NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *8 Q 4.3549 8.3449 119.1209 54.4097 30.7066 175.4750 9 V 3.4311 8.2392 109.8928 62.8030 31.8862 174.7441 10 E 3.6028 7.8234 122.8506 57.1079 26.1375 174.8220 11 A 4.6684 8.1063 124.7416 50.4785 20.7739 176.6383 12 I 4.4547 7.7522 121.4454 59.0486 40.1563 175.9476 13 K 2.9953 7.9597 123.6356 58.2273 32.6101 176.6877 14 R 4.7343 8.3515 114.3505 53.4556 33.0813 175.6887 15 G 3.6361 7.1596 105.7468 45.6995 0.0000 170.7781 16 T 5.0154 7.6197 115.8315 61.6356 72.2891 173.7171 17 V 4.6077 8.6661 124.6892 61.3014 34.4187 174.1334 18 I 4.5513 8.6032 129.7614 60.1126 38.4887 174.6465 19 D 5.0535 8.2560 125.4534 52.3627 45.2306 174.2328 20 H 3.8735 8.3116 118.2326 57.0883 28.8720 175.0678 21 I 3.9422 7.5465 118.8684 60.0964 37.6347 175.8441 22 P 4.0824 0.0000 0.0000 63.4949 31.8520 175.6917 23 A 4.2058 7.8652 121.1320 53.8592 17.8769 178.9242 24 Q 3.4818 8.6639 115.6749 57.2786 27.8968 175.7255 25 I 4.1609 8.1533 118.6111 63.4068 37.0803 177.9380 26 G 3.9231 8.2785 107.1730 48.2041 0.0000 175.2790 27 F 4.1059 8.2206 122.2175 60.0372 39.4620 177.2867 28 K 3.7728 8.1686 117.9971 59.7054 31.9078 178.8639 29 L 4.1754 8.0850 118.9603 57.9192 41.3687 179.7076 30 L 3.9548 7.3330 118.4288 58.3553 41.3920 178.9387 31 S 4.0527 7.6107 115.2506 60.2730 62.4063 176.1829 32 L 3.5461 7.9418 123.9977 58.0476 41.6415 178.8818 33 F 4.3062 7.7609 113.1482 56.3401 39.4033 175.9707 34 K 3.8375 7.6951 119.6815 57.5513 29.7391 175.6586 35 L 4.2162 7.6809 117.9088 57.1852 42.3326 179.2276 36 T 4.1220 7.7247 106.9732 63.2212 69.5660 175.4981 37 E 4.3054 7.7890 123.1520 54.8188 27.5308 175.1191 38 T 4.4675 7.2320 113.3084 61.5049 70.5349 172.6287 39 D 4.7352 8.4136 123.4448 54.4777 41.9412 177.3363 40 Q 4.1856 7.6579 117.8878 55.0935 29.7084 175.5536 41 R 4.0800 8.3948 120.9496 56.7039 31.0927 175.2418 42 I 5.1164 8.3725 126.4978 59.6944 40.7046 174.9987 43 T 4.6914 8.8578 114.9967 60.1576 71.7803 172.7936 44 I 5.0285 8.6364 125.7654 59.2992 40.8749 175.0087 45 G 4.2259 8.9143 111.6252 44.4697 0.0000 171.5636 46 L 5.1476 8.4252 124.0772 53.3122 45.1451 175.9648 47 N 4.1996 8.7962 117.7638 54.1641 36.9147 174.9208 48 L 4.3439 7.9872 117.3073 53.9858 43.1576 175.7078 49 P 4.5401 0.0000 0.0000 63.2572 32.1370 177.1375 50 S 4.5480 8.4871 118.3386 56.4931 63.5753 174.3905 51 G 3.6903 8.5472 111.8382 48.4137 0.0000 172.1736 52 E 4.0512 8.1649 119.3220 59.2513 29.7392 176.8270 53 M 4.3714 8.3312 116.1117 54.0679 34.4489 175.5395 54 G 3.7884 9.6074 109.7802 45.0892 0.0000 173.8743 55 R 4.8623 7.8352 117.4360 54.8556 33.9911 174.1203 56 K 4.7913 9.0638 123.6661 56.3208 36.9578 173.6222 57 D 5.5135 8.7626 119.1592 52.8496 45.5981 175.1602 58 L 4.7145 8.2136 117.5872 54.6785 46.1646 173.2421 59 I 4.9748 8.4449 127.3391 59.4381 40.3815 174.6612 60 K 4.8758 9.3951 125.3230 54.6378 35.2949 175.1286 61 I 4.8826 8.7252 126.1011 59.4363 39.7666 174.5769 62 E 4.5593 8.7240 125.6833 55.2679 32.1162 175.9422 63 N 4.0978 8.4689 117.0954 54.2564 36.4099 174.4220 64 T 4.4412 6.6671 103.7753 59.7376 71.7068 172.6670 65 F 5.0230 8.5875 122.1089 54.5746 41.1465 174.6943 66 L 4.4859 8.5506 128.8449 53.9007 41.5111 175.3354 67 S 4.8580 8.9109 122.0093 56.6515 68.6406 178.9040 68 E 3.7084 9.0402 123.4141 57.2669 28.6403 176.5521 69 D 4.4027 9.4513 128.4672 58.0223 37.8574 178.2872 70 Q 3.9995 8.2723 120.0575 58.1565 28.3284 179.3868 71 V 3.6505 7.7553 119.2604 66.0810 31.5233 177.9358 72 D 4.5833 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 4.0006 7.4982 118.7372 57.2063 40.2891 179.2763 75 A 4.1951 7.8010 121.2299 54.9345 17.9899 179.2818 76 L 3.9507 7.6492 118.2014 57.3645 42.0688 177.7618 77 Y 4.4555 7.1097 115.0728 58.4337 40.2683 176.0445 78 A 4.8078 8.3403 121.2706 49.9694 18.7379 174.9500 79 P 4.4463 0.0000 0.0000 63.8119 32.5676 177.8116 80 Q 4.6062 7.4814 115.8109 54.1639 27.8200 174.1371 81 A 4.9292 7.7533 122.7494 50.8222 22.5873 176.1390 82 T 4.5962 8.2052 111.0699 59.8462 71.2232 173.8111 83 V 4.0177 8.8502 127.4265 62.4118 33.3841 174.4428 84 N 5.6271 8.7105 122.9182 51.5935 42.5357 174.1607 85 R 5.1776 9.0172 120.3148 55.3353 32.6953 175.2612 86 I 5.2517 8.8768 119.1576 59.9789 41.3734 175.5577 87 D 4.8520 8.7443 123.3254 52.7851 41.0894 175.3093 88 N 4.2774 8.4672 116.3527 55.1679 40.6560 173.9427 89 Y 4.0896 8.0668 122.5811 58.4753 35.6834 172.8356 90 E 4.6586 8.5321 122.2811 55.0049 33.0991 174.8326 91 V 3.8487 8.4389 122.7340 63.5129 31.4285 175.8310 92 V 4.2633 8.4829 126.9593 62.4819 33.1672 176.4778 93 G 4.2208 7.8100 106.4743 45.0875 0.0000 172.2304 94 K 5.1535 8.6833 122.9575 54.6845 34.8373 176.1581 95 S 4.5561 9.2117 119.6945 57.0489 66.8700 173.5898 96 R 4.7566 8.6857 125.7471 55.0220 31.1208 173.9155 97 P 4.4985 0.0000 0.0000 62.8309 31.9182 175.8714 98 S 4.7258 8.4657 119.5354 56.3479 64.7601 173.5282 99 L 4.0942 8.2393 125.2603 54.6038 42.4146 175.3763 100 P 4.7226 0.0000 0.0000 61.9489 33.6672 174.6662 101 E 4.4730 8.5561 114.0600 57.4174 31.1467 175.8265 102 R 5.0874 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 5.1646 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 7.2456 132.1302 54.1628 43.7309 173.6005 108 V 4.5470 7.5954 121.1883 60.7739 34.1425 174.8302 109 C 4.7025 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 4.5688 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 5.1034 8.1873 115.0491 57.5225 65.7599 172.7289 125 F 5.4733 9.3595 125.3397 55.6352 42.6546 173.8691 126 A 4.9038 9.0556 125.0258 51.0247 20.3941 176.2882 127 V 4.6626 8.1859 122.5379 61.6636 33.5206 175.7177 128 R 4.3495 8.7829 127.6284 55.2239 33.3379 174.0783 129 K 4.4677 8.8386 129.1977 56.1292 31.2465 175.1220 130 R 4.1433 9.2515 125.8620 54.2275 29.1054 174.5925 131 A 3.9737 7.2860 125.2870 54.4480 17.1039 175.4600 132 N 4.3210 8.6102 122.0143 54.7097 36.1728 174.0857 133 D 4.5090 8.2183 116.5712 52.8766 42.5689 173.4637 134 I 4.9273 8.1574 119.0975 59.6630 39.4585 175.3142 135 A 4.9331 9.3180 129.6797 51.0046 21.0489 175.9846 136 L 5.2024 9.0569 120.0764 53.0057 45.1329 175.4732 137 K 4.9816 9.1919 126.7216 54.8146 34.2318 175.1769 138 C 4.1374 9.0024 128.6073 58.9725 32.2225 174.3635 139 K 3.6540 8.3056 124.5219 59.3783 32.9659 177.1452 140 Y 4.2850 7.8659 118.7368 59.4873 39.0772 176.9761 141 C 3.7973 8.1977 118.5725 63.0791 28.4375 175.7358 142 E 4.3440 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 5.0220 8.2034 127.8344 54.6888 31.0041 174.7268 145 F 5.1292 9.2125 124.8008 55.3687 43.9561 174.5208 146 S 4.5729 8.7289 115.1289 58.1683 63.0201 174.9856 147 H 4.2296 8.9911 122.7750 58.5257 28.0566 177.8762 148 N 4.1696 7.4270 119.9523 56.2097 38.4850 177.4251 149 V 3.5663 7.7217 119.7237 65.8785 31.3371 178.2331 150 V 3.4993 7.4348 117.5185 65.6462 31.2779 177.9011 151 L 3.9978 8.0269 118.0520 57.3297 41.4808 178.8761 152 A 4.0237 7.6515 120.4417 55.4494 18.3984 176.8271 153 N 4.6393 7.6404 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 *8 Q 8.34 4.35 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.87 0.00 0.00 0.00 0.00 0.00 2.18 1.96 0.00 9 V 8.24 3.43 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 0.84 0.00 0.00 0.94 0.00 0.00 10 E 7.82 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 4.45 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 0.67 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 7.87 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 8.08 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 4.22 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 1.16 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 8.39 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 1.20 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 8.91 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 0.93 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 1.99 2.01 0.00 50 S 8.49 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 8.55 3.69 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 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 2.34 0.00 53 M 8.33 4.37 0.00 1.94 1.94 0.00 0.00 0.00 0.00 0.00 2.11 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 9.61 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 7.84 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 0.99 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 8.44 4.97 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 3.11 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 1.24 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 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 0.96 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 1.81 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.