NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.3675 8.0333 117.3306 63.0787 70.3542 172.8285 2 E 4.0670 8.8684 127.4545 56.2791 29.7283 175.5403 3 L 4.6790 8.3796 126.8822 53.8087 44.6383 175.7475 4 T 4.6012 7.8820 107.7867 59.5289 72.3113 174.8736 5 K 3.3968 8.8061 123.2126 60.2427 32.0370 179.3744 6 C 4.2406 8.0304 115.7986 59.7201 40.2204 176.0783 7 K 3.8778 7.6132 119.7721 59.4398 31.6718 179.3800 8 V 3.4437 8.0624 118.6287 66.2910 31.1775 178.2135 9 S 4.1217 8.0961 113.6201 61.8420 63.0105 176.0337 10 H 4.5202 8.3033 118.7234 58.2764 28.4596 177.3947 11 A 4.1942 8.2330 121.5980 53.9271 18.6018 178.5520 12 I 4.1596 7.5484 117.0769 60.8616 37.6030 177.4793 13 K 3.9345 7.5252 120.6356 59.8277 31.7988 178.2911 14 D 4.4379 8.0847 116.1647 56.3868 41.1688 176.8378 15 I 3.9945 7.6805 118.4296 60.7594 38.2855 174.6147 16 D 4.6478 7.8943 120.9505 56.6691 41.4209 175.7109 17 G 4.1563 9.8062 115.5839 45.6089 0.0000 172.9176 18 Y 4.2396 7.7954 119.4325 59.5939 38.9892 175.9232 19 Q 2.8659 9.1238 125.6543 56.8500 27.6328 174.2276 20 G 3.8977 8.8479 102.3472 45.1610 0.0000 174.0255 21 I 4.2599 7.6333 122.0038 59.9801 38.2058 176.2917 22 S 5.1076 9.2649 122.7826 56.7699 65.7424 175.2046 23 L 4.2999 8.4916 120.6038 57.3776 41.2447 179.7951 24 L 4.1253 7.8640 119.0937 57.8976 41.6266 179.2043 25 E 3.8728 8.1365 118.0083 59.2243 29.3941 179.3209 26 W 4.0739 8.1807 118.7825 59.5199 29.0572 178.3996 27 A 4.1467 8.1673 120.8461 55.2996 17.7935 178.8665 28 C 2.0000 7.5756 116.7887 58.8636 44.6951 175.9112 29 V 3.4666 7.9453 120.0214 66.0928 31.0512 178.0157 30 L 3.9983 8.6262 119.2467 57.4902 41.3702 179.3137 31 F 2.9876 7.9172 120.7316 61.3436 39.1155 176.9403 32 H 4.2427 7.6746 113.6249 58.3084 28.5539 177.7011 33 T 4.2795 7.6857 117.6687 65.6956 68.6707 175.8748 34 S 4.4920 7.7918 112.0064 56.9339 64.2384 174.1520 35 G 3.3171 8.3637 107.2765 46.8949 0.0000 174.0284 36 Y 3.7329 7.6263 112.8284 58.3166 35.7135 168.5315 37 D 5.1642 8.3342 121.6243 52.9594 41.7601 177.1817 38 T 4.1469 8.4449 117.9554 63.8355 69.5113 175.4227 39 Q 4.7381 8.2838 119.5328 55.3627 30.0206 175.6993 40 A 4.1073 8.0055 123.0262 52.5580 19.4445 177.3911 41 V 4.7277 8.1854 121.1404 61.1305 34.7236 174.7305 42 V 4.4606 8.1757 125.8739 61.4327 35.1890 174.0047 43 N 4.7378 8.6429 123.8987 53.6954 39.7923 173.2748 44 D 4.5970 8.7789 116.6029 54.5320 43.2365 176.1141 45 N 4.8427 7.9600 114.5866 51.5276 39.6870 174.4222 46 G 3.8366 8.7300 104.2518 45.6893 0.0000 170.9347 47 S 4.4449 7.4136 112.4842 56.6596 66.4272 172.3555 48 T 4.9038 8.9567 116.4285 61.7399 72.4373 172.9512 49 E 5.3402 8.8069 124.0686 54.8710 32.5596 174.5277 50 Y 4.9141 9.5448 122.1369 57.3293 41.2290 177.6360 51 G 4.5503 8.7508 112.3599 44.0507 0.0000 173.2901 52 L 3.9868 8.6999 118.8463 57.4338 41.6902 178.6286 53 F 4.7275 8.4334 113.2332 57.2007 39.7581 175.1780 54 Q 3.6572 8.2994 119.1874 56.8933 26.7757 174.3311 55 I 4.0103 7.8245 118.0110 61.6321 38.5174 176.9091 56 S 5.2657 9.2513 122.1453 57.9684 63.6094 174.0784 57 D 4.8658 8.9655 124.6309 54.3542 39.4131 177.4931 58 R 3.7510 8.3809 120.8962 58.9406 30.2868 177.1573 59 F 4.8331 7.7097 112.8515 56.7621 41.6154 176.5630 60 W 4.5569 8.0097 120.5582 58.0556 29.5982 173.4301 61 C 5.4789 7.8989 110.0245 53.3897 40.5091 173.3606 62 K 4.6470 9.2540 121.7739 55.2882 33.2744 175.3345 63 S 5.0247 8.5494 121.5723 56.3512 65.5001 175.3346 64 S 4.2949 9.0362 118.2474 61.4380 62.7253 175.1143 65 E 4.5334 8.1651 115.5927 56.1125 30.3972 176.4796 66 F 5.3948 8.3901 121.0225 56.7512 39.5571 173.4509 67 P 4.4662 0.0000 0.0000 64.3479 32.0762 178.1553 68 E 3.9135 7.7710 116.9259 58.4593 30.1255 176.6959 69 S 4.0341 6.8741 112.0431 57.6656 63.0388 174.3570 70 E 3.9075 8.8944 125.5521 57.6758 29.8678 176.4406 71 N 4.1584 8.2867 117.3465 53.8422 37.9237 175.2791 72 I 3.6546 7.9459 119.7937 64.8948 37.6498 177.3204 73 C 4.4908 8.6918 115.4381 56.8991 40.5773 173.4103 74 G 4.1052 8.4541 108.6169 46.7345 0.0000 173.4416 75 I 4.6225 7.0887 109.5234 58.6743 41.1856 174.1879 76 S 4.5806 8.4210 116.6914 58.0635 63.1126 175.7441 77 C 3.9289 9.0802 125.4627 60.2616 35.1237 176.2675 78 D 4.1904 7.8660 119.5224 56.7393 40.2070 178.0100 79 K 4.2868 7.8735 117.4259 57.6101 31.9212 177.3165 80 L 4.7421 7.9531 118.9820 53.8860 41.9015 177.2973 81 L 4.9729 7.7632 117.6604 54.4749 42.4718 176.3076 82 D 4.9307 7.7686 119.3904 52.5355 41.7227 176.5583 83 D 4.7876 8.6504 122.1881 54.5826 41.2055 175.6769 84 E 4.4733 9.0919 120.7181 55.1174 29.7381 176.7132 85 L 4.4782 8.3311 123.9795 55.5545 42.0194 178.4702 86 D 4.3244 8.0385 120.1739 57.6268 40.8335 178.3462 87 D 4.3448 8.0011 118.7996 56.2802 39.5863 178.0855 88 D 4.2695 8.0025 119.9101 57.2217 40.9000 178.5664 89 I 3.1640 8.0372 120.3348 64.1917 37.2033 178.3453 90 A 3.8426 7.8463 121.5204 55.1921 18.0988 178.9386 91 C 4.1428 8.2321 116.8327 59.6516 44.5676 175.5024 92 A 3.7854 7.9102 122.7813 55.0650 17.7736 179.6632 93 K 3.8177 8.1002 117.2576 59.5479 32.0726 179.7053 94 K 4.0756 7.8106 118.4024 59.5457 31.9234 179.3799 95 I 3.0067 7.6130 120.0542 64.0600 36.7581 178.3983 96 L 4.1620 8.3308 119.6139 58.0289 41.3523 179.5544 97 A 4.0694 8.1532 119.1516 54.6309 18.3149 179.1416 98 I 4.1182 7.7810 117.1944 63.5809 38.0132 177.5266 99 K 4.3826 8.4622 118.6244 55.5039 33.1292 176.8888 100 G 4.2197 7.9325 103.9378 45.2454 0.0000 173.6723 101 I 3.9698 8.2159 117.6188 63.7196 37.8186 176.7534 102 D 4.7569 8.0590 117.6154 55.5905 40.8793 176.4292 103 Y 3.9237 8.0531 121.4219 60.0084 38.9407 176.0021 104 W 4.2249 8.1946 121.0775 55.2699 27.8723 177.0388 105 K 4.0920 8.3160 123.2417 58.4374 31.8627 178.4509 106 A 4.1853 8.0197 121.1883 53.9044 19.0621 178.4749 107 Y 4.0465 8.0965 117.8537 60.8700 38.9652 178.3940 108 K 3.7422 8.1088 118.0409 58.9884 32.4143 176.9277 109 P 4.3459 0.0000 0.0000 65.0508 31.5127 176.8162 110 M 4.5344 8.1396 116.5249 55.2908 33.4939 175.5152 111 C 4.9588 7.9967 115.8605 56.7544 41.2778 175.0085 112 S 3.9636 8.0031 115.7948 59.2624 63.0233 173.4986 113 E 4.5302 7.8037 116.3742 55.4797 32.3980 174.6866 114 K 3.8244 8.3902 116.5229 57.6430 29.2439 175.3037 115 L 4.6614 7.4894 119.4660 56.6545 43.3788 179.2601 116 E 4.1413 8.3862 119.5187 59.1227 29.5524 178.6332 117 Q 3.9248 7.9137 115.2564 58.1449 28.6664 176.8209 118 W 4.4937 8.2309 117.3496 56.9754 29.5383 176.6154 119 R 4.1355 7.6095 119.2522 55.9627 30.1180 174.8631 120 C 4.4946 8.6419 124.1308 56.4834 44.0948 172.8453 121 E 4.5918 8.7596 125.7937 55.9470 29.3829 175.5374 122 K 4.6641 7.6142 117.7126 53.7171 34.9000 174.4836 123 P 4.4492 0.0000 0.0000 62.9499 31.2060 176.3468 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 T 8.03 4.37 4.29 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 1.26 0.00 0.00 2 E 8.87 4.07 0.00 1.97 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 2.36 2.43 0.00 3 L 8.38 4.68 0.00 1.62 1.55 0.89 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 4 T 7.88 4.60 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 1.24 0.00 0.00 5 K 8.81 3.40 0.00 1.98 1.90 0.00 2.10 0.00 0.00 2.06 0.00 0.00 2.99 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.58 1.77 7.81 6 C 8.03 4.24 0.00 2.97 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 7 K 7.61 3.88 0.00 1.93 1.79 0.00 1.66 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.44 7.81 8 V 8.06 3.44 1.87 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 0.93 0.00 0.00 0.63 0.00 0.00 9 S 8.10 4.12 0.00 3.90 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 10 H 8.30 4.52 0.00 3.17 3.31 0.00 5.63 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 11 A 8.23 4.19 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 12 I 7.55 4.16 2.09 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.99 0.81 0.00 0.00 13 K 7.53 3.93 0.00 1.87 1.91 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.65 1.70 7.81 14 D 8.08 4.44 0.00 2.58 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 15 I 7.68 3.99 1.63 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.13 0.58 0.00 0.00 16 D 7.89 4.65 0.00 2.90 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 17 G 9.81 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 Y 7.80 4.24 0.00 3.14 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 19 Q 9.12 2.87 0.00 1.84 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.80 0.00 0.00 0.00 0.00 0.00 2.19 2.29 0.00 20 G 8.85 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 21 I 7.63 4.26 1.84 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.45 0.13 0.00 0.00 22 S 9.26 5.11 0.00 4.05 4.06 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 23 L 8.49 4.30 0.00 1.79 1.84 1.01 0.63 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 24 L 7.86 4.13 0.00 1.78 2.00 0.99 1.16 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 E 8.14 3.87 0.00 2.04 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 2.44 2.43 0.00 26 W 8.18 4.07 0.00 3.38 3.10 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 27 A 8.17 4.15 1.64 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 28 C 7.58 2.00 0.00 1.23 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 29 V 7.95 3.47 1.87 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 0.91 0.00 0.00 0.83 0.00 0.00 30 L 8.63 4.00 0.00 1.93 1.76 0.46 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 31 F 7.92 2.99 0.00 2.79 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 32 H 7.67 4.24 0.00 3.11 3.37 0.00 5.90 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 T 7.69 4.28 4.35 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 1.43 0.00 0.00 34 S 7.79 4.49 0.00 4.04 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 35 G 8.36 3.32 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 Y 7.63 3.73 0.00 3.24 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 37 D 8.33 5.16 0.00 2.70 2.64 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 38 T 8.44 4.15 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 1.24 0.00 0.00 39 Q 8.28 4.74 0.00 1.98 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.82 0.00 0.00 0.00 0.00 0.00 2.53 2.35 0.00 40 A 8.01 4.11 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 41 V 8.19 4.73 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 0.52 0.00 0.00 0.95 0.00 0.00 42 V 8.18 4.46 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 0.92 0.00 0.00 0.94 0.00 0.00 43 N 8.64 4.74 0.00 2.59 2.66 0.00 0.00 6.67 8.06 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 44 D 8.78 4.60 0.00 2.48 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 0.00 0.00 0.00 0.00 45 N 7.96 4.84 0.00 2.65 2.66 0.00 0.00 6.89 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 46 G 8.73 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 0.00 0.00 0.00 47 S 7.41 4.44 0.00 3.93 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 48 T 8.96 4.90 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 0.66 0.00 0.00 49 E 8.81 5.34 0.00 2.09 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 2.23 2.34 0.00 50 Y 9.54 4.91 0.00 2.94 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 G 8.75 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.70 3.99 0.00 1.59 1.73 0.93 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 53 F 8.43 4.73 0.00 3.24 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 Q 8.30 3.66 0.00 2.39 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.82 0.00 0.00 0.00 0.00 0.00 2.53 2.67 0.00 55 I 7.82 4.01 2.04 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 1.00 0.98 1.03 0.00 0.00 56 S 9.25 5.27 0.00 4.16 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 0.00 57 D 8.97 4.87 0.00 2.84 3.02 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 58 R 8.38 3.75 0.00 1.45 1.47 0.00 2.92 0.00 0.00 2.85 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.15 0.00 59 F 7.71 4.83 0.00 1.95 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 W 8.01 4.56 0.00 3.57 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 61 C 7.90 5.48 0.00 3.10 3.04 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 0.00 0.00 0.00 62 K 9.25 4.65 0.00 1.95 1.70 0.00 1.57 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.38 7.81 63 S 8.55 5.02 0.00 4.00 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 64 S 9.04 4.29 0.00 3.92 4.02 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 65 E 8.17 4.53 0.00 2.14 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 2.31 2.37 0.00 66 F 8.39 5.39 0.00 2.94 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 67 P 0.00 4.47 0.00 2.02 2.06 0.00 3.68 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 2.02 2.17 0.00 68 E 7.77 3.91 0.00 1.82 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 1.47 1.47 0.00 69 S 6.87 4.03 0.00 4.35 4.02 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 70 E 8.89 3.91 0.00 2.06 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 2.22 2.31 0.00 71 N 8.29 4.16 0.00 2.86 2.74 0.00 0.00 7.01 7.11 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 72 I 7.95 3.65 1.74 0.00 0.00 -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 1.06 0.47 0.98 0.00 0.00 73 C 8.69 4.49 0.00 3.30 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 74 G 8.45 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 0.00 0.00 0.00 75 I 7.09 4.62 1.85 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 1.32 0.79 0.93 0.00 0.00 76 S 8.42 4.58 0.00 3.85 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 77 C 9.08 3.93 0.00 2.20 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 78 D 7.87 4.19 0.00 2.66 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 79 K 7.87 4.29 0.00 1.93 2.04 0.00 1.56 0.00 0.00 1.68 0.00 0.00 3.10 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.51 7.81 80 L 7.95 4.74 0.00 1.89 1.80 0.95 0.64 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 81 L 7.76 4.97 0.00 1.84 1.74 1.11 1.20 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 82 D 7.77 4.93 0.00 2.77 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 83 D 8.65 4.79 0.00 2.66 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 84 E 9.09 4.47 0.00 2.05 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 2.26 2.26 0.00 85 L 8.33 4.48 0.00 1.74 1.73 0.96 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 86 D 8.04 4.32 0.00 2.73 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 87 D 8.00 4.34 0.00 2.92 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 88 D 8.00 4.27 0.00 2.97 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 89 I 8.04 3.16 1.86 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 1.37 0.77 0.66 0.00 0.00 90 A 7.85 3.84 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 91 C 8.23 4.14 0.00 3.03 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 92 A 7.91 3.79 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 K 8.10 3.82 0.00 1.73 1.49 0.00 1.28 0.00 0.00 0.89 0.00 0.00 2.13 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.56 1.18 7.81 94 K 7.81 4.08 0.00 2.05 2.03 0.00 1.77 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.50 7.81 95 I 7.61 3.01 1.65 0.00 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.26 -0.17 0.00 0.00 96 L 8.33 4.16 0.00 2.21 1.92 1.37 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 97 A 8.15 4.07 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 98 I 7.78 4.12 2.24 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.82 1.09 0.00 0.00 99 K 8.46 4.38 0.00 1.94 1.99 0.00 2.09 0.00 0.00 1.96 0.00 0.00 3.33 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.49 1.56 7.81 100 G 7.93 4.22 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 0.00 0.00 0.00 101 I 8.22 3.97 1.56 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.28 0.43 0.60 0.00 0.00 102 D 8.06 4.76 0.00 2.77 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 Y 8.05 3.92 0.00 2.57 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 0.00 0.00 0.00 104 W 8.19 4.22 0.00 3.74 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 0.00 105 K 8.32 4.09 0.00 1.69 1.85 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.44 7.81 106 A 8.02 4.19 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 0.00 107 Y 8.10 4.05 0.00 3.04 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 0.00 108 K 8.11 3.74 0.00 1.81 1.83 0.00 1.83 0.00 0.00 1.77 0.00 0.00 3.10 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.55 7.81 109 P 0.00 4.35 0.00 2.14 2.16 0.00 3.77 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.01 0.00 110 M 8.14 4.53 0.00 1.71 2.05 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.58 0.00 111 C 8.00 4.96 0.00 2.72 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 S 8.00 3.96 0.00 3.73 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 0.00 113 E 7.80 4.53 0.00 2.02 1.87 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 2.15 2.31 0.00 114 K 8.39 3.82 0.00 1.95 1.87 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.77 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.35 1.45 7.81 115 L 7.49 4.66 0.00 1.79 1.83 0.95 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 116 E 8.39 4.14 0.00 2.05 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 2.38 2.37 0.00 117 Q 7.91 3.92 0.00 1.81 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.77 0.00 0.00 0.00 0.00 0.00 2.08 1.16 0.00 118 W 8.23 4.49 0.00 3.47 3.40 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 0.00 119 R 7.61 4.14 0.00 1.86 2.01 0.00 3.40 0.00 0.00 3.17 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 120 C 8.64 4.49 0.00 2.93 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 0.00 121 E 8.76 4.59 0.00 1.98 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 0.00 2.36 2.23 0.00 122 K 7.61 4.66 0.00 1.72 1.71 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.36 7.81 123 P 0.00 4.45 0.00 2.04 1.97 0.00 3.71 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00