NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3198 8.3049 120.3504 55.5644 33.2177 178.3930 2 T 4.3749 8.6936 118.6509 61.4382 69.7000 172.6507 3 H 4.6650 9.0741 130.7663 56.4341 30.8340 173.1740 4 D 3.9403 7.9594 120.6744 53.9838 41.1270 180.7646 5 N 3.5476 7.0003 114.1553 54.3031 42.0789 175.8687 6 K 3.9450 8.0383 120.0637 58.9903 33.7186 178.0014 7 L 3.6420 8.1945 116.9188 55.3514 40.0551 174.4781 *8 Q 4.2639 8.1887 119.4871 54.8056 26.2889 178.4667 9 V 3.6111 8.4193 111.6436 63.2609 31.8898 178.1412 10 E 3.6035 7.4534 120.7117 57.1083 25.2067 175.1172 11 A 4.6693 8.1074 124.7417 50.4790 20.7741 176.6383 12 I 4.4552 7.7532 121.4455 59.0489 40.1564 175.9476 13 K 2.9957 7.9603 123.6357 58.2275 32.6101 176.6877 14 R 4.7346 8.3519 114.3506 53.4557 33.0814 175.6887 15 G 3.6364 7.1600 105.7469 45.6997 0.0000 170.7781 16 T 5.0157 7.6201 115.8316 61.6357 72.2892 173.7171 17 V 4.6082 8.6666 124.6893 61.3016 34.4188 174.1334 18 I 4.5516 8.6037 129.7614 60.1128 38.4888 174.6465 19 D 5.0538 8.2562 125.4535 52.3628 45.2306 174.2328 20 H 3.8732 8.3116 118.2326 57.0882 28.8719 175.0678 21 I 3.9420 7.5464 118.8684 60.0963 37.6347 175.8441 22 P 4.0818 0.0000 0.0000 63.4947 31.8519 175.6917 23 A 4.2057 7.8649 121.1319 53.8591 17.8768 178.9242 24 Q 3.4817 8.6638 115.6749 57.2785 27.8968 175.7255 25 I 4.1608 8.1532 118.6111 63.4068 37.0803 177.9380 26 G 3.9231 8.2785 107.1730 48.2042 0.0000 175.2790 27 F 4.1061 8.2207 122.2175 60.0373 39.4621 177.2867 28 K 3.7728 8.1686 117.9971 59.7055 31.9078 178.8639 29 L 4.1754 8.0850 118.9603 57.9192 41.3687 179.7076 30 L 3.9549 7.3331 118.4288 58.3554 41.3920 178.9387 31 S 4.0528 7.6109 115.2506 60.2730 62.4063 176.1829 32 L 3.5462 7.9419 123.9977 58.0477 41.6415 178.8818 33 F 4.3062 7.7610 113.1482 56.3401 39.4033 175.9707 34 K 3.8376 7.6952 119.6815 57.5514 29.7391 175.6586 35 L 4.2163 7.6811 117.9088 57.1853 42.3326 179.2276 36 T 4.1222 7.7249 106.9732 63.2213 69.5660 175.4981 37 E 4.3055 7.7892 123.1521 54.8188 27.5309 175.1191 38 T 4.4676 7.2322 113.3084 61.5050 70.5349 172.6287 39 D 4.7354 8.4138 123.4448 54.4778 41.9413 177.3363 40 Q 4.1858 7.6582 117.8878 55.0936 29.7084 175.5536 41 R 4.0803 8.3952 120.9496 56.7040 31.0928 175.2418 42 I 5.1168 8.3729 126.4979 59.6945 40.7047 174.9987 43 T 4.6919 8.8584 114.9968 60.1579 71.7804 172.7936 44 I 5.0289 8.6371 125.7655 59.2995 40.8750 175.0087 45 G 4.2267 8.9150 111.6253 44.4700 0.0000 171.5636 46 L 5.1480 8.4261 124.0773 53.3124 45.1451 175.9648 47 N 4.1997 8.7965 117.7638 54.1642 36.9147 174.9208 48 L 4.3449 7.9877 117.3074 53.9862 43.1577 175.7078 49 P 4.5394 0.0000 0.0000 63.2570 32.1371 177.1375 50 S 4.5454 8.4841 118.3382 56.4918 63.5749 174.3905 51 G 3.6803 8.5380 111.8369 48.4091 0.0000 172.1736 52 E 4.0462 8.1559 119.3207 59.2489 29.7385 176.8270 53 M 4.3689 8.3266 116.1111 54.0667 34.4485 175.5395 54 G 3.7862 9.6031 109.7797 45.0881 0.0000 173.8743 55 R 4.8611 7.8333 117.4357 54.8550 33.9909 174.1203 56 K 4.7909 9.0632 123.6660 56.3206 36.9578 173.6222 57 D 5.5138 8.7625 119.1592 52.8497 45.5982 175.1602 58 L 4.7148 8.2141 117.5872 54.6787 46.1647 173.2421 59 I 4.9752 8.4454 127.3392 59.4383 40.3816 174.6612 60 K 4.8762 9.3958 125.3231 54.6380 35.2950 175.1286 61 I 4.8829 8.7257 126.1011 59.4365 39.7667 174.5769 62 E 4.5596 8.7244 125.6834 55.2680 32.1162 175.9422 63 N 4.0980 8.4692 117.0955 54.2565 36.4100 174.4220 64 T 4.4413 6.6674 103.7754 59.7377 71.7068 172.6670 65 F 5.0232 8.5877 122.1090 54.5747 41.1465 174.6943 66 L 4.4861 8.5508 128.8449 53.9007 41.5111 175.3354 67 S 4.8581 8.9111 122.0093 56.6515 68.6407 178.9040 68 E 3.7084 9.0403 123.4142 57.2670 28.6403 176.5521 69 D 4.4028 9.4513 128.4672 58.0223 37.8574 178.2872 70 Q 3.9995 8.2724 120.0575 58.1565 28.3284 179.3868 71 V 3.6505 7.7553 119.2604 66.0810 31.5233 177.9358 72 D 4.5832 7.8748 119.2243 56.3288 40.4150 178.6219 73 Q 4.0988 7.4601 117.3633 59.1590 28.8163 178.9762 74 L 4.0005 7.4981 118.7372 57.2063 40.2891 179.2763 75 A 4.1950 7.8009 121.2299 54.9344 17.9899 179.2818 76 L 3.9506 7.6491 118.2014 57.3644 42.0688 177.7618 77 Y 4.4554 7.1096 115.0728 58.4336 40.2683 176.0445 78 A 4.8076 8.3401 121.2705 49.9693 18.7378 174.9500 79 P 4.4461 0.0000 0.0000 63.8118 32.5676 177.8116 80 Q 4.6060 7.4811 115.8108 54.1638 27.8199 174.1371 81 A 4.9291 7.7531 122.7494 50.8221 22.5873 176.1390 82 T 4.5962 8.2052 111.0699 59.8462 71.2232 173.8111 83 V 4.0179 8.8503 127.4265 62.4119 33.3841 174.4428 84 N 5.6273 8.7109 122.9182 51.5937 42.5358 174.1607 85 R 5.1778 9.0175 120.3149 55.3355 32.6953 175.2612 86 I 5.2521 8.8772 119.1577 59.9790 41.3734 175.5577 87 D 4.8522 8.7447 123.3255 52.7852 41.0894 175.3093 88 N 4.2777 8.4677 116.3528 55.1681 40.6560 173.9427 89 Y 4.0901 8.0673 122.5812 58.4755 35.6835 172.8356 90 E 4.6592 8.5326 122.2811 55.0052 33.0992 174.8326 91 V 3.8491 8.4396 122.7341 63.5131 31.4286 175.8310 92 V 4.2636 8.4834 126.9594 62.4820 33.1672 176.4778 93 G 4.2210 7.8104 106.4744 45.0876 0.0000 172.2304 94 K 5.1537 8.6836 122.9575 54.6846 34.8374 176.1581 95 S 4.5561 9.2119 119.6946 57.0489 66.8700 173.5898 96 R 4.7565 8.6857 125.7471 55.0220 31.1208 173.9155 97 P 4.4984 0.0000 0.0000 62.8309 31.9181 175.8714 98 S 4.7257 8.4656 119.5354 56.3478 64.7601 173.5282 99 L 4.0941 8.2391 125.2603 54.6038 42.4146 175.3763 100 P 4.7226 0.0000 0.0000 61.9488 33.6672 174.6662 101 E 4.4730 8.5561 114.0600 57.4174 31.1467 175.8265 102 R 5.0873 7.9194 118.9568 54.5962 33.9927 174.4663 103 I 4.5889 8.9678 125.2185 59.8906 39.8904 174.5664 104 D 5.1645 8.8548 126.7238 54.4720 42.1753 176.5280 105 N 4.6289 9.3716 123.9947 53.8663 37.7217 175.4808 106 V 4.0968 8.3157 119.8808 62.5645 31.1562 174.1952 107 L 5.1361 7.2455 132.1302 54.1628 43.7309 173.6005 108 V 4.5470 7.5954 121.1883 60.7739 34.1425 174.8302 109 C 4.7024 8.7485 126.1963 58.7465 31.8469 172.6306 110 P 3.9159 0.0000 0.0000 65.1294 31.2313 175.8392 111 N 4.5687 7.6117 117.1718 53.0883 38.3762 175.6368 112 S 4.3133 8.6597 121.6225 60.8299 63.4272 174.5600 113 N 4.6025 8.0358 117.5185 53.7937 39.1802 174.4238 114 C 4.2674 7.9142 119.2760 59.8148 32.0088 174.1770 115 I 3.7855 8.3438 126.6214 63.1634 37.8686 177.6676 116 S 3.8674 7.7986 113.8651 61.5607 62.8461 175.3690 117 H 4.3616 7.8632 117.3084 57.9783 28.4503 175.9682 118 A 4.5195 7.5948 119.4482 51.8826 19.8754 176.2028 119 E 4.6948 7.6246 114.5141 53.3412 32.6152 174.9760 120 P 4.6129 0.0000 0.0000 63.0889 29.6904 176.6303 121 V 4.4328 7.2270 116.2088 60.5579 34.3187 175.3115 122 S 4.7900 8.5191 118.7018 57.1975 63.9977 174.3657 123 S 4.4556 8.7272 119.3979 59.1952 64.4373 173.3039 124 S 5.1033 8.1873 115.0491 57.5225 65.7599 172.7289 125 F 5.4732 9.3595 125.3397 55.6352 42.6546 173.8691 126 A 4.9037 9.0555 125.0258 51.0247 20.3941 176.2882 127 V 4.6625 8.1858 122.5379 61.6635 33.5206 175.7177 128 R 4.3494 8.7828 127.6284 55.2238 33.3378 174.0783 129 K 4.4676 8.8384 129.1977 56.1291 31.2465 175.1220 130 R 4.1431 9.2513 125.8620 54.2275 29.1053 174.5925 131 A 3.9736 7.2858 125.2869 54.4480 17.1039 175.4600 132 N 4.3208 8.6100 122.0143 54.7097 36.1727 174.0857 133 D 4.5089 8.2181 116.5711 52.8765 42.5689 173.4637 134 I 4.9272 8.1572 119.0975 59.6630 39.4585 175.3142 135 A 4.9330 9.3179 129.6797 51.0045 21.0489 175.9846 136 L 5.2023 9.0568 120.0764 53.0057 45.1329 175.4732 137 K 4.9816 9.1918 126.7216 54.8146 34.2318 175.1769 138 C 4.1373 9.0024 128.6073 58.9725 32.2225 174.3635 139 K 3.6540 8.3055 124.5219 59.3783 32.9659 177.1452 140 Y 4.2849 7.8659 118.7368 59.4873 39.0772 176.9761 141 C 3.7973 8.1976 118.5725 63.0791 28.4375 175.7358 142 E 4.3439 7.3643 113.0431 57.3432 26.9824 173.7515 143 K 4.2960 7.8395 119.8422 55.0852 34.1581 174.4126 144 E 5.0219 8.2034 127.8344 54.6888 31.0041 174.7268 145 F 5.1292 9.2124 124.8008 55.3686 43.9561 174.5208 146 S 4.5728 8.7287 115.1289 58.1682 63.0201 174.9856 147 H 4.2295 8.9910 122.7750 58.5256 28.0566 177.8762 148 N 4.1695 7.4268 119.9522 56.2096 38.4850 177.4251 149 V 3.5662 7.7215 119.7237 65.8784 31.3371 178.2331 150 V 3.4992 7.4346 117.5185 65.6462 31.2779 177.9011 151 L 3.9977 8.0267 118.0520 57.3296 41.4808 178.8761 152 A 4.0236 7.6514 120.4417 55.4494 18.3984 176.8271 153 N 4.6393 7.6403 118.3884 54.4523 41.1146 173.8116 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 8.30 4.32 0.00 1.99 1.15 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.57 0.00 2 T 8.69 4.37 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 1.20 0.00 0.00 3 H 9.07 4.66 0.00 3.23 3.18 0.00 5.90 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 D 7.96 3.94 0.00 2.95 2.61 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 5 N 7.00 3.55 0.00 2.92 3.18 0.00 0.00 6.03 7.13 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 6 K 8.04 3.95 0.00 1.98 2.11 0.00 1.62 0.00 0.00 1.83 0.00 0.00 3.15 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.50 1.63 7.81 7 L 8.19 3.64 0.00 1.69 1.85 0.92 1.33 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 *8 Q 8.19 4.26 0.00 2.15 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.53 6.92 0.00 0.00 0.00 0.00 0.00 2.08 1.72 0.00 9 V 8.42 3.61 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 0.88 0.00 0.00 0.97 0.00 0.00 10 E 7.45 3.60 0.00 1.99 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 0.00 2.29 2.41 0.00 11 A 8.11 4.67 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.75 4.46 1.74 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.68 0.82 0.00 0.00 13 K 7.96 3.00 0.00 1.47 1.60 0.00 1.80 0.00 0.00 2.01 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.18 7.81 14 R 8.35 4.73 0.00 2.05 2.25 0.00 3.29 0.00 0.00 3.46 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.71 0.00 15 G 7.16 3.64 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 0.00 16 T 7.62 5.02 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 1.24 0.00 0.00 17 V 8.67 4.61 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 0.98 0.00 0.00 0.91 0.00 0.00 18 I 8.60 4.55 1.85 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 1.07 0.41 0.88 0.00 0.00 19 D 8.26 5.05 0.00 2.68 2.47 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 20 H 8.31 3.87 0.00 3.28 3.28 0.00 5.82 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 I 7.55 3.94 1.95 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 1.28 0.64 0.95 0.00 0.00 22 P 0.00 4.08 0.00 2.05 2.12 0.00 3.71 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.39 0.00 23 A 7.86 4.21 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 24 Q 8.66 3.48 0.00 2.19 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.05 0.00 0.00 0.00 0.00 0.00 2.30 2.45 0.00 25 I 8.15 4.16 1.92 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.06 1.06 0.00 0.00 26 G 8.28 3.92 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 0.00 0.00 0.00 27 F 8.22 4.11 0.00 3.16 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 28 K 8.17 3.77 0.00 2.07 1.71 0.00 1.85 0.00 0.00 1.82 0.00 0.00 3.01 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.55 1.76 7.81 29 L 8.09 4.18 0.00 1.68 1.80 0.89 0.89 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 30 L 7.33 3.95 0.00 1.43 1.45 0.87 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 31 S 7.61 4.05 0.00 3.76 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 32 L 7.94 3.55 0.00 0.98 0.72 0.31 0.64 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 33 F 7.76 4.31 0.00 3.23 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 34 K 7.70 3.84 0.00 1.83 1.89 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.41 7.81 35 L 7.68 4.22 0.00 1.55 1.70 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.72 4.12 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 1.16 0.00 0.00 37 E 7.79 4.31 0.00 1.97 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 2.30 2.27 0.00 38 T 7.23 4.47 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 1.28 0.00 0.00 39 D 8.41 4.74 0.00 2.68 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 7.66 4.19 0.00 1.98 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.92 0.00 0.00 0.00 0.00 0.00 2.43 2.40 0.00 41 R 8.40 4.08 0.00 1.87 1.77 0.00 3.10 0.00 0.00 3.33 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 42 I 8.37 5.12 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 1.36 0.94 0.97 0.00 0.00 43 T 8.86 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 1.21 0.00 0.00 44 I 8.64 5.03 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.69 0.96 0.00 0.00 45 G 8.92 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 0.00 0.00 0.00 0.00 46 L 8.43 5.15 0.00 1.51 1.56 0.95 1.18 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 47 N 8.80 4.20 0.00 2.89 2.89 0.00 0.00 7.01 7.14 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 48 L 7.99 4.34 0.00 1.78 1.60 0.94 1.25 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 49 P 0.00 4.54 0.00 2.08 2.06 0.00 3.74 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 2.00 2.01 0.00 50 S 8.48 4.55 0.00 3.76 3.78 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 51 G 8.54 3.68 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 0.00 0.00 0.00 52 E 8.16 4.05 0.00 1.93 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 2.28 2.33 0.00 53 M 8.33 4.37 0.00 1.94 1.94 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 2.22 2.46 0.00 54 G 9.60 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 R 7.83 4.86 0.00 1.81 1.77 0.00 3.24 0.00 0.00 3.29 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 56 K 9.06 4.79 0.00 1.99 1.94 0.00 1.45 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.45 7.81 57 D 8.76 5.51 0.00 2.57 2.60 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 0.00 0.00 0.00 0.00 58 L 8.21 4.71 0.00 1.66 1.47 1.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.45 4.98 1.85 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 1.23 0.54 0.89 0.00 0.00 60 K 9.40 4.88 0.00 1.69 1.64 0.00 1.59 0.00 0.00 1.63 0.00 0.00 3.12 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.36 7.81 61 I 8.73 4.88 1.77 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 1.24 0.72 0.85 0.00 0.00 62 E 8.72 4.56 0.00 2.04 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 2.29 2.22 0.00 63 N 8.47 4.10 0.00 2.80 2.90 0.00 0.00 6.70 8.20 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 64 T 6.67 4.44 4.14 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 1.15 0.00 0.00 65 F 8.59 5.02 0.00 3.04 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 66 L 8.55 4.49 0.00 1.56 1.60 0.89 0.84 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 67 S 8.91 4.86 0.00 3.87 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 68 E 9.04 3.71 0.00 2.16 1.38 0.00 0.00 0.00 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 2.28 0.00 69 D 9.45 4.40 0.00 2.88 2.99 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 70 Q 8.27 4.00 0.00 2.32 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.86 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 71 V 7.76 3.65 2.23 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 1.01 0.00 0.00 0.95 0.00 0.00 72 D 7.87 4.58 0.00 2.91 2.81 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 73 Q 7.46 4.10 0.00 2.04 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.80 0.00 0.00 0.00 0.00 0.00 2.64 2.64 0.00 74 L 7.50 4.00 0.00 1.70 1.61 0.80 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 75 A 7.80 4.20 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 76 L 7.65 3.95 0.00 1.47 1.09 0.80 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 77 Y 7.11 4.46 0.00 3.41 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 78 A 8.34 4.81 1.23 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 0.00 0.00 0.00 79 P 0.00 4.45 0.00 2.18 2.37 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 1.99 1.94 0.00 80 Q 7.48 4.61 0.00 2.29 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.64 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 81 A 7.75 4.93 1.23 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 0.00 0.00 0.00 82 T 8.21 4.60 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 1.23 0.00 0.00 83 V 8.85 4.02 2.16 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 0.80 0.00 0.00 0.90 0.00 0.00 84 N 8.71 5.63 0.00 2.61 2.66 0.00 0.00 6.70 9.01 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 85 R 9.02 5.18 0.00 2.04 2.32 0.00 2.98 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.75 0.00 86 I 8.88 5.25 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 0.92 1.09 1.03 0.00 0.00 87 D 8.74 4.85 0.00 2.75 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 88 N 8.47 4.28 0.00 2.74 2.74 0.00 0.00 7.39 7.56 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 89 Y 8.07 4.09 0.00 3.17 3.38 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.53 4.66 0.00 2.01 1.76 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 2.16 2.23 0.00 91 V 8.44 3.85 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 0.89 0.00 0.00 0.95 0.00 0.00 92 V 8.48 4.26 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 0.69 0.00 0.00 0.95 0.00 0.00 93 G 7.81 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 94 K 8.68 5.15 0.00 1.64 1.72 0.00 1.72 0.00 0.00 1.78 0.00 0.00 2.73 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.60 1.44 7.81 95 S 9.21 4.56 0.00 3.66 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 96 R 8.69 4.76 0.00 1.80 1.82 0.00 3.29 0.00 0.00 3.49 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 97 P 0.00 4.50 0.00 2.10 2.21 0.00 4.08 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 1.98 1.98 0.00 98 S 8.47 4.73 0.00 3.90 3.80 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 99 L 8.24 4.09 0.00 1.57 1.56 0.88 0.91 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 0.00 100 P 0.00 4.72 0.00 2.25 2.10 0.00 3.82 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 101 E 8.56 4.47 0.00 2.12 2.25 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 2.31 2.37 0.00 102 R 7.92 5.09 0.00 1.80 1.81 0.00 3.16 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 103 I 8.97 4.59 2.00 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 1.32 0.98 1.05 0.00 0.00 104 D 8.85 5.16 0.00 2.61 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 0.00 105 N 9.37 4.63 0.00 2.87 2.99 0.00 0.00 6.76 7.72 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 0.00 106 V 8.32 4.10 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 0.47 0.00 0.00 0.62 0.00 0.00 107 L 7.25 5.14 0.00 1.93 1.52 0.58 0.82 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 0.00 108 V 7.60 4.55 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 0.85 0.00 0.00 0.96 0.00 0.00 109 C 8.75 4.70 0.00 3.11 2.82 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 0.00 110 P 0.00 3.92 0.00 1.08 1.78 0.00 2.88 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 1.21 1.75 0.00 111 N 7.61 4.57 0.00 3.28 2.87 0.00 0.00 6.80 7.73 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 0.00 112 S 8.66 4.31 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 0.00 113 N 8.04 4.60 0.00 2.70 2.90 0.00 0.00 7.13 8.91 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 0.00 114 C 7.91 4.27 0.00 3.08 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 0.00 115 I 8.34 3.79 1.82 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 1.40 0.93 0.72 0.00 0.00 116 S 7.80 3.87 0.00 3.92 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 0.00 117 H 7.86 4.36 0.00 3.26 3.35 0.00 5.65 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 A 7.59 4.52 1.24 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 0.00 0.00 119 E 7.62 4.69 0.00 1.80 1.76 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 2.24 2.09 0.00 120 P 0.00 4.61 0.00 2.16 2.10 0.00 3.66 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.94 0.00 121 V 7.23 4.43 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 0.63 0.00 0.00 0.72 0.00 0.00 122 S 8.52 4.79 0.00 3.83 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 0.00 123 S 8.73 4.46 0.00 4.07 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 0.00 124 S 8.19 5.10 0.00 3.95 3.57 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 0.00 125 F 9.36 5.47 0.00 3.02 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 A 9.06 4.90 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 0.00 127 V 8.19 4.66 2.23 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 0.76 0.00 0.00 0.98 0.00 0.00 128 R 8.78 4.35 0.00 1.90 1.74 0.00 3.15 0.00 0.00 3.10 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 129 K 8.84 4.47 0.00 1.80 1.73 0.00 1.82 0.00 0.00 1.62 0.00 0.00 2.65 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.36 7.81 130 R 9.25 4.14 0.00 1.86 1.82 0.00 3.34 0.00 0.00 3.17 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.70 0.00 131 A 7.29 3.97 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 0.00 132 N 8.61 4.32 0.00 2.81 3.20 0.00 0.00 7.00 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 0.00 133 D 8.22 4.51 0.00 2.89 2.81 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 0.00 134 I 8.16 4.93 1.66 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.58 0.88 0.00 0.00 135 A 9.32 4.93 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 0.00 136 L 9.06 5.20 0.00 1.61 1.65 0.69 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 137 K 9.19 4.98 0.00 1.85 1.71 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.78 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.34 7.81 138 C 9.00 4.14 0.00 3.04 2.81 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 0.00 139 K 8.31 3.65 0.00 1.52 1.82 0.00 0.84 0.00 0.00 1.37 0.00 0.00 2.80 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.98 0.21 7.81 140 Y 7.87 4.28 0.00 3.00 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 C 8.20 3.80 0.00 3.06 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 0.00 142 E 7.36 4.34 0.00 2.17 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 2.17 2.15 0.00 143 K 7.84 4.30 0.00 1.92 1.26 0.00 1.56 0.00 0.00 1.78 0.00 0.00 2.89 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.34 1.26 7.81 144 E 8.20 5.02 0.00 1.92 1.69 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 2.19 2.32 0.00 145 F 9.21 5.13 0.00 2.97 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 S 8.73 4.57 0.00 4.01 3.76 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 0.00 147 H 8.99 4.23 0.00 3.31 3.61 0.00 5.32 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 N 7.43 4.17 0.00 2.61 2.83 0.00 0.00 6.46 7.53 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 0.00 149 V 7.72 3.57 2.22 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 0.95 0.00 0.00 0.96 0.00 0.00 150 V 7.43 3.50 1.85 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 0.60 0.00 0.00 0.76 0.00 0.00 151 L 8.03 4.00 0.00 1.78 1.69 1.09 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 152 A 7.65 4.02 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 0.00 153 N 7.64 4.64 0.00 2.76 3.00 0.00 0.00 7.00 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 * Residues marked with a * may have inaccurate shift predictions.