D 4.4778 8.5678 120.0637 57.4843 40.5548 178.6886 33 D 4.3148 8.0926 118.4560 57.3181 41.2360 178.3678 34 V 4.1187 7.8464 120.0988 65.7851 31.3278 177.5140 35 D 4.3963 8.4498 117.8579 57.1395 40.7018 178.1195 36 K 4.5562 7.8162 116.1875 56.1857 32.2890 177.5556 37 G 3.9562 8.6631 108.0297 45.2208 0.0000 173.3963 38 N 4.8152 8.5634 118.2462 51.5093 38.9608 173.7748 39 L 4.9822 8.4410 123.3013 52.8491 44.2358 176.6952 40 V 4.5979 8.2580 115.4356 59.6104 35.6907 175.4273 41 N 3.6790 8.0981 121.0770 52.4688 37.7547 175.6091 42 E 4.5177 7.4099 119.5310 54.2608 32.1523 174.8262 43 P 4.5836 0.0000 0.0000 65.1083 31.2256 178.7332 44 S 4.5263 8.0648 112.8416 60.3295 63.1089 175.4285 45 I 4.2303 7.6469 121.4167 63.0919 38.6261 177.4539 46 T 4.0639 8.1998 110.9851 65.1437 68.5429 175.9852 47 C 4.4183 8.6587 119.6956 59.3549 41.3598 175.3585 48 Y 4.0495 8.0547 121.0422 61.0446 38.4555 177.9238 49 M 3.9066 8.2743 119.5443 58.4107 32.0117 178.1105 50 Y 3.9915 8.0493 119.6595 60.7635 38.9860 177.1234 51 C 4.0109 8.3525 119.6406 59.7626 43.0394 175.4709 52 L 3.7731 7.6140 121.6634 57.8983 41.5495 178.6314 53 L 4.0132 7.6268 119.0195 57.9150 41.5220 179.2198 54 E 3.6671 7.9679 118.9155 59.0842 29.2818 178.6614 55 A 3.7932 7.6597 119.8058 54.0577 18.3109 178.4860 56 F 4.5851 7.4465 113.5426 56.9010 40.2509 175.7325 57 S 3.7717 7.7962 111.8375 59.6042 61.0144 173.8273 58 L 4.3138 8.0775 121.5314 56.2980 41.9115 177.2843 59 V 4.9804 7.3037 110.0011 59.5607 35.9441 174.7926 60 D 4.9893 8.2997 121.8721 52.0462 41.6237 176.5184 61 D 4.6991 8.7357 117.2282 55.7730 39.5590 176.3814 62 E 4.8464 8.5189 117.7298 54.8534 30.1646 175.2408 63 A 4.0115 8.1174 119.4163 53.3273 16.8427 178.1921 64 N 4.6602 8.5179 117.3636 54.0606 39.5505 175.1946 65 V 4.2411 8.2085 122.8384 62.2827 32.6289 175.7479 66 D 4.6109 8.9036 127.1596 53.4549 41.1047 176.7507 67 E 4.0287 8.5860 128.1288 59.1688 29.6182 179.0325 68 D 4.3072 8.0876 118.6236 57.4446 41.0510 178.4961 69 I 3.7170 7.9132 120.2442 64.5550 36.8723 178.0902 70 M 4.0195 7.9364 117.7511 58.7989 32.2818 177.9645 71 L 4.1983 8.4626 119.6280 57.6954 41.5368 179.4641 72 G 3.7879 8.3603 105.2078 48.0553 0.0000 175.1342 73 L 4.2682 7.5186 119.2876 55.7650 42.0953 177.6018 74 L 4.2645 6.8574 118.2597 53.2331 42.6503 174.7083 75 P 4.6389 0.0000 0.0000 61.6278 32.8861 176.9752 76 D 4.3455 8.5227 118.3356 56.2638 39.5355 178.6287 77 Q 3.9402 8.0498 116.9268 58.6076 28.6436 177.6434 78 L 4.2085 7.5239 116.4073 55.2501 42.0146 178.5771 79 Q 3.9296 7.9776 119.4324 57.9700 28.6379 177.3939 80 E 4.5754 7.8822 116.0037 56.2720 30.6362 177.6569 81 R 3.8138 7.9117 120.1116 59.6597 30.0937 177.8488 82 A 3.9709 8.2124 120.6497 55.3558 18.3794 179.6217 83 Q 4.0040 7.6956 115.2020 59.0767 28.4810 179.1188 84 S 4.0759 8.1667 114.3666 61.3133 62.4351 176.4146 85 V 3.6142 8.1032 121.4460 66.2412 31.2992 177.9958 86 M 4.2085 8.8550 119.0122 58.0035 31.4866 178.9344 87 G 3.6236 7.8444 105.4474 47.5885 0.0000 175.3918 88 K 4.0690 7.5221 120.8508 59.3112 32.4661 177.7299 89 C 4.5321 8.1681 113.7383 56.5761 40.9888 173.6604 90 L 4.8441 7.1937 120.4904 51.9200 43.3565 174.6637 91 P 4.5302 0.0000 0.0000 62.3507 32.1837 176.3881 92 T 4.1812 8.1710 109.9965 61.8654 69.5548 173.8911 93 S 4.6083 8.2739 116.2718 56.2125 65.9738 173.6383 94 G 3.9851 7.9083 110.9933 45.9005 0.0000 172.3672 95 S 4.3319 8.3101 112.8783 59.4213 63.7187 173.6407 96 D 4.3543 7.2847 119.9295 51.8574 42.2904 176.1287 97 N 4.0812 8.0754 116.3641 56.5948 38.1806 178.3471 98 C 4.3225 7.9252 117.3891 60.0541 41.6159 175.5264 99 N 4.2667 9.2157 118.9782 56.3675 38.5204 177.1064 100 K 4.3420 8.2050 121.6456 59.0742 32.1480 179.3610 101 I 3.8826 7.7960 119.5983 64.1903 36.9841 177.4695 102 Y 4.2804 8.4084 120.9280 61.2967 38.5950 178.3854 103 N 4.1107 8.4497 116.9906 55.9051 38.5906 177.3170 104 L 3.8745 8.0791 121.5605 58.0364 42.2545 178.5519 105 A 3.9213 8.5097 121.0533 55.3073 18.4122 179.5837 106 K 3.4749 7.8863 117.0071 59.6197 31.9878 178.7166 107 C 4.1155 7.9501 118.3713 59.6484 42.8465 175.7839 108 V 3.5116 8.0474 120.4071 66.0116 30.9445 178.0007 109 Q 3.5777 7.1578 116.2157 58.9016 28.2527 177.7917 110 E 3.9499 7.5088 120.0587 59.2327 29.7982 178.7924 111 S 4.3678 8.1394 113.9463 60.4112 64.0158 175.0657 112 A 4.7855 8.1314 124.4967 50.5742 19.1777 174.6518 113 P 4.4560 0.0000 0.0000 64.9350 32.1697 179.1966 114 D 4.4339 8.2120 116.5775 54.3782 39.8356 176.8481 115 V 4.4334 7.1789 118.6000 61.7443 32.9554 176.3225 116 W 4.5965 7.7480 130.8277 57.8929 30.8732 174.6713 117 F 4.3332 7.6279 118.1832 56.0307 39.7132 173.3030 118 V 3.5390 8.8846 121.5165 60.9473 34.2585 175.2285 119 I 3.8279 7.5641 126.1239 61.4692 37.0596 175.5712 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 W 8.26 4.82 0.00 3.49 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 5 V 6.46 3.21 0.67 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 0.26 0.00 0.00 0.61 0.00 0.00 6 P 0.00 4.49 0.00 2.29 2.02 0.00 3.55 0.00 0.00 3.94 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 7 P 0.00 4.58 0.00 2.19 2.11 0.00 3.63 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 8 E 8.31 4.04 0.00 2.06 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 2.46 0.00 9 V 7.90 3.51 1.84 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 0.69 0.00 0.00 0.83 0.00 0.00 10 F 7.93 3.87 0.00 3.23 3.13 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 11 D 8.16 4.50 0.00 2.84 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 12 L 7.56 3.99 0.00 1.87 1.59 0.94 0.76 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 13 V 7.68 4.17 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 0.32 0.00 0.00 0.88 0.00 0.00 14 A 7.76 4.05 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 15 E 8.14 3.89 0.00 2.08 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 16 D 8.13 4.39 0.00 2.85 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 17 K 8.60 4.06 0.00 1.97 2.11 0.00 1.76 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.73 7.81 18 A 8.09 4.03 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 19 R 7.95 3.84 0.00 1.93 1.95 0.00 3.19 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 20 C 8.57 4.43 0.00 3.18 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 21 M 8.42 4.20 0.00 2.05 2.27 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 2.07 0.00 22 S 8.23 4.09 0.00 3.92 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 23 E 8.51 3.75 0.00 1.90 1.70 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 2.31 2.51 0.00 24 H 8.14 4.91 0.00 3.32 3.39 0.00 5.67 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 7.57 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 T 7.92 4.26 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 27 T 8.52 4.56 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 1.19 0.00 0.00 28 Q 8.53 3.83 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.92 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 29 A 7.98 4.14 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 30 Q 8.00 3.98 0.00 2.27 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.77 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 31 I 7.37 3.68 1.89 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.35 0.86 0.00 0.00 32 D 8.57 4.48 0.00 2.78 2.74 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 33 D 8.09 4.31 0.00 3.06 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 V 7.85 4.12 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 1.15 0.00 0.00 35 D 8.45 4.40 0.00 2.84 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 36 K 7.82 4.56 0.00 1.94 1.90 0.00 1.70 0.00 0.00 1.91 0.00 0.00 3.08 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.51 7.81 37 G 8.66 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 N 8.56 4.82 0.00 3.06 2.82 0.00 0.00 6.79 6.26 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 39 L 8.44 4.98 0.00 1.64 1.77 1.15 0.89 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 40 V 8.26 4.60 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 0.75 0.00 0.00 0.96 0.00 0.00 41 N 8.10 3.68 0.00 1.44 2.35 0.00 0.00 6.94 7.65 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 42 E 7.41 4.52 0.00 1.99 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 2.28 2.30 0.00 43 P 0.00 4.58 0.00 2.16 2.12 0.00 3.85 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 2.10 1.99 0.00 44 S 8.06 4.53 0.00 4.05 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 I 7.65 4.23 1.91 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 1.78 1.40 1.04 0.00 0.00 46 T 8.20 4.06 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 47 C 8.66 4.42 0.00 2.99 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 48 Y 8.05 4.05 0.00 3.22 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 49 M 8.27 3.91 0.00 2.21 2.36 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.02 2.69 0.00 50 Y 8.05 3.99 0.00 3.11 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 C 8.35 4.01 0.00 3.19 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 52 L 7.61 3.77 0.00 1.31 1.32 0.95 0.34 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 53 L 7.63 4.01 0.00 1.73 1.63 0.96 0.82 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 54 E 7.97 3.67 0.00 1.29 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 2.13 2.27 0.00 55 A 7.66 3.79 1.13 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 0.00 0.00 56 F 7.45 4.59 0.00 3.05 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 57 S 7.80 3.77 0.00 4.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 L 8.08 4.31 0.00 1.86 1.72 0.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 59 V 7.30 4.98 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.70 0.00 0.00 60 D 8.30 4.99 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 61 D 8.74 4.70 0.00 2.86 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 62 E 8.52 4.85 0.00 2.16 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 2.21 2.17 0.00 63 A 8.12 4.01 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 64 N 8.52 4.66 0.00 3.13 2.77 0.00 0.00 6.70 7.19 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 65 V 8.21 4.24 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 0.79 0.00 0.00 0.98 0.00 0.00 66 D 8.90 4.61 0.00 2.75 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 67 E 8.59 4.03 0.00 2.06 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 2.41 2.41 0.00 68 D 8.09 4.31 0.00 2.83 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 69 I 7.91 3.72 1.89 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 1.42 1.25 0.94 0.00 0.00 70 M 7.94 4.02 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.61 0.00 71 L 8.46 4.20 0.00 1.80 1.68 0.91 0.90 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 72 G 8.36 3.79 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 0.00 0.00 0.00 73 L 7.52 4.27 0.00 1.77 1.76 0.92 1.38 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 74 L 6.86 4.26 0.00 1.48 1.34 0.81 0.80 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 75 P 0.00 4.64 0.00 2.17 2.20 0.00 3.23 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.95 0.00 76 D 8.52 4.35 0.00 2.82 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 77 Q 8.05 3.94 0.00 2.12 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.97 0.00 0.00 0.00 0.00 0.00 2.23 2.25 0.00 78 L 7.52 4.21 0.00 1.47 1.43 -0.36 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 79 Q 7.98 3.93 0.00 2.23 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.63 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 80 E 7.88 4.58 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 81 R 7.91 3.81 0.00 1.85 2.04 0.00 3.15 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 82 A 8.21 3.97 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 83 Q 7.70 4.00 0.00 2.30 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.50 0.00 84 S 8.17 4.08 0.00 3.95 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 85 V 8.10 3.61 2.21 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 1.00 0.00 0.00 1.03 0.00 0.00 86 M 8.85 4.21 0.00 2.06 2.17 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 2.74 2.58 0.00 87 G 7.84 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.52 4.07 0.00 1.74 1.98 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.47 7.81 89 C 8.17 4.53 0.00 3.07 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 90 L 7.19 4.84 0.00 1.76 1.58 0.94 0.86 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 91 P 0.00 4.53 0.00 2.19 2.06 0.00 3.77 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 1.99 1.95 0.00 92 T 8.17 4.18 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 93 S 8.27 4.61 0.00 3.97 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 94 G 7.91 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 S 8.31 4.33 0.00 3.98 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 96 D 7.28 4.35 0.00 2.83 2.74 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 97 N 8.08 4.08 0.00 2.13 1.53 0.00 0.00 6.83 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 98 C 7.93 4.32 0.00 3.05 3.13 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 99 N 9.22 4.27 0.00 2.82 2.86 0.00 0.00 7.25 6.87 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 0.00 100 K 8.20 4.34 0.00 2.03 1.88 0.00 1.71 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.56 1.54 7.81 101 I 7.80 3.88 2.14 0.00 0.00 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.24 1.05 0.00 0.00 102 Y 8.41 4.28 0.00 3.03 3.26 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 0.00 103 N 8.45 4.11 0.00 2.95 2.81 0.00 0.00 6.76 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 0.00 104 L 8.08 3.87 0.00 1.87 1.94 0.96 0.91 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 0.00 105 A 8.51 3.92 1.51 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 0.00 0.00 0.00 106 K 7.89 3.47 0.00 1.55 1.59 0.00 1.48 0.00 0.00 1.33 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.70 0.70 7.81 107 C 7.95 4.12 0.00 3.02 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 0.00 108 V 8.05 3.51 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 1.36 0.00 0.00 1.03 0.00 0.00 109 Q 7.16 3.58 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.74 0.00 0.00 0.00 0.00 0.00 1.72 2.05 0.00 110 E 7.51 3.95 0.00 1.91 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.42 0.00 111 S 8.14 4.37 0.00 3.98 3.89 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 0.00 112 A 8.13 4.79 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 0.00 113 P 0.00 4.46 0.00 2.29 2.42 0.00 3.72 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.96 0.00 114 D 8.21 4.43 0.00 2.88 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 0.00 115 V 7.18 4.43 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 0.87 0.00 0.00 0.93 0.00 0.00 116 W 7.75 4.60 0.00 3.58 3.35 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 0.00 117 F 7.63 4.33 0.00 2.99 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 0.00 118 V 8.88 3.54 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 0.78 0.00 0.00 0.42 0.00 0.00 119 I 7.56 3.83 1.59 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.07 0.78 0.00 0.00