NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.6267 8.2233 120.1951 53.7334 42.6805 176.1937 3 D 4.3296 8.5129 122.5208 56.4786 40.6275 177.6131 4 R 3.9274 8.1461 119.2916 59.1850 30.5620 177.7202 5 L 3.9616 7.9367 119.7452 58.1642 41.8961 178.6107 6 F 4.1812 7.9535 118.9476 61.4127 39.4351 177.0448 7 R 3.9156 7.9593 116.5206 59.1475 29.9278 178.3436 8 N 4.3946 8.3574 115.4512 56.2318 38.8176 177.6908 9 A 4.0207 7.9099 118.1498 53.2266 18.2255 179.1112 *11 G 3.8095 8.0390 109.5829 46.3718 0.0000 175.1868 12 K 3.9359 8.2106 118.2814 57.2784 32.2816 176.5756 13 F 4.7033 7.9559 121.6196 56.1992 39.3334 174.8853 14 A 4.6809 8.1009 130.5009 52.4518 19.1555 176.0812 15 T 4.5614 8.8111 109.6904 60.0541 73.1322 174.0184 16 G 4.1645 8.5237 109.3577 44.9421 0.0000 172.4825 17 V 4.7696 8.3376 118.3293 61.2622 34.8138 174.9809 18 T 5.0776 8.8790 117.0250 59.8336 72.6284 172.7055 19 V 4.4697 8.3918 122.2145 61.0785 34.1002 174.4258 20 I 4.6520 8.2099 129.1358 60.9954 38.4782 174.9918 21 T 5.1299 8.8802 116.9125 60.5761 72.4336 172.5194 22 T 4.7145 8.4488 116.1437 61.4655 71.9574 171.3643 23 E 5.0767 8.5894 123.6766 54.1197 33.0090 174.0262 24 L 4.8071 8.7188 128.0832 54.3727 44.4493 175.8923 25 N 3.9151 10.0177 123.9874 54.2876 36.2780 175.6268 26 G 4.4642 8.4902 106.1433 45.0805 0.0000 174.6875 27 A 3.9953 7.6835 123.7390 51.9240 18.9260 176.1449 28 V 4.3885 7.9767 122.7707 61.8503 32.7199 174.7442 29 H 5.0240 9.1929 125.1469 54.1977 32.1677 173.4314 30 G 4.7770 8.4199 107.4619 44.7540 0.0000 171.2626 *32 T 4.3974 8.3929 114.7671 63.3557 69.6971 173.6534 33 A 4.7203 8.9490 128.5311 50.6300 22.2160 175.9415 34 N 4.9760 8.7602 117.1707 52.6102 39.2998 175.6587 35 A 4.4056 7.7387 123.9539 51.1417 16.8299 175.3284 36 F 5.6343 7.6254 122.4459 54.5781 43.5363 173.4705 *38 S 4.0357 8.2807 115.7785 58.1419 62.8095 171.7630 39 V 4.1765 8.2953 124.9167 63.7594 33.3870 175.3366 40 S 4.7006 7.4904 113.0001 56.3474 65.6591 174.1491 41 L 3.9777 8.6708 127.9949 56.9490 42.3242 176.4873 42 N 4.8321 7.8377 117.4489 50.5518 40.0466 172.5197 43 P 4.4892 0.0000 0.0000 61.6069 32.8103 176.3254 44 K 4.4588 8.3691 117.4646 56.2561 32.2493 176.2081 45 L 5.4966 9.0102 125.5979 52.7501 45.5635 176.2619 46 V 4.8606 8.9731 120.8095 60.0990 35.4103 173.8872 47 L 5.4874 8.2231 121.9498 53.5024 45.7002 175.1638 48 V 4.8389 8.8447 124.0949 59.9609 35.2571 174.1445 49 S 5.1913 8.6936 116.2907 56.7296 64.6293 173.1533 50 I 4.6730 8.9340 128.0767 59.0743 40.4926 175.5306 51 G 3.7107 8.6518 113.8337 45.8309 0.0000 174.3903 52 E 4.0987 8.8552 121.5652 58.6832 29.5845 178.1331 53 K 4.2674 7.8690 115.7259 56.0349 32.6799 176.1454 54 A 4.3003 7.6389 123.6172 51.2994 18.8900 179.4728 55 K 3.9367 8.5581 125.9763 56.0689 32.2120 179.0216 *57 L 4.3504 8.0881 120.9998 55.1200 44.1162 178.1983 58 E 4.2027 8.0846 116.5350 59.3684 29.3883 178.8180 59 K 3.8545 7.6351 118.0921 59.4654 32.1124 179.3595 60 I 3.6209 7.4605 119.3439 64.2771 36.8120 178.2038 61 Q 4.2488 7.9350 118.0655 59.0136 28.5658 178.9286 62 Q 4.1682 7.9615 118.3752 58.9968 29.1075 178.4439 63 S 4.2062 8.1086 113.7785 59.1789 63.1653 174.8033 64 K 4.0248 8.6203 120.4076 56.5827 30.0702 174.3879 65 K 5.1385 7.6057 116.6142 56.1293 35.9471 174.6197 66 Y 4.9995 8.0913 116.1958 56.2667 41.5279 172.9699 67 A 5.1889 9.1035 123.0836 50.2502 22.7140 175.3313 68 V 4.3999 8.8684 120.9827 61.2429 33.8364 174.3233 69 N 5.2382 8.9601 126.4896 51.5226 40.5641 173.9823 70 I 4.3001 8.4655 126.4679 60.8399 38.7548 175.6434 71 L 4.9565 8.9665 128.0504 53.9961 43.3537 176.9256 72 S 4.8610 9.0820 118.0070 57.4338 64.4063 174.7891 73 Q 3.9476 8.8260 122.1572 59.4378 28.6699 177.3112 74 D 4.7621 7.9121 115.1771 54.4903 41.0750 176.3960 75 Q 4.6111 7.8825 118.4858 55.3345 29.7556 177.6346 76 K 3.5265 8.2403 121.7876 59.4244 32.3552 178.1348 77 V 3.6726 7.6294 117.2455 65.7504 31.9096 176.9058 78 L 4.0953 7.9351 119.4689 57.9476 41.3043 179.4434 79 S 4.3737 7.9246 108.8612 59.4511 62.0320 175.0410 *81 N 4.4662 8.1721 117.4491 53.4243 40.0007 175.7948 82 F 4.4412 8.3327 113.2158 58.2866 38.9728 175.9406 83 A 4.5032 7.7008 122.1642 51.3264 19.1620 177.4678 84 G 3.8943 8.0624 103.9760 47.0322 0.0000 174.8962 85 Q 4.4506 8.1808 116.6730 55.2260 29.7232 175.5125 86 L 4.7352 7.4421 118.1073 52.6001 43.7711 176.3589 87 E 4.0499 8.9187 122.5374 58.4180 29.6922 177.3573 88 K 4.5238 7.6093 118.5433 53.4270 34.2990 173.8171 89 P 4.4634 0.0000 0.0000 62.7104 31.9397 176.4025 90 V 3.9263 8.0270 114.7563 60.2792 32.6827 176.2944 91 D 4.4843 8.2782 121.9327 53.3891 40.1901 175.6211 92 V 3.7991 7.9321 126.4504 61.7046 32.7400 175.3570 93 Q 4.2516 8.2211 125.9512 55.3469 29.4399 174.7986 94 F 5.3928 8.6726 123.1866 56.2631 41.5385 175.5459 95 E 4.8212 9.2693 118.7571 55.1710 33.0494 173.5345 96 E 5.1059 8.7438 118.3802 54.8724 32.8575 175.6812 97 L 4.4016 9.0350 126.7202 54.9781 45.2314 175.6582 98 G 4.0957 9.2605 114.0525 45.5181 0.0000 173.9927 99 G 3.8863 8.4939 104.6222 45.1588 0.0000 173.8255 100 L 4.8958 7.5592 119.6027 51.6884 44.7842 174.1010 101 P 4.8272 0.0000 0.0000 63.0548 32.0647 175.8562 102 V 4.7376 9.1085 116.4555 59.4841 36.4234 174.3975 103 I 4.4417 8.8793 123.6364 59.7388 38.3976 175.8836 104 K 4.0391 8.2937 129.0740 58.1134 32.4114 176.2580 105 D 4.5019 8.9662 123.4731 54.6059 38.2430 174.0352 106 A 4.3669 7.4123 121.9063 52.1243 19.2373 178.0988 107 L 4.2021 8.9117 122.3199 57.4085 43.1247 176.9196 108 A 5.2162 7.7498 118.0261 50.6225 23.0677 174.8640 109 Q 4.9009 9.4730 118.8187 54.1563 32.8212 174.7530 110 I 4.9116 8.6380 123.8758 59.8064 41.0300 174.4232 111 S 4.9554 9.0015 124.1313 57.3532 64.9722 173.3985 112 C 5.2105 8.8479 120.9277 58.0483 32.7152 172.7700 113 Q 4.7646 8.5341 120.8587 53.8840 30.7365 175.3347 114 V 4.2903 8.6519 125.1940 63.5201 31.5914 175.9929 115 V 4.4515 8.8157 120.5122 61.4463 33.5050 175.1186 116 N 4.8278 7.8416 117.3847 52.6529 42.4396 172.9297 117 E 4.7155 8.6526 124.3372 54.7750 32.5488 174.3577 118 V 4.3180 8.4316 127.8833 60.8464 34.1445 174.4745 119 Q 4.3678 8.6945 129.2629 56.0514 30.1752 175.8888 120 A 4.4046 9.3491 129.4037 51.5114 21.1860 177.6656 121 G 3.8214 8.2899 114.5263 47.1609 0.0000 174.2551 122 D 4.5279 8.8118 125.7017 56.4668 40.9486 174.9684 123 H 5.3414 8.1314 115.2039 54.4961 33.9891 172.2055 124 T 4.8918 8.9870 116.8470 61.7975 71.6396 173.2780 125 L 4.8304 8.8491 126.5729 53.7045 43.5937 175.5766 126 F 5.0743 9.2195 123.9732 55.9500 40.9369 174.9162 127 I 4.7674 8.7103 126.2586 60.3732 38.6322 175.4752 128 G 4.4254 9.6277 114.1545 44.2899 0.0000 171.0455 129 E 4.9535 9.1404 125.8090 54.7810 31.2136 175.2914 130 V 4.2169 8.5296 128.4109 63.2723 31.5114 175.4559 131 T 4.5072 8.9681 118.4678 62.7942 70.3576 174.6323 132 D 4.9038 7.7567 119.6533 52.7212 45.6865 174.5784 133 I 4.9856 8.2470 121.1988 59.5739 41.3539 174.6017 134 K 4.6793 9.2505 126.8942 54.7748 35.4895 174.9360 135 I 5.0583 8.4902 126.6622 59.7653 40.6632 174.2034 136 T 4.6888 8.6535 114.0953 59.8266 72.8471 173.7018 137 E 4.5019 8.4391 117.7820 56.2474 29.8950 176.7940 138 Q 4.2555 7.8714 117.3119 55.8293 29.6654 175.4896 139 D 4.8431 8.3336 119.3487 53.3765 42.4356 174.1131 140 P 5.0248 0.0000 0.0000 61.7715 32.9480 175.5117 141 L 4.2426 8.4218 124.5075 55.4216 43.1786 175.6872 142 L 5.2801 8.8790 124.8411 52.9664 45.9659 175.1062 143 F 5.3678 9.3207 123.5413 56.6274 42.7573 173.4961 144 F 4.7428 8.9046 126.5356 57.9306 43.3379 174.0507 145 S 3.2333 8.5781 122.1821 59.4431 60.7533 173.5087 146 G 3.6210 7.4657 104.5974 45.4264 0.0000 173.8434 147 K 4.5183 6.8428 118.0873 54.0695 35.8091 175.0620 148 Y 5.0926 8.2754 118.5758 58.7418 38.9998 174.5379 149 H 5.1170 9.6066 119.2151 54.7310 34.1439 171.9387 150 Q 5.0380 8.4965 117.0696 53.7921 32.4796 175.8635 151 L 4.0313 8.5042 120.8523 54.2321 42.3343 177.3238 152 A 4.0003 8.5397 125.7455 52.9225 18.8399 177.5339 153 Q 4.2357 8.5972 120.4426 56.0015 29.0532 175.6513 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 D 8.22 4.63 0.00 2.79 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 3 D 8.51 4.33 0.00 2.87 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 4 R 8.15 3.93 0.00 1.90 1.93 0.00 3.19 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 5 L 7.94 3.96 0.00 1.82 1.89 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 6 F 7.95 4.18 0.00 3.05 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 7 R 7.96 3.92 0.00 2.08 1.97 0.00 3.31 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.80 0.00 8 N 8.36 4.39 0.00 2.82 2.82 0.00 0.00 7.03 7.28 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 9 A 7.91 4.02 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 *11 G 8.04 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 0.00 0.00 0.00 12 K 8.21 3.94 0.00 1.89 1.98 0.00 1.69 0.00 0.00 1.28 0.00 0.00 2.76 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.68 1.50 7.81 13 F 7.96 4.70 0.00 2.94 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 14 A 8.10 4.68 1.06 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 0.00 0.00 15 T 8.81 4.56 4.36 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 1.42 0.00 0.00 16 G 8.52 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 17 V 8.34 4.77 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 1.13 0.00 0.00 1.13 0.00 0.00 18 T 8.88 5.08 4.10 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 0.98 0.00 0.00 19 V 8.39 4.47 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 0.16 0.00 0.00 0.90 0.00 0.00 20 I 8.21 4.65 1.76 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.69 0.73 0.00 0.00 21 T 8.88 5.13 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 1.11 0.00 0.00 22 T 8.45 4.71 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 1.18 0.00 0.00 23 E 8.59 5.08 0.00 1.95 1.68 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 2.34 2.17 0.00 24 L 8.72 4.81 0.00 1.71 1.48 0.91 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 25 N 10.02 3.92 0.00 2.85 2.84 0.00 0.00 7.21 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 26 G 8.49 4.46 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 0.00 27 A 7.68 4.00 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 28 V 7.98 4.39 1.60 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 -0.19 0.00 0.00 0.52 0.00 0.00 29 H 9.19 5.02 0.00 3.04 3.15 0.00 5.61 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 G 8.42 4.78 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 0.00 0.00 0.00 *32 T 8.39 4.40 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 1.29 0.00 0.00 33 A 8.95 4.72 1.21 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 0.00 0.00 0.00 34 N 8.76 4.98 0.00 3.04 2.93 0.00 0.00 6.11 7.26 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 35 A 7.74 4.41 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 36 F 7.63 5.63 0.00 2.95 2.98 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 *38 S 8.28 4.04 0.00 3.86 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 39 V 8.30 4.18 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 0.82 0.00 0.00 0.92 0.00 0.00 40 S 7.49 4.70 0.00 3.83 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 41 L 8.67 3.98 0.00 1.63 1.66 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 42 N 7.84 4.83 0.00 2.70 2.72 0.00 0.00 6.92 8.02 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 43 P 0.00 4.49 0.00 2.18 2.08 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 44 K 8.37 4.46 0.00 1.75 1.84 0.00 1.61 0.00 0.00 1.83 0.00 0.00 2.82 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.55 7.81 45 L 9.01 5.50 0.00 1.56 1.54 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 46 V 8.97 4.86 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 1.14 0.00 0.00 1.11 0.00 0.00 47 L 8.22 5.49 0.00 1.71 1.43 0.92 0.75 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 48 V 8.84 4.84 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 0.29 0.00 0.00 1.02 0.00 0.00 49 S 8.69 5.19 0.00 3.94 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 50 I 8.93 4.67 2.16 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.64 0.97 0.00 0.00 51 G 8.65 3.71 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 0.00 0.00 0.00 52 E 8.86 4.10 0.00 2.07 2.18 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 2.29 2.29 0.00 53 K 7.87 4.27 0.00 1.76 1.88 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.42 7.81 54 A 7.64 4.30 1.32 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 55 K 8.56 3.94 0.00 1.83 1.84 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.84 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.46 7.81 *57 L 8.09 4.35 0.00 1.81 1.81 1.06 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.08 4.20 0.00 2.20 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 0.00 2.50 2.33 0.00 59 K 7.64 3.85 0.00 1.74 1.82 0.00 1.40 0.00 0.00 1.53 0.00 0.00 2.83 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.61 1.49 7.81 60 I 7.46 3.62 1.01 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 1.44 0.33 0.32 0.00 0.00 61 Q 7.94 4.25 0.00 2.29 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.98 0.00 0.00 0.00 0.00 0.00 2.92 2.92 0.00 62 Q 7.96 4.17 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.00 0.00 0.00 0.00 0.00 0.00 2.40 2.56 0.00 63 S 8.11 4.21 0.00 4.00 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 64 K 8.62 4.02 0.00 1.95 1.95 0.00 1.71 0.00 0.00 1.79 0.00 0.00 2.98 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.40 1.53 7.81 65 K 7.61 5.14 0.00 1.70 1.68 0.00 1.61 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.35 7.81 66 Y 8.09 5.00 0.00 3.10 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 67 A 9.10 5.19 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 68 V 8.87 4.40 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 0.07 0.00 0.00 1.09 0.00 0.00 69 N 8.96 5.24 0.00 2.61 2.67 0.00 0.00 6.60 6.76 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 70 I 8.47 4.30 1.84 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 1.05 0.63 0.91 0.00 0.00 71 L 8.97 4.96 0.00 1.66 1.56 1.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 72 S 9.08 4.86 0.00 3.99 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 73 Q 8.83 3.95 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.20 0.00 0.00 0.00 0.00 0.00 2.39 2.54 0.00 74 D 7.91 4.76 0.00 2.71 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 75 Q 7.88 4.61 0.00 2.21 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.78 0.00 0.00 0.00 0.00 0.00 2.22 2.22 0.00 76 K 8.24 3.53 0.00 1.47 1.65 0.00 1.45 0.00 0.00 1.43 0.00 0.00 2.79 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.03 0.29 7.81 77 V 7.63 3.67 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 0.79 0.00 0.00 0.87 0.00 0.00 78 L 7.94 4.10 0.00 1.96 1.89 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 79 S 7.92 4.37 0.00 3.90 3.85 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 0.00 0.00 0.00 0.00 *81 N 8.17 4.47 0.00 2.73 2.63 0.00 0.00 7.13 7.71 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 82 F 8.33 4.44 0.00 3.13 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 83 A 7.70 4.50 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 84 G 8.06 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 0.00 0.00 0.00 85 Q 8.18 4.45 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.84 6.67 0.00 0.00 0.00 0.00 0.00 2.31 2.53 0.00 86 L 7.44 4.74 0.00 1.55 1.52 0.84 0.90 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 87 E 8.92 4.05 0.00 1.94 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 2.31 2.24 0.00 88 K 7.61 4.52 0.00 1.65 1.63 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.27 1.39 7.81 89 P 0.00 4.46 0.00 2.02 1.87 0.00 3.69 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 90 V 8.03 3.93 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 0.53 0.00 0.00 0.80 0.00 0.00 91 D 8.28 4.48 0.00 2.59 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 92 V 7.93 3.80 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 0.43 0.00 0.00 0.82 0.00 0.00 93 Q 8.22 4.25 0.00 1.91 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.63 0.00 0.00 0.00 0.00 0.00 2.33 2.27 0.00 94 F 8.67 5.39 0.00 2.95 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 95 E 9.27 4.82 0.00 1.96 2.07 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 2.21 2.26 0.00 96 E 8.74 5.11 0.00 1.90 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 2.16 2.25 0.00 97 L 9.03 4.40 0.00 1.70 1.43 0.92 1.29 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 98 G 9.26 4.10 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 0.00 0.00 0.00 99 G 8.49 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 0.00 0.00 0.00 100 L 7.56 4.90 0.00 1.72 1.51 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 101 P 0.00 4.83 0.00 1.67 1.81 0.00 3.63 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.79 0.00 102 V 9.11 4.74 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 0.70 0.00 0.00 1.01 0.00 0.00 103 I 8.88 4.44 1.83 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.50 0.84 0.00 0.00 104 K 8.29 4.04 0.00 1.77 1.72 0.00 1.88 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.41 7.81 105 D 8.97 4.50 0.00 2.86 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 0.00 106 A 7.41 4.37 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 0.00 107 L 8.91 4.20 0.00 1.80 1.91 1.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 108 A 7.75 5.22 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 0.00 109 Q 9.47 4.90 0.00 1.91 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.70 0.00 0.00 0.00 0.00 0.00 2.40 2.28 0.00 110 I 8.64 4.91 1.88 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.66 0.97 0.00 0.00 111 S 9.00 4.96 0.00 3.72 3.70 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 0.00 112 C 8.85 5.21 0.00 1.81 2.36 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 0.00 113 Q 8.53 4.76 0.00 1.91 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.99 0.00 0.00 0.00 0.00 0.00 2.23 2.39 0.00 114 V 8.65 4.29 2.30 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 1.03 0.00 0.00 1.21 0.00 0.00 115 V 8.82 4.45 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 0.76 0.00 0.00 0.97 0.00 0.00 116 N 7.84 4.83 0.00 2.78 2.62 0.00 0.00 6.57 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 0.00 117 E 8.65 4.72 0.00 1.90 1.72 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 1.96 1.64 0.00 118 V 8.43 4.32 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 0.74 0.00 0.00 0.89 0.00 0.00 119 Q 8.69 4.37 0.00 2.05 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.75 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 120 A 9.35 4.40 1.21 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 0.00 0.00 0.00 121 G 8.29 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 0.00 0.00 0.00 122 D 8.81 4.53 0.00 2.85 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 0.00 123 H 8.13 5.34 0.00 3.19 3.16 0.00 5.75 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 T 8.99 4.89 4.10 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 0.52 0.00 0.00 125 L 8.85 4.83 0.00 1.47 1.58 0.90 0.96 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 0.00 126 F 9.22 5.07 0.00 2.84 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 0.00 127 I 8.71 4.77 1.94 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 1.21 0.75 0.96 0.00 0.00 128 G 9.63 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 0.00 0.00 0.00 0.00 129 E 9.14 4.95 0.00 2.02 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 2.24 2.42 0.00 130 V 8.53 4.22 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 0.82 0.00 0.00 0.97 0.00 0.00 131 T 8.97 4.51 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 1.23 0.00 0.00 132 D 7.76 4.90 0.00 2.54 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 0.00 133 I 8.25 4.99 1.88 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 1.25 0.61 0.93 0.00 0.00 134 K 9.25 4.68 0.00 1.80 1.58 0.00 1.46 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.44 7.81 135 I 8.49 5.06 1.88 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 1.42 0.80 0.92 0.00 0.00 136 T 8.65 4.69 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 1.25 0.00 0.00 137 E 8.44 4.50 0.00 1.96 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 2.23 2.25 0.00 138 Q 7.87 4.26 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.89 6.94 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 139 D 8.33 4.84 0.00 2.60 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 0.00 140 P 0.00 5.02 0.00 2.11 2.06 0.00 3.78 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 1.98 1.97 0.00 141 L 8.42 4.24 0.00 2.00 1.64 0.89 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 142 L 8.88 5.28 0.00 1.80 1.59 0.95 0.66 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 0.00 143 F 9.32 5.37 0.00 3.04 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 0.00 144 F 8.90 4.74 0.00 3.01 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 0.00 145 S 8.58 3.23 0.00 3.36 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 0.00 146 G 7.47 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 0.00 147 K 6.84 4.52 0.00 1.77 1.52 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.26 1.24 7.81 148 Y 8.28 5.09 0.00 2.98 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 0.00 149 H 9.61 5.12 0.00 3.08 3.17 0.00 5.55 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 Q 8.50 5.04 0.00 1.91 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.93 0.00 0.00 0.00 0.00 0.00 2.28 2.39 0.00 151 L 8.50 4.03 0.00 1.63 1.59 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 152 A 8.54 4.00 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 0.00 153 Q 8.60 4.24 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.87 6.60 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 * Residues marked with a * may have inaccurate shift predictions.