NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.1143 8.2516 119.7350 55.2220 33.4855 174.3138 2 K 4.0622 8.1268 124.8372 54.1611 33.0919 174.4549 3 T 4.6762 9.2918 116.9553 58.7246 74.1725 172.6078 4 P 4.1742 0.0000 0.0000 65.6302 31.2045 179.2070 5 I 3.6979 7.5585 118.4583 64.5591 37.2178 178.3943 6 T 3.9263 8.0184 110.5777 64.6787 68.4283 176.4661 7 E 3.9061 8.4891 121.6854 59.0929 29.5418 178.9499 8 A 3.9608 7.7651 120.7581 55.2218 18.3637 179.8144 9 I 3.6122 7.7815 118.0355 64.4295 37.1287 178.4050 10 A 3.9562 8.3038 121.7442 55.0807 17.6394 179.5149 11 A 3.8789 8.2303 119.0478 55.1976 18.5213 179.6989 12 A 3.9237 7.8343 118.9861 55.5207 18.6090 179.3052 13 D 4.2442 8.3930 116.9059 57.5833 40.9800 178.0558 14 N 4.3873 8.3044 116.8857 55.8912 38.9803 175.8747 15 Q 4.5073 7.4486 116.0693 54.4357 29.1281 175.5569 16 G 3.9574 7.8288 107.7637 46.3857 0.0000 173.6255 17 R 4.7228 7.7286 114.1431 53.3416 32.5334 174.6939 18 F 4.3038 8.6950 116.9532 56.6422 39.6461 175.5740 19 L 4.1415 8.4767 122.3464 55.0421 42.1030 177.5732 20 S 4.8054 9.0234 117.6493 56.4122 66.8193 174.7939 21 N 4.3556 8.5439 118.5435 56.8769 38.5744 176.6611 22 T 3.8552 7.6587 117.6229 66.7095 68.5406 176.4106 23 E 4.0343 8.0928 119.9748 59.2175 29.5184 179.1835 24 L 4.0258 8.0864 119.2064 57.8199 41.5868 179.5402 25 Q 3.9645 8.4258 118.0900 58.7578 28.4968 178.5573 26 A 3.9362 7.7829 121.5282 55.0375 18.3670 179.9223 27 V 3.2821 7.7018 116.8583 65.9017 31.5643 177.6659 28 N 4.4442 8.3951 117.2514 56.7468 38.5857 176.9766 29 G 3.6132 8.1841 107.2114 47.7483 0.0000 175.6992 30 R 3.8963 7.6223 120.8055 59.3986 29.8959 178.1608 31 Y 4.4527 7.6523 115.4557 61.4454 37.9365 178.4789 32 Q 4.1858 8.2165 118.0187 58.7706 29.1237 178.2474 33 R 4.1217 8.0035 119.0357 58.3924 30.0778 178.0097 34 A 4.0752 8.0627 120.6008 55.1537 18.3003 179.3223 35 A 3.9283 8.0697 118.6534 55.4520 18.5057 179.5973 36 A 4.0076 7.9551 118.7359 55.2024 18.4768 179.9019 37 S 4.1233 7.9767 113.3200 61.9260 62.9181 176.9976 38 L 4.0375 8.3235 121.8757 57.3682 41.3322 179.1818 39 E 3.9010 8.2155 119.2459 59.1494 29.5223 178.7206 40 A 3.9706 8.0415 120.6022 55.1458 18.4704 179.4166 41 A 3.9424 8.2677 119.5272 55.2412 18.4550 179.8803 42 R 3.8072 8.2321 117.2970 59.5352 30.2896 178.6604 43 S 4.0875 8.1172 112.8410 61.5224 62.2254 176.0776 44 L 4.0451 7.9375 120.4164 58.0534 41.6102 179.5118 45 T 4.0539 7.9640 115.8667 66.7460 68.2767 177.0737 46 S 4.2726 8.0630 114.4651 60.6481 63.2105 175.1479 47 N 4.8347 7.8922 118.2454 52.8094 38.5011 176.2668 48 A 4.0176 7.8002 124.8706 55.6822 18.4445 180.2841 49 E 3.9177 8.1926 116.1339 59.5866 29.5770 179.5704 50 R 3.9153 7.9351 118.0957 59.4935 30.2265 178.4606 51 L 4.2442 8.0831 118.8207 57.7547 41.5468 179.6236 52 I 3.6934 8.1866 120.1925 64.4958 37.1119 178.2768 53 N 4.3502 8.3070 117.4590 56.2963 38.3964 177.8417 54 G 3.4330 8.3623 108.2408 46.9250 0.0000 175.7148 55 A 3.2425 7.8296 122.9129 54.5113 18.3534 179.6021 56 A 3.3996 7.7886 119.4225 55.1332 18.3660 179.6551 57 Q 3.7389 7.6895 117.8064 59.1398 29.0791 178.3362 58 A 3.8385 7.5343 121.8324 54.8265 18.3110 179.9070 59 V 3.5224 7.1852 116.3702 66.4504 31.2761 177.9640 60 Y 4.3940 7.2449 116.4460 61.1868 37.3871 178.8701 61 S 4.2010 8.0240 115.6237 61.2751 63.0369 176.2706 62 K 3.9840 7.8662 121.5199 57.7539 33.4186 177.0477 63 F 4.9023 8.1712 118.8730 54.1216 39.0049 173.5614 64 P 4.4216 0.0000 0.0000 64.8827 31.5357 177.2327 65 Y 4.1909 8.2403 116.0799 60.1982 37.6280 178.5145 66 T 3.6795 7.2501 111.5568 63.4377 68.4163 175.4863 67 S 4.4998 7.7585 116.8821 57.3975 63.3838 175.0794 68 Q 4.2069 7.3397 120.2726 57.7163 30.3529 176.3222 69 M 4.0537 7.5802 117.3016 54.3618 32.2993 174.6535 70 P 4.4901 0.0000 0.0000 62.0487 32.6287 174.9230 71 G 4.4180 8.6631 109.1595 43.3744 0.0000 172.3436 72 P 4.3602 0.0000 0.0000 65.1634 31.4838 177.5071 73 Q 4.1452 7.8936 115.1576 57.4366 28.7325 175.1903 74 Y 4.5854 7.4783 116.5957 56.6983 39.6469 174.9255 75 A 4.1989 8.2250 122.1060 52.4823 19.3343 178.8658 76 S 4.6625 8.3085 113.4330 59.1240 64.1930 173.9008 77 S 4.7723 7.4141 115.6981 55.8888 67.2052 174.5236 78 A 3.9592 8.3318 123.5294 55.2633 18.1195 180.2654 79 V 3.6957 7.8195 117.4208 64.7461 31.4642 178.7634 80 G 3.6280 7.9253 107.6664 47.1224 0.0000 175.9092 81 K 4.0255 8.1373 121.2691 58.9372 32.0202 179.3972 82 A 3.9963 8.1316 121.1307 55.1265 18.2591 179.9037 83 K 3.9519 8.2602 117.0848 59.3152 32.0782 179.3247 84 C 4.0894 8.1859 119.0004 62.5281 31.5898 175.5078 85 A 3.9585 7.9130 122.2844 54.9081 17.8436 179.5370 86 R 3.5922 7.9285 117.2344 59.5881 30.1741 178.3616 87 D 4.2447 8.0395 118.5981 57.6378 40.9242 178.9711 88 I 4.0170 7.9986 120.2566 64.4470 36.9800 178.7781 89 G 3.6604 8.1947 106.6023 47.8927 0.0000 175.3620 90 Y 4.4111 8.0561 119.1523 61.2901 37.9053 178.3514 91 Y 4.0312 8.3318 117.5924 61.0102 38.1177 178.4689 92 L 4.0402 8.2235 121.3315 58.0972 42.2150 178.9593 93 R 3.6592 8.2734 118.9130 59.6584 30.0145 178.4126 94 M 3.9592 8.1094 118.5642 58.1376 31.8860 178.8639 95 V 3.6091 7.7849 118.7048 66.3165 31.7754 178.2326 96 T 3.9182 7.7206 109.1029 65.0234 68.4461 176.0175 97 Y 4.3740 7.7641 119.5479 61.1381 37.8757 178.1791 98 C 4.1539 7.9793 118.9428 62.1220 27.8566 176.1185 99 L 3.9589 7.3906 119.4022 57.7206 41.2723 179.4908 100 V 3.7471 7.6094 117.0006 66.0451 31.6698 178.0186 101 V 3.9839 7.6661 109.5192 61.3003 31.6944 176.8067 102 G 3.8482 9.5279 106.7172 45.6746 0.0000 173.0776 103 G 4.0546 7.3520 107.2646 43.8878 0.0000 174.4655 104 T 4.2408 8.2043 108.0612 61.6222 68.9209 176.4020 105 G 3.9318 7.8266 111.1740 47.1700 0.0000 173.7468 106 P 3.7154 0.0000 0.0000 65.0701 31.3074 178.4806 107 M 4.0367 7.8563 116.5191 58.6662 32.3920 177.7366 108 D 4.4067 8.4732 119.5094 57.5170 40.9393 178.7271 109 E 3.9386 8.1952 118.9659 59.1605 29.4054 178.3248 110 Y 4.5938 7.7336 114.6743 58.7154 38.3566 175.9132 111 L 4.4949 7.6011 118.2737 56.6015 44.6631 177.4739 112 I 3.7601 8.1574 119.2825 63.9290 37.2206 176.2812 113 A 4.2361 7.6837 123.8660 53.6774 18.3661 177.6986 114 G 3.9857 9.0377 112.2391 45.4578 0.0000 174.6261 115 L 3.8811 7.9778 121.8052 58.3362 41.9898 178.4156 116 E 3.8955 8.1390 118.4282 59.3363 29.5284 178.2071 117 E 3.9360 8.1200 118.7417 59.3082 29.7438 178.6986 118 I 3.9221 7.8674 119.8245 64.5903 37.1445 178.1775 119 N 4.3984 8.3510 117.3990 56.3083 37.8409 177.5570 120 R 3.8422 8.0837 120.0954 59.6115 29.9862 178.6869 121 T 3.6545 7.9790 114.6836 66.5460 68.4065 175.2616 122 F 4.4052 8.1721 116.5003 56.6416 39.4145 174.9926 123 D 4.2875 7.4927 118.3200 55.2634 39.5999 173.4740 124 L 4.4464 8.0105 118.0231 52.8722 43.7136 176.7755 125 S 3.9136 5.8100 118.2320 56.5379 63.2267 172.6534 126 P 4.3756 0.0000 0.0000 65.9242 31.2285 178.7421 127 S 4.2909 7.8418 111.9995 60.8019 62.6970 176.5012 128 W 4.1679 7.7223 123.2807 60.0032 28.6499 178.0027 129 Y 3.9345 7.9016 116.2396 60.6900 37.2779 178.1821 130 V 3.6058 7.9025 119.3914 65.9360 31.6320 177.7214 131 E 3.9795 8.3430 118.5713 59.2119 29.6297 178.6419 132 A 3.9778 7.8432 120.6447 55.2009 18.4283 179.6506 133 L 4.0320 8.2196 117.7188 58.0316 41.7784 179.4953 134 N 4.4001 8.5929 116.8174 56.2643 38.1837 176.8888 135 Y 3.9107 8.1304 121.0624 60.7325 38.9252 177.9887 136 I 3.8067 7.8247 120.4861 64.3429 36.9932 178.3017 137 K 3.8432 7.8467 119.1080 59.4151 32.1439 178.3706 138 A 4.1001 7.6433 118.9967 53.5609 18.4793 177.5369 139 N 4.7427 7.1122 111.8690 52.8964 39.5888 175.2124 140 H 4.2343 7.8034 115.1155 57.9674 28.8771 177.2497 *143 G 3.8639 7.9286 107.8900 44.9893 0.0000 172.6740 144 L 4.3580 7.3817 119.8992 53.9358 42.8386 175.5845 145 S 4.6627 7.7891 113.5764 56.8099 66.8950 174.0420 146 G 3.8735 8.5068 109.7428 46.4879 0.0000 175.6002 147 Q 4.0601 8.7626 118.1428 58.6114 29.0252 177.8492 148 A 4.2689 7.9885 121.7120 54.9799 18.4137 179.3229 149 A 3.9067 7.9512 119.0225 55.0261 18.4326 179.3355 150 N 4.0673 7.8997 115.2614 56.7450 38.6436 176.5935 *161 E 4.2136 7.9890 118.1431 56.4152 31.8719 177.9373 162 A 4.1649 8.1032 120.2866 55.4810 18.4240 179.5443 163 N 4.4282 8.5242 115.1994 56.6397 38.5400 177.8334 164 T 3.8525 7.9763 117.3594 66.8270 68.5642 176.2163 165 Y 4.3827 7.5893 117.3145 60.7207 37.9328 178.2061 166 I 3.8887 7.9904 121.0136 64.6651 37.2016 178.2326 167 D 4.4322 8.7086 120.1352 57.4145 40.4481 178.1871 168 Y 4.0604 8.2092 120.0685 60.5859 38.5558 178.1082 169 A 4.0619 8.0342 120.6450 55.2132 18.8896 179.1983 170 I 3.8347 7.9933 118.4073 64.8447 37.2200 178.4610 171 N 4.3494 8.5369 117.2004 56.1248 38.0945 177.3109 172 A 3.9961 7.4741 121.1338 54.1113 18.5245 178.5715 173 L 4.4453 7.5150 115.2202 54.9388 42.2586 176.8974 174 S 4.3337 7.6325 120.2800 58.5880 63.3748 173.7353 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 M 8.25 5.11 0.00 1.91 1.94 0.00 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 2 K 8.13 4.06 0.00 1.86 1.59 0.00 1.86 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.46 7.81 3 T 9.29 4.68 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 1.16 0.00 0.00 4 P 0.00 4.17 0.00 2.11 2.10 0.00 3.62 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.21 0.00 5 I 7.56 3.70 1.83 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 1.55 0.44 0.88 0.00 0.00 6 T 8.02 3.93 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 1.18 0.00 0.00 7 E 8.49 3.91 0.00 1.99 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 2.30 2.56 0.00 8 A 7.77 3.96 1.35 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 0.00 0.00 9 I 7.78 3.61 2.01 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 1.44 0.77 0.88 0.00 0.00 10 A 8.30 3.96 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 11 A 8.23 3.88 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 12 A 7.83 3.92 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 13 D 8.39 4.24 0.00 2.84 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 14 N 8.30 4.39 0.00 2.81 2.97 0.00 0.00 7.18 7.40 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 15 Q 7.45 4.51 0.00 2.20 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.59 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 16 G 7.83 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 17 R 7.73 4.72 0.00 1.99 1.93 0.00 3.11 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 18 F 8.70 4.30 0.00 3.00 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 19 L 8.48 4.14 0.00 1.71 1.64 0.95 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 20 S 9.02 4.81 0.00 4.00 4.01 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 0.00 0.00 0.00 21 N 8.54 4.36 0.00 2.86 2.86 0.00 0.00 6.89 7.22 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 22 T 7.66 3.86 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 1.21 0.00 0.00 23 E 8.09 4.03 0.00 2.19 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 2.58 2.44 0.00 24 L 8.09 4.03 0.00 1.71 1.73 0.94 0.87 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 25 Q 8.43 3.96 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.48 0.00 26 A 7.78 3.94 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 27 V 7.70 3.28 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 0.36 0.00 0.00 0.84 0.00 0.00 28 N 8.40 4.44 0.00 2.90 3.00 0.00 0.00 7.11 8.67 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 29 G 8.18 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 30 R 7.62 3.90 0.00 1.82 1.88 0.00 3.17 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 31 Y 7.65 4.45 0.00 3.17 2.87 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 32 Q 8.22 4.19 0.00 2.07 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 7.02 0.00 0.00 0.00 0.00 0.00 2.66 2.55 0.00 33 R 8.00 4.12 0.00 1.98 2.07 0.00 3.18 0.00 0.00 3.18 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 34 A 8.06 4.08 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 35 A 8.07 3.93 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 A 7.96 4.01 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 37 S 7.98 4.12 0.00 4.06 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 38 L 8.32 4.04 0.00 1.76 1.73 0.95 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 39 E 8.22 3.90 0.00 2.17 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 0.00 2.31 2.34 0.00 40 A 8.04 3.97 1.46 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 0.00 0.00 0.00 41 A 8.27 3.94 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 42 R 8.23 3.81 0.00 2.04 2.07 0.00 3.12 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 43 S 8.12 4.09 0.00 3.95 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 44 L 7.94 4.05 0.00 1.67 1.75 0.96 1.27 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 45 T 7.96 4.05 4.44 0.00 0.00 0.00 0.00 0.00 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 46 S 8.06 4.27 0.00 4.05 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 47 N 7.89 4.83 0.00 2.91 2.88 0.00 0.00 6.72 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 48 A 7.80 4.02 1.42 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 49 E 8.19 3.92 0.00 2.00 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 2.41 2.33 0.00 50 R 7.94 3.92 0.00 1.90 2.13 0.00 3.21 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 1.76 1.76 0.00 51 L 8.08 4.24 0.00 1.94 1.82 0.98 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 52 I 8.19 3.69 1.87 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 1.55 0.76 0.91 0.00 0.00 53 N 8.31 4.35 0.00 2.78 2.82 0.00 0.00 6.98 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 54 G 8.36 3.43 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 0.00 55 A 7.83 3.24 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 56 A 7.79 3.40 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 Q 7.69 3.74 0.00 2.15 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 58 A 7.53 3.84 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 59 V 7.19 3.52 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 0.81 0.00 0.00 0.87 0.00 0.00 60 Y 7.24 4.39 0.00 3.20 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 61 S 8.02 4.20 0.00 3.77 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 62 K 7.87 3.98 0.00 1.54 1.73 0.00 1.14 0.00 0.00 1.30 0.00 0.00 2.94 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.87 0.21 7.81 63 F 8.17 4.90 0.00 2.86 2.42 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 64 P 0.00 4.42 0.00 2.20 2.11 0.00 3.99 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.13 0.00 65 Y 8.24 4.19 0.00 3.08 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 66 T 7.25 3.68 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 0.09 0.00 0.00 67 S 7.76 4.50 0.00 3.74 3.56 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 0.00 68 Q 7.34 4.21 0.00 1.98 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.95 0.00 0.00 0.00 0.00 0.00 2.20 2.42 0.00 69 M 7.58 4.05 0.00 1.54 1.15 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.36 0.00 70 P 0.00 4.49 0.00 2.22 2.07 0.00 3.78 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.97 0.00 71 G 8.66 4.42 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 0.00 72 P 0.00 4.36 0.00 2.25 2.25 0.00 3.82 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 73 Q 7.89 4.15 0.00 2.34 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.87 0.00 0.00 0.00 0.00 0.00 1.16 2.03 0.00 74 Y 7.48 4.59 0.00 3.11 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.22 4.20 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 S 8.31 4.66 0.00 3.93 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 77 S 7.41 4.77 0.00 4.01 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 78 A 8.33 3.96 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 79 V 7.82 3.70 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 0.85 0.00 0.00 0.93 0.00 0.00 80 G 7.93 3.63 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 0.00 0.00 0.00 81 K 8.14 4.03 0.00 1.76 1.85 0.00 1.54 0.00 0.00 1.36 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.13 1.40 7.81 82 A 8.13 4.00 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 83 K 8.26 3.95 0.00 1.94 1.86 0.00 1.66 0.00 0.00 1.53 0.00 0.00 2.86 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.41 7.81 84 C 8.19 4.09 0.00 3.11 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 85 A 7.91 3.96 1.35 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 0.00 0.00 86 R 7.93 3.59 0.00 1.85 1.96 0.00 3.05 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 1.35 0.00 87 D 8.04 4.24 0.00 3.20 3.16 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 88 I 8.00 4.02 2.00 0.00 0.00 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 1.43 0.78 0.92 0.00 0.00 89 G 8.19 3.66 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 0.00 0.00 0.00 90 Y 8.06 4.41 0.00 3.19 2.84 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 91 Y 8.33 4.03 0.00 3.35 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 92 L 8.22 4.04 0.00 1.86 1.86 0.99 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 93 R 8.27 3.66 0.00 1.94 1.89 0.00 3.16 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 1.19 0.00 94 M 8.11 3.96 0.00 2.08 2.20 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.83 0.00 95 V 7.78 3.61 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 1.15 0.00 0.00 1.10 0.00 0.00 96 T 7.72 3.92 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 1.24 0.00 0.00 97 Y 7.76 4.37 0.00 3.16 2.91 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 98 C 7.98 4.15 0.00 2.30 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 99 L 7.39 3.96 0.00 1.82 1.94 1.04 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 100 V 7.61 3.75 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 0.84 0.00 0.00 1.01 0.00 0.00 101 V 7.67 3.98 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 0.77 0.00 0.00 0.92 0.00 0.00 102 G 9.53 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 111 L 7.60 4.49 0.00 1.45 1.68 0.10 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 0.00 112 I 8.16 3.76 1.91 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.68 0.90 0.00 0.00 113 A 7.68 4.24 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 0.00 114 G 9.04 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 0.00 115 L 7.98 3.88 0.00 2.04 1.73 0.87 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 116 E 8.14 3.90 0.00 2.11 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 2.37 2.42 0.00 117 E 8.12 3.94 0.00 2.12 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 2.39 2.48 0.00 118 I 7.87 3.92 2.05 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 1.61 0.56 1.02 0.00 0.00 119 N 8.35 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0.00 0.00 0.00 0.00 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 W 7.72 4.17 0.00 2.98 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 0.00 129 Y 7.90 3.93 0.00 3.06 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 0.00 130 V 7.90 3.61 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 1.14 0.00 0.00 1.04 0.00 0.00 131 E 8.34 3.98 0.00 2.42 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 2.35 2.40 0.00 132 A 7.84 3.98 1.25 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 0.00 133 L 8.22 4.03 0.00 1.86 1.78 0.91 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 134 N 8.59 4.40 0.00 2.97 2.90 0.00 0.00 6.64 8.19 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 0.00 135 Y 8.13 3.91 0.00 3.02 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 0.00 136 I 7.82 3.81 2.12 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 1.57 1.31 1.00 0.00 0.00 137 K 7.85 3.84 0.00 1.91 2.01 0.00 1.83 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.43 1.69 7.81 138 A 7.64 4.10 1.22 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 0.00 139 N 7.11 4.74 0.00 2.21 2.54 0.00 0.00 7.00 7.74 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 0.00 140 H 7.80 4.23 0.00 3.34 3.58 0.00 5.49 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *143 G 7.93 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 0.00 0.00 0.00 144 L 7.38 4.36 0.00 1.69 1.57 0.77 0.69 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 0.00 145 S 7.79 4.66 0.00 3.79 3.66 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 0.00 146 G 8.51 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 0.00 0.00 0.00 147 Q 8.76 4.06 0.00 2.04 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.03 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 148 A 7.99 4.27 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 0.00 149 A 7.95 3.91 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 0.00 150 N 7.90 4.07 0.00 2.97 3.02 0.00 0.00 7.16 6.94 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 *161 E 7.99 4.21 0.00 2.25 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 2.42 2.31 0.00 162 A 8.10 4.16 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 0.00 163 N 8.52 4.43 0.00 2.82 2.91 0.00 0.00 7.09 7.88 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 0.00 164 T 7.98 3.85 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 0.86 0.00 0.00 165 Y 7.59 4.38 0.00 3.14 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 0.00 166 I 7.99 3.89 2.11 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 1.65 0.88 1.03 0.00 0.00 167 D 8.71 4.43 0.00 2.89 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 0.00 168 Y 8.21 4.06 0.00 3.25 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 0.00 169 A 8.03 4.06 1.62 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 0.00 170 I 7.99 3.83 2.08 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 1.57 0.99 0.94 0.00 0.00 171 N 8.54 4.35 0.00 2.74 2.78 0.00 0.00 6.94 8.56 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 0.00 172 A 7.47 4.00 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 0.00 173 L 7.51 4.45 0.00 1.84 1.75 0.99 0.87 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 0.00 174 S 7.63 4.33 0.00 3.81 3.72 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 * Residues marked with a * may have inaccurate shift predictions.