NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.4900 8.3144 120.0794 56.2581 34.0155 174.8467 3 L 4.3500 8.4998 125.5157 52.5364 44.5939 173.9848 4 Q 4.3754 8.7955 126.3948 56.0036 29.9582 175.7772 5 V 3.9406 8.1563 124.6106 61.6923 32.3090 175.2992 6 L 4.7108 8.0004 128.0823 52.4154 44.2382 174.5406 7 P 4.8792 0.0000 0.0000 62.6201 32.1432 175.9718 8 L 4.0929 8.1289 125.4667 54.7375 42.6364 176.2963 9 S 4.5935 7.9460 118.7093 55.6411 66.1855 174.6955 10 Q 3.9917 8.6896 122.2975 59.3031 28.5502 178.3822 11 E 3.9495 8.0982 117.9916 59.5859 29.7849 178.9750 12 A 4.2955 7.7814 118.4174 54.1099 18.8077 178.2821 13 F 4.7653 7.8884 117.8059 57.9487 39.5708 177.1555 14 S 4.0612 7.7497 112.5496 62.2931 62.5981 175.8295 15 A 3.9801 7.7473 121.4937 53.5495 18.6071 177.2361 16 Y 4.4436 7.7164 112.4580 57.0262 39.9357 175.8569 17 G 3.2849 5.9972 104.5220 45.8840 0.0000 170.9233 18 D 5.1262 7.8048 119.0554 52.6176 44.1383 175.6933 19 V 4.3023 8.3351 121.2885 61.4324 33.0695 175.4973 20 I 4.3347 8.1478 129.6668 60.6720 37.6304 174.6004 21 E 4.9184 8.3846 124.0433 55.9142 32.2279 174.7721 22 T 3.9061 8.1782 108.3203 62.1843 70.4161 174.4568 23 Q 3.9573 7.9815 121.8767 57.7231 28.9705 176.1687 24 Q 3.6511 8.8699 123.1357 57.0823 26.4521 173.3575 25 R 4.7939 8.0395 115.2753 54.2820 32.6843 176.0131 26 D 4.5094 8.4628 120.9112 54.2997 41.5944 175.6252 27 F 4.6054 7.3238 116.1705 55.3484 41.3938 173.2355 28 F 5.0394 8.6857 118.3027 56.1221 41.5462 174.8260 29 H 5.1346 8.9501 119.7124 55.5306 29.9053 174.7424 30 I 4.4983 8.7903 123.6082 60.7512 40.6806 177.0966 31 N 4.6009 8.6518 122.8818 52.4335 37.0814 173.8378 32 N 4.1540 8.9280 115.8794 56.7098 38.8181 174.7269 33 G 3.4488 7.4031 108.8249 45.0414 0.0000 174.3536 34 L 4.1204 7.8930 122.9602 56.7085 42.0280 177.5493 35 V 4.5625 7.8452 117.0434 60.8957 34.9576 174.3116 36 E 5.0435 8.8220 125.6836 54.5544 31.8487 175.1096 37 R 4.4934 9.2713 126.0467 55.1278 32.0739 174.6366 38 Y 4.8153 8.8893 125.8916 56.5708 37.2624 175.4256 39 H 4.2716 8.8734 119.3330 55.7907 29.5907 176.7728 40 D 4.1867 7.9891 112.3291 55.9688 38.1560 172.8655 41 L 4.4734 8.0217 125.9472 54.5636 43.3538 176.9819 42 A 4.7749 7.5579 119.9271 50.3437 21.8763 175.8808 43 L 4.2745 8.8443 123.6189 53.6432 40.6423 176.6858 44 V 3.8506 7.9952 123.5935 62.3479 32.5248 175.1773 45 E 4.6735 9.0839 127.3841 54.9724 33.0670 173.6587 46 I 4.9123 8.4408 126.9521 59.4953 40.4129 174.6903 47 L 4.6463 8.5027 126.4052 53.1311 44.1075 176.2039 48 E 3.6357 8.4266 119.3804 56.4959 26.8529 175.8138 49 Q 4.6289 7.1831 115.4107 55.6483 31.7734 173.2952 50 D 4.3693 9.0424 126.7121 56.1546 41.6841 176.1605 51 R 4.5658 7.0673 112.2782 54.6306 31.0711 176.1046 52 T 4.4173 8.2082 117.5943 63.0796 70.0557 173.8138 53 L 4.8399 8.4411 122.7821 53.0273 45.1952 175.6334 54 I 4.9524 8.3915 123.4087 59.6891 39.6802 174.8069 55 S 4.7704 8.8890 120.9483 56.9537 67.3889 172.4868 56 I 5.0121 8.2805 119.2913 59.8235 39.9880 175.1917 57 N 4.7850 9.4660 126.2179 51.8086 40.1260 174.7234 58 R 4.8084 8.7544 125.9090 55.2716 30.3960 174.7644 59 A 4.8056 8.7482 128.9921 50.3459 21.2241 176.4804 60 Q 4.6299 8.6656 120.8997 54.8637 30.4383 173.8940 61 P 5.0088 0.0000 0.0000 62.8674 32.3615 175.7773 62 A 4.5258 8.3160 123.4984 51.0376 20.1176 177.0806 63 N 4.4005 8.5362 117.3592 53.0388 39.2932 175.0960 64 L 4.5926 8.1242 123.2818 52.5336 43.2111 174.7688 65 P 4.5021 0.0000 0.0000 62.1846 32.4956 175.8550 66 L 4.1136 8.5438 123.2806 55.9184 43.4923 176.0510 67 T 5.1867 8.3927 120.2765 62.2164 68.6569 172.7814 68 I 4.2294 8.1079 122.6311 60.7325 39.7681 176.1946 69 H 5.1226 8.3950 114.1770 55.6044 31.7460 172.1352 70 E 5.2938 8.0392 116.1363 54.9265 33.1169 174.6007 71 L 4.9385 8.8566 121.3272 53.7440 46.1362 174.3222 72 E 5.9451 9.6729 123.4088 53.9179 33.4229 174.8171 73 R 4.4490 7.6357 115.4497 55.0659 32.9992 173.6910 74 H 4.7143 8.5613 120.0152 53.2407 28.8784 173.2444 75 P 4.5777 0.0000 0.0000 64.5977 31.6308 177.9382 76 L 4.2720 7.8085 117.3376 55.0827 42.1687 175.7910 77 G 4.3381 7.2299 103.7525 45.5782 0.0000 173.3952 78 T 4.5605 8.6224 112.1256 61.5445 70.4734 174.0685 79 Q 4.4386 8.7563 122.2523 55.0489 32.5068 173.0357 80 A 5.0732 8.3213 127.9717 50.2732 22.4422 175.2160 81 F 5.3085 9.2858 118.1233 55.9506 43.4262 174.0278 82 I 4.8058 8.7457 123.9421 58.9912 40.4222 174.4898 83 P 4.1308 0.0000 0.0000 62.3430 30.9097 177.2326 *85 K 4.0490 8.5182 121.6367 56.9570 33.2512 175.8267 86 G 3.8549 8.1754 105.0206 45.8946 0.0000 174.1863 87 E 4.4830 7.9000 116.3950 54.8886 31.2319 176.1244 88 V 4.1530 8.3532 121.2877 63.2644 32.6581 174.7859 89 F 5.1340 8.7900 120.0477 55.8542 41.7387 172.9040 90 V 4.5656 8.0679 118.6724 61.1681 33.9730 175.0292 91 V 4.6942 8.7621 118.5431 59.5909 36.3174 174.5984 92 V 4.9101 8.5804 122.7791 61.3537 34.5633 174.6492 93 V 5.2214 8.8119 119.9303 59.8895 36.2906 174.2013 94 A 5.0796 8.6887 119.8753 52.5961 23.0490 176.5241 95 L 5.0017 8.4222 122.1055 54.0183 45.1395 175.7876 96 G 4.5025 9.0294 109.2545 47.2648 0.0000 173.6273 97 D 4.5181 8.9288 124.6831 57.0242 41.0356 176.5574 98 D 4.7049 7.9414 116.1871 55.0786 42.0456 175.9311 99 K 4.2906 7.3238 116.1625 52.8512 35.7753 173.7060 100 P 4.1042 0.0000 0.0000 62.7492 31.1670 176.4000 101 D 4.4555 8.6934 124.0948 53.1814 39.8688 175.9918 102 L 4.0414 8.4753 127.3833 57.6612 41.8631 180.0135 103 S 4.2688 8.1449 111.9480 60.4080 62.8058 174.7266 104 T 4.6148 8.4625 111.3619 61.2792 69.8672 173.9171 105 L 4.6163 7.7210 125.3070 55.6606 42.7288 176.4293 106 R 4.6298 9.4264 123.9655 54.3473 35.1561 173.7405 107 A 5.0386 7.8608 122.3612 50.1684 22.3673 175.1288 108 F 5.8747 9.2660 119.6360 54.6549 44.0200 173.4930 109 I 4.6875 8.2656 122.3923 59.2663 40.4126 175.0760 110 T 4.5998 8.0836 120.0549 60.8514 69.9852 174.1135 111 N 4.5701 8.9187 118.5717 52.6810 37.5632 176.4765 112 G 4.0057 8.2578 107.1339 46.0948 0.0000 174.2597 113 E 4.9282 8.7821 117.9200 55.5520 31.1120 175.6079 114 Q 4.6683 8.1284 116.5681 54.7826 32.1804 174.7460 115 G 4.5159 9.4469 110.5767 45.0595 0.0000 172.2979 116 V 4.8690 8.8125 117.8993 60.1360 35.5283 174.2949 117 N 5.2037 9.1502 120.5443 52.0056 41.8088 172.8958 118 Y 4.9164 8.6278 125.4157 58.3856 39.4182 175.7907 119 H 5.0226 9.2849 121.2052 54.8253 30.6994 175.2512 120 R 4.0344 8.4926 119.1024 58.1501 30.4764 177.3168 121 N 4.1113 8.6150 117.6796 53.3387 37.3329 174.1923 122 V 4.1173 7.3443 118.7454 62.4746 32.5677 175.4604 123 W 4.7034 9.2185 128.3774 56.5028 30.3328 175.1406 124 H 5.9858 9.1028 119.4673 53.1774 31.8316 172.2869 125 H 4.8264 8.8940 119.5759 55.2566 30.5859 173.3787 126 P 4.3758 0.0000 0.0000 62.0891 31.8674 176.1411 127 L 3.7043 8.1727 122.9425 55.9563 42.3506 176.2634 128 F 4.9636 7.5488 116.2975 56.0040 40.3071 173.4970 129 A 4.7331 9.1093 123.8923 51.2961 20.6994 175.7133 130 W 4.8228 8.5596 128.3923 57.3286 32.5846 173.9067 131 Q 3.8264 9.0175 130.8264 55.7854 26.5514 173.3682 132 R 4.7750 7.3144 111.0650 53.8157 33.0703 174.0835 133 V 3.9368 8.4819 119.1695 64.4950 32.1399 175.3359 134 T 4.6447 8.7645 121.9312 62.1384 73.1918 172.3825 135 D 5.2596 8.4399 125.0041 53.1425 42.6394 175.8141 136 F 4.8681 8.9217 121.4260 55.4393 42.6456 173.9956 137 L 4.7071 9.0079 126.7263 55.0740 43.2388 175.5468 138 T 5.2387 9.0388 122.9551 61.2964 72.0387 173.9039 139 I 5.0510 8.0267 124.3006 59.0283 40.3601 173.5701 140 D 4.8845 7.8518 126.2545 52.8624 40.6296 175.7338 141 R 3.7960 8.8966 117.4222 58.6425 30.3066 178.2250 142 G 4.1738 7.1895 104.6272 46.3515 0.0000 174.1540 143 G 4.0729 7.1382 111.6124 45.0219 0.0000 175.2296 144 S 4.2729 8.3023 117.9779 58.0963 66.2912 173.5359 *147 C 4.2959 8.1821 124.4936 57.9063 30.1807 173.1870 148 D 4.8122 7.2828 125.9327 53.4257 42.4261 176.0784 149 V 5.0582 8.3779 117.1724 59.9711 33.8203 175.6450 150 E 4.7845 9.3364 123.0428 54.7780 33.9461 174.9329 151 S 5.0587 8.6797 118.1115 58.1560 63.5962 172.8687 152 I 4.7801 8.3153 117.2429 58.2298 40.9239 172.9866 153 P 4.1575 0.0000 0.0000 63.0658 31.2745 175.5046 154 E 3.8803 8.4591 122.5487 55.6908 30.2995 175.6041 155 Q 4.5884 8.9855 126.6639 54.1624 32.5746 173.4220 156 E 4.9948 8.5674 126.8894 54.2426 31.5514 174.7346 157 L 4.6365 8.3245 127.7538 55.0831 42.4245 176.6750 158 C 4.9749 8.7005 119.7423 57.9026 32.7489 172.8589 159 F 4.9722 8.4323 119.4597 55.8904 40.9365 175.5129 160 A 4.1424 8.4853 125.6786 53.0502 18.8628 175.6170 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 2 K 8.31 4.49 0.00 1.63 1.77 0.00 1.64 0.00 0.00 1.69 0.00 0.00 2.83 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.43 7.81 3 L 8.50 4.35 0.00 1.63 1.40 0.81 0.39 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 4 Q 8.80 4.38 0.00 1.86 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.60 0.00 0.00 0.00 0.00 0.00 2.29 2.25 0.00 5 V 8.16 3.94 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 0.60 0.00 0.00 0.31 0.00 0.00 6 L 8.00 4.71 0.00 1.70 1.57 0.57 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 4.88 0.00 1.97 2.00 0.00 3.72 0.00 0.00 3.61 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 8 L 8.13 4.09 0.00 1.38 1.52 -0.28 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 9 S 7.95 4.59 0.00 3.96 3.86 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 10 Q 8.69 3.99 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.94 0.00 0.00 0.00 0.00 0.00 2.44 2.53 0.00 11 E 8.10 3.95 0.00 2.01 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 2.33 2.40 0.00 12 A 7.78 4.30 1.48 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 13 F 7.89 4.77 0.00 2.74 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 14 S 7.75 4.06 0.00 3.96 4.25 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 15 A 7.75 3.98 0.80 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 16 Y 7.72 4.44 0.00 1.97 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 17 G 6.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 D 7.80 5.13 0.00 2.63 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 19 V 8.34 4.30 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 0.65 0.00 0.00 0.74 0.00 0.00 20 I 8.15 4.33 1.86 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 1.28 0.80 0.89 0.00 0.00 21 E 8.38 4.92 0.00 1.83 1.81 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 2.12 2.25 0.00 22 T 8.18 3.91 2.97 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 0.22 0.00 0.00 23 Q 7.98 3.96 0.00 1.98 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.95 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 24 Q 8.87 3.65 0.00 2.26 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.53 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 25 R 8.04 4.79 0.00 2.15 1.95 0.00 3.36 0.00 0.00 3.31 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.93 0.00 26 D 8.46 4.51 0.00 2.58 2.39 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 27 F 7.32 4.61 0.00 2.21 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 F 8.69 5.04 0.00 2.99 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 29 H 8.95 5.13 0.00 3.07 3.32 0.00 5.83 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 I 8.79 4.50 1.93 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 1.34 1.59 0.94 0.00 0.00 31 N 8.65 4.60 0.00 3.03 2.91 0.00 0.00 6.69 6.92 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 32 N 8.93 4.15 0.00 2.67 2.90 0.00 0.00 6.86 7.98 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 33 G 7.40 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 L 7.89 4.12 0.00 1.67 1.77 0.93 0.87 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 35 V 7.85 4.56 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 1.09 0.00 0.00 0.96 0.00 0.00 36 E 8.82 5.04 0.00 1.68 1.12 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 2.06 2.15 0.00 37 R 9.27 4.49 0.00 1.95 1.98 0.00 3.23 0.00 0.00 3.50 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 38 Y 8.89 4.82 0.00 2.84 2.96 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 39 H 8.87 4.27 0.00 3.40 3.46 0.00 5.57 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 D 7.99 4.19 0.00 2.77 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 41 L 8.02 4.47 0.00 1.65 1.70 1.02 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 42 A 7.56 4.77 1.19 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 0.00 0.00 43 L 8.84 4.27 0.00 1.66 1.67 0.94 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 44 V 8.00 3.85 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 0.74 0.00 0.00 0.92 0.00 0.00 45 E 9.08 4.67 0.00 2.02 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 2.19 2.28 0.00 46 I 8.44 4.91 1.86 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 1.04 0.94 0.00 0.00 47 L 8.50 4.65 0.00 1.65 1.55 0.91 1.08 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 48 E 8.43 3.64 0.00 2.07 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 2.22 2.27 0.00 49 Q 7.18 4.63 0.00 2.04 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.90 0.00 0.00 0.00 0.00 0.00 2.36 2.14 0.00 50 D 9.04 4.37 0.00 2.67 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 51 R 7.07 4.57 0.00 2.01 1.90 0.00 3.27 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.72 0.00 52 T 8.21 4.42 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 1.19 0.00 0.00 53 L 8.44 4.84 0.00 1.88 1.50 0.91 0.88 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 54 I 8.39 4.95 1.87 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 1.39 0.87 0.91 0.00 0.00 55 S 8.89 4.77 0.00 3.87 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 56 I 8.28 5.01 1.90 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 1.37 0.69 0.95 0.00 0.00 57 N 9.47 4.78 0.00 2.90 2.85 0.00 0.00 6.16 7.21 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 58 R 8.75 4.81 0.00 1.92 1.92 0.00 3.23 0.00 0.00 3.53 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 59 A 8.75 4.81 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 60 Q 8.67 4.63 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.02 0.00 0.00 0.00 0.00 0.00 2.49 2.33 0.00 61 P 0.00 5.01 0.00 2.07 2.16 0.00 3.79 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 62 A 8.32 4.53 1.17 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 0.00 0.00 63 N 8.54 4.40 0.00 2.70 2.74 0.00 0.00 6.92 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 64 L 8.12 4.59 0.00 1.53 1.50 0.65 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 65 P 0.00 4.50 0.00 2.23 2.10 0.00 3.77 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 66 L 8.54 4.11 0.00 2.12 1.82 0.84 0.29 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 67 T 8.39 5.19 4.25 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 1.27 0.00 0.00 68 I 8.11 4.23 1.62 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.55 0.49 0.00 0.00 69 H 8.40 5.12 0.00 3.14 3.48 0.00 5.40 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.04 5.29 0.00 1.98 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 2.13 2.31 0.00 71 L 8.86 4.94 0.00 1.83 1.80 1.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 72 E 9.67 5.95 0.00 1.84 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 2.16 1.70 0.00 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132 R 7.31 4.77 0.00 1.74 1.82 0.00 3.24 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.54 0.00 133 V 8.48 3.94 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 0.87 0.00 0.00 1.02 0.00 0.00 134 T 8.76 4.64 4.24 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 0.49 0.00 0.00 135 D 8.44 5.26 0.00 2.46 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 F 8.92 4.87 0.00 3.07 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 0.00 137 L 9.01 4.71 0.00 1.78 1.56 0.96 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 138 T 9.04 5.24 4.20 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 0.82 0.00 0.00 139 I 8.03 5.05 1.78 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 2.10 0.87 0.00 0.00 140 D 7.85 4.88 0.00 2.69 2.59 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 0.00 141 R 8.90 3.80 0.00 1.85 1.93 0.00 3.44 0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 142 G 7.19 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 0.00 0.00 0.00 143 G 7.14 4.07 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 0.00 0.00 0.00 144 S 8.30 4.27 0.00 3.83 3.75 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 0.00 0.00 0.00 *147 C 8.18 4.30 0.00 2.95 2.75 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 0.00 0.00 0.00 148 D 7.28 4.81 0.00 2.51 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 V 8.38 5.06 2.15 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 0.73 0.00 0.00 0.98 0.00 0.00 150 E 9.34 4.78 0.00 1.58 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 2.42 2.13 0.00 151 S 8.68 5.06 0.00 3.89 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 0.00 152 I 8.32 4.78 1.80 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.70 0.77 0.00 0.00 153 P 0.00 4.16 0.00 2.17 2.10 0.00 3.75 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.92 0.00 154 E 8.46 3.88 0.00 1.93 1.92 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 2.31 2.37 0.00 155 Q 8.99 4.59 0.00 2.14 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.53 0.00 0.00 0.00 0.00 0.00 2.17 2.25 0.00 156 E 8.57 4.99 0.00 2.06 1.78 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 2.29 2.32 0.00 157 L 8.32 4.64 0.00 1.63 1.40 0.88 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 158 C 8.70 4.97 0.00 2.85 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 0.00 159 F 8.43 4.97 0.00 2.97 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 0.00 160 A 8.49 4.14 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.