NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1E H 4.7539 8.4293 117.8439 55.4882 30.1146 172.0508 1F H 4.4603 8.7359 116.7983 55.1090 28.9076 173.5479 1G F 4.9841 9.2142 120.7333 57.8556 40.9953 175.4146 2 N 4.5572 8.5763 117.1389 52.5643 38.9549 174.4517 3 L 4.8682 8.1518 123.0452 52.1673 44.3996 174.3162 4 P 4.6912 0.0000 0.0000 60.3307 33.1764 173.5989 5 P 4.2354 0.0000 0.0000 62.4248 32.0481 175.6680 6 G 2.9601 8.5621 109.6822 45.0329 0.0000 173.3925 7 N 3.9983 8.3273 115.4403 54.0239 35.8869 173.7672 8 Y 4.9746 7.5043 111.2671 57.6124 39.8124 177.2434 9 K 4.2591 8.0984 120.3786 57.8230 32.7178 177.0358 10 K 4.7481 7.6412 115.9404 53.2611 35.3050 173.7807 11 P 4.6849 0.0000 0.0000 63.0863 32.3837 175.2751 12 K 4.9573 8.9723 120.2672 54.8338 37.1474 174.5245 13 L 5.0630 8.9124 120.5393 53.2658 44.6419 176.5331 14 L 4.9118 8.7235 123.7688 53.8203 42.4797 174.2723 15 Y 4.4650 8.7976 126.3888 56.8880 40.2447 174.0101 16 C 4.2044 7.8139 127.0748 57.5745 33.2957 174.7521 17 S 3.9352 7.5415 119.1816 61.2409 62.4661 175.8107 18 N 4.2471 7.4890 116.2076 54.4129 38.5453 175.8795 20 G 4.3282 7.5100 106.4949 42.9943 0.0000 172.6855 21 H 4.9610 7.4562 115.5960 53.7291 32.2892 173.2294 22 F 5.2548 8.8388 119.3696 55.8846 41.5794 174.8613 23 L 4.6354 8.3842 124.5060 54.8084 42.8828 176.0064 24 R 4.8857 9.0229 126.0096 54.5672 33.4788 174.0210 25 I 4.7370 8.1367 125.9238 59.6706 39.7709 175.1994 26 L 4.4634 8.5105 127.5338 52.7783 43.0508 176.4743 27 P 4.4522 0.0000 0.0000 65.6079 31.3719 177.0337 28 D 4.6173 8.1332 115.3666 52.7546 39.8167 175.9954 29 G 3.7989 8.3970 106.7912 47.7331 0.0000 174.4004 30 T 4.6670 7.6830 114.6130 61.4518 71.7821 174.6991 31 V 5.4166 8.4227 125.9090 60.5324 34.2917 174.3150 32 D 4.3866 7.8138 123.5284 53.7117 42.3412 174.6728 33 G 4.9979 9.3144 106.1624 44.8685 0.0000 173.2074 34 T 4.9253 8.2683 114.7521 60.4651 70.7182 174.5486 35 R 4.2278 8.9307 125.9124 56.8482 30.7310 175.9545 36 D 4.6021 8.0419 119.1630 53.2545 40.6548 176.6356 37 R 3.5707 8.6680 127.4596 57.8184 30.3748 176.6911 38 S 4.5946 8.1329 111.3266 58.4358 63.1968 173.9065 39 D 4.4397 7.4260 120.0199 55.0345 41.3359 175.7056 40 Q 4.4569 8.5199 123.6938 56.2973 29.1265 175.1088 41 H 4.9709 8.5265 114.0501 56.1024 29.8042 174.7183 42 I 4.4631 7.7809 112.1363 60.7901 38.9219 175.2778 43 Q 4.2024 7.9726 121.2055 55.9850 29.0274 175.4238 44 L 5.0312 8.8882 123.5738 52.8063 46.2749 175.2029 45 Q 4.8634 8.8658 121.7503 54.4291 31.8743 174.0168 46 L 5.2559 8.7158 125.9298 53.5262 43.8208 176.0082 47 S 4.7438 8.7993 117.4634 56.6674 67.3909 173.1280 48 A 4.7574 8.2580 124.7040 50.2376 19.1002 176.4993 49 E 3.9816 8.6375 124.0820 59.7816 30.1978 176.5213 50 S 4.4581 7.2873 110.9632 57.3196 65.1148 174.6923 51 V 3.7480 8.4344 120.6024 65.1034 31.4089 174.5821 52 G 4.1459 9.3367 115.6697 44.9121 0.0000 172.1032 53 E 5.0320 7.9959 119.3817 55.0165 31.4927 176.1023 54 V 5.0165 9.1965 116.7564 59.9054 36.9375 173.7294 55 Y 5.3163 9.0473 118.6409 56.4652 41.6834 175.4371 56 I 4.5374 8.6095 122.3126 59.6020 40.2882 174.3786 57 K 4.9165 8.8881 128.5504 54.4450 35.7681 175.0999 58 S 5.1422 8.1806 119.2821 56.5094 65.5262 175.2222 59 T 3.8172 8.3497 109.5159 64.4154 68.6670 176.2013 *61 T 4.3056 7.2763 110.3673 60.6200 70.4826 174.6408 62 G 3.9577 8.0162 110.1147 45.2592 0.0000 173.0527 63 Q 4.8168 7.7342 117.9983 54.4894 31.3705 174.1846 64 Y 5.0980 8.9500 119.0409 55.9684 41.2769 175.1523 65 L 4.4594 8.8255 125.8675 55.2468 43.7321 175.5220 66 A 5.5386 8.4352 125.8611 50.7027 23.6440 174.4064 67 M 5.3332 8.3670 118.0692 54.3236 35.1825 174.8826 68 D 5.0880 9.2267 126.5661 52.6362 41.1263 176.7368 69 T 4.1506 8.5573 112.6417 64.2809 67.1981 173.9316 70 D 4.7443 9.1358 119.5006 54.6188 41.9278 177.0516 71 G 3.3332 8.5942 108.2696 45.2158 0.0000 172.5770 72 L 4.8251 7.9187 118.7534 52.6046 43.5162 175.7265 73 L 5.5278 8.5944 122.7005 54.2904 42.8256 175.5541 74 Y 4.8086 8.0780 118.7556 56.1272 41.3230 173.1677 75 G 4.2199 8.7764 108.0363 45.4146 0.0000 172.9041 76 S 5.0433 9.3335 120.5490 56.5451 64.3078 175.2626 77 Q 4.3085 9.0419 125.5449 58.2396 28.9789 176.6127 78 T 4.6100 7.5305 112.8448 60.4753 71.6689 171.8797 79 P 3.9035 0.0000 0.0000 62.5694 32.0442 175.0577 80 N 4.9319 8.1515 117.0436 51.3437 40.1876 174.6940 81 E 3.9281 8.7192 115.7042 59.0084 29.4213 177.6496 82 E 4.1763 8.5100 118.1724 57.3229 29.8290 177.2314 83 C 5.0830 7.9129 115.6203 59.1423 29.2120 173.5706 84 L 4.1651 7.3211 121.4616 54.1682 42.6058 175.7781 85 F 5.3525 8.7794 122.2124 55.5474 43.0455 174.1509 86 L 4.7713 9.0733 123.7981 54.2145 42.9397 175.2496 87 E 4.7521 9.3650 126.1519 54.8213 30.7770 175.1895 88 R 4.8456 8.3528 124.9163 54.1261 34.8684 174.5047 89 L 4.8387 8.4806 122.7682 55.1405 43.5595 175.8304 90 E 4.5535 8.8486 123.2324 55.6963 33.6839 175.0165 91 E 3.5545 9.5661 125.3071 57.5569 26.8804 176.4775 92 N 4.4255 8.5067 114.7177 54.1798 37.3827 174.9042 93 H 4.6467 7.7932 111.7171 56.3649 31.7027 173.2425 94 Y 4.7423 7.7423 116.7303 57.1115 40.3736 174.1308 95 N 5.5840 9.4015 117.1139 52.0078 42.1351 174.3714 96 T 5.2461 8.5373 111.5595 60.2469 73.3856 172.3085 97 Y 5.1771 8.5860 118.8410 56.5931 41.8181 174.1904 98 I 4.9005 8.5991 125.3991 59.1760 39.9251 175.3026 99 S 4.1582 8.6472 121.9566 58.5400 62.4892 174.2040 100 K 4.0016 8.6281 128.9082 59.3163 32.2428 178.8865 101 K 3.8142 7.8575 118.2605 58.9068 32.3285 176.5749 102 H 4.5874 7.6619 114.9231 54.9968 29.6225 175.5931 103 A 3.9248 7.7886 125.7421 55.4618 18.1486 180.3916 104 E 4.2574 8.0412 108.9862 57.3276 29.2951 177.1874 105 K 4.2710 7.4724 117.1803 55.3350 34.2707 175.2217 106 N 3.6561 7.8105 115.2889 53.8530 35.8000 176.3028 107 W 4.8405 7.2721 118.5543 55.5496 30.0471 178.0452 108 F 5.4862 8.6078 123.4819 56.0643 39.9506 175.0063 109 V 4.2395 8.5968 119.9230 62.1061 32.7229 174.8962 110 G 4.6497 8.6207 113.3551 44.5568 0.0000 170.9964 111 L 5.2697 8.2809 119.7297 52.6554 45.4319 176.6711 112 K 4.3682 8.6999 122.1639 55.0020 33.8316 178.1863 113 K 4.0038 8.6064 120.4314 58.8747 32.0399 177.8811 114 N 4.5979 8.0723 114.6101 52.4515 37.6675 175.9241 115 G 3.7906 8.0605 108.4193 45.3151 0.0000 173.4267 116 S 4.9468 7.8230 114.6614 56.9142 65.3442 173.8168 117 C 4.7251 8.5459 118.5443 59.9632 28.7403 172.9077 118 K 4.4876 8.4829 123.0127 54.9123 33.6951 175.9935 119 R 4.2473 8.5128 126.1826 55.4471 31.2463 177.2365 120 G 3.1803 8.4191 115.4737 48.1755 0.0000 174.0735 121 P 4.4660 0.0000 0.0000 63.8929 31.4972 177.6320 122 R 4.2346 8.1318 117.0304 57.3419 30.5243 176.8158 123 T 4.9539 7.5193 107.4784 60.4945 69.8430 173.3692 124 H 4.9385 7.9405 116.2826 54.8907 30.8321 172.6754 125 Y 4.1466 8.7088 118.4675 58.7626 37.9593 175.9734 126 G 3.9312 8.8213 113.5532 45.8866 0.0000 174.1782 127 Q 4.3000 7.6258 118.6613 54.9081 29.7913 176.9225 128 K 3.5833 8.2619 118.9852 57.9556 32.9474 179.1962 129 A 3.8280 7.7440 122.1235 54.1948 18.4312 178.5118 130 I 4.5992 6.6797 106.3477 60.1642 38.3995 175.4144 131 L 4.3799 7.1448 123.5082 54.0400 42.6058 175.8052 132 F 5.2610 9.4622 122.5071 55.5187 43.4013 174.2230 133 L 5.1741 9.1409 123.0590 52.5687 44.9205 173.7713 134 P 4.9034 0.0000 0.0000 63.0142 31.9035 175.7161 135 L 4.9520 8.9073 124.2729 51.9559 45.0741 174.2915 136 P 4.6485 0.0000 0.0000 62.5542 32.2700 177.0817 137 V 3.8042 8.2459 115.3070 61.7463 31.6366 176.1933 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 1E H 8.43 4.75 0.00 3.24 3.42 0.00 5.67 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1F H 8.74 4.46 0.00 3.40 3.42 0.00 5.66 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1G F 9.21 4.98 0.00 2.87 3.08 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 0.00 0.00 0.00 0.00 2 N 8.58 4.56 0.00 2.91 2.76 0.00 0.00 6.83 6.74 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 3 L 8.15 4.87 0.00 1.43 1.40 0.57 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.69 0.00 2.15 2.04 0.00 3.73 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 1.92 1.94 0.00 5 P 0.00 4.24 0.00 2.00 1.98 0.00 3.67 0.00 0.00 3.63 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 6 G 8.56 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 N 8.33 4.00 0.00 2.71 2.79 0.00 0.00 6.64 7.46 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 8 Y 7.50 4.97 0.00 2.99 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 9 K 8.10 4.26 0.00 1.77 1.89 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.51 7.81 10 K 7.64 4.75 0.00 1.71 1.69 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.39 7.81 11 P 0.00 4.68 0.00 2.07 2.05 0.00 3.71 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 12 K 8.97 4.96 0.00 1.72 1.88 0.00 1.79 0.00 0.00 1.68 0.00 0.00 2.83 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.58 7.81 13 L 8.91 5.06 0.00 1.75 1.73 0.78 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.72 4.91 0.00 1.70 1.83 0.52 0.88 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 15 Y 8.80 4.46 0.00 3.11 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 C 7.81 4.20 0.00 2.44 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 0.00 0.00 0.00 17 S 7.54 3.94 0.00 3.69 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 18 N 7.49 4.25 0.00 2.54 2.79 0.00 0.00 7.20 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 20 G 7.51 4.33 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 0.00 21 H 7.46 4.96 0.00 2.96 3.15 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 F 8.84 5.25 0.00 3.06 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 23 L 8.38 4.64 0.00 1.70 1.61 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 24 R 9.02 4.89 0.00 1.96 1.90 0.00 3.10 0.00 0.00 3.33 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.82 0.00 25 I 8.14 4.74 1.85 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 1.20 0.76 0.90 0.00 0.00 26 L 8.51 4.46 0.00 1.60 1.50 0.89 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.45 0.00 2.04 2.15 0.00 3.62 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 2.07 2.14 0.00 28 D 8.13 4.62 0.00 2.77 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 29 G 8.40 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 0.00 0.00 0.00 30 T 7.68 4.67 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 31 V 8.42 5.42 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 0.72 0.00 0.00 0.94 0.00 0.00 32 D 7.81 4.39 0.00 2.90 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 G 9.31 5.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.27 4.93 4.32 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 1.37 0.00 0.00 35 R 8.93 4.23 0.00 1.87 1.97 0.00 3.20 0.00 0.00 3.03 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.54 0.00 36 D 8.04 4.60 0.00 2.84 2.62 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 37 R 8.67 3.57 0.00 1.90 1.92 0.00 3.38 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.18 0.00 38 S 8.13 4.59 0.00 3.99 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 39 D 7.43 4.44 0.00 2.84 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 40 Q 8.52 4.46 0.00 1.99 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.29 0.00 0.00 0.00 0.00 0.00 2.12 2.28 0.00 41 H 8.53 4.97 0.00 3.25 3.39 0.00 5.82 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.78 4.46 1.87 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.51 0.94 0.00 0.00 43 Q 7.97 4.20 0.00 1.90 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.83 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 44 L 8.89 5.03 0.00 1.54 1.54 0.87 0.43 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 Q 8.87 4.86 0.00 2.10 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.79 0.00 0.00 0.00 0.00 0.00 2.22 2.35 0.00 46 L 8.72 5.26 0.00 1.79 1.67 0.94 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.80 4.74 0.00 3.98 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 48 A 8.26 4.76 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.64 3.98 0.00 1.72 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.24 0.00 50 S 7.29 4.46 0.00 3.99 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 51 V 8.43 3.75 2.24 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 1.05 0.00 0.00 1.02 0.00 0.00 52 G 9.34 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 E 8.00 5.03 0.00 1.89 1.75 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 2.23 2.29 0.00 54 V 9.20 5.02 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 0.59 0.00 0.00 1.17 0.00 0.00 55 Y 9.05 5.32 0.00 2.92 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 56 I 8.61 4.54 1.72 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.63 0.71 0.00 0.00 57 K 8.89 4.92 0.00 1.26 1.36 0.00 1.19 0.00 0.00 0.64 0.00 0.00 2.76 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.01 0.98 7.81 58 S 8.18 5.14 0.00 3.91 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 59 T 8.35 3.82 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 1.22 0.00 0.00 *61 T 7.28 4.31 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 1.24 0.00 0.00 62 G 8.02 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 63 Q 7.73 4.82 0.00 1.94 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.09 6.71 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 64 Y 8.95 5.10 0.00 2.85 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 L 8.83 4.46 0.00 1.69 1.51 0.82 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 66 A 8.44 5.54 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 M 8.37 5.33 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.73 0.00 68 D 9.23 5.09 0.00 3.02 2.90 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 0.00 0.00 0.00 0.00 69 T 8.56 4.15 4.33 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 1.26 0.00 0.00 70 D 9.14 4.74 0.00 2.77 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 71 G 8.59 3.33 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 0.00 72 L 7.92 4.83 0.00 1.99 1.62 0.91 0.58 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 73 L 8.59 5.53 0.00 1.57 1.61 0.92 0.99 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 74 Y 8.08 4.81 0.00 3.05 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.78 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 76 S 9.33 5.04 0.00 3.83 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 Q 9.04 4.31 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.48 0.00 0.00 0.00 0.00 0.00 2.43 2.37 0.00 78 T 7.53 4.61 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 1.12 0.00 0.00 79 P 0.00 3.90 0.00 1.64 0.49 0.00 3.47 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.40 0.00 80 N 8.15 4.93 0.00 2.91 2.91 0.00 0.00 5.96 7.66 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 81 E 8.72 3.93 0.00 2.03 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 2.27 2.32 0.00 82 E 8.51 4.18 0.00 2.29 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 2.34 2.32 0.00 83 C 7.91 5.08 0.00 3.27 3.30 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 84 L 7.32 4.17 0.00 1.37 1.36 0.81 0.40 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 85 F 8.78 5.35 0.00 3.01 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 86 L 9.07 4.77 0.00 1.63 1.63 0.94 0.94 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 87 E 9.37 4.75 0.00 2.08 1.91 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 2.13 1.77 0.00 88 R 8.35 4.85 0.00 1.80 1.81 0.00 3.14 0.00 0.00 3.02 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.65 0.00 89 L 8.48 4.84 0.00 1.64 1.66 0.96 0.64 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 90 E 8.85 4.55 0.00 2.25 1.84 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 2.28 2.45 0.00 91 E 9.57 3.55 0.00 2.41 2.19 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 2.35 2.36 0.00 92 N 8.51 4.43 0.00 2.52 2.73 0.00 0.00 6.90 8.16 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 93 H 7.79 4.65 0.00 2.63 2.95 0.00 5.64 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 Y 7.74 4.74 0.00 3.20 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 N 9.40 5.58 0.00 3.06 2.59 0.00 0.00 6.95 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 96 T 8.54 5.25 4.38 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 1.30 0.00 0.00 97 Y 8.59 5.18 0.00 2.73 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 98 I 8.60 4.90 1.83 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 0.58 0.85 0.71 0.00 0.00 99 S 8.65 4.16 0.00 4.13 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 0.00 100 K 8.63 4.00 0.00 1.77 1.63 0.00 1.60 0.00 0.00 1.46 0.00 0.00 2.78 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.30 7.81 101 K 7.86 3.81 0.00 1.57 1.53 0.00 1.81 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.00 1.29 7.81 102 H 7.66 4.59 0.00 2.96 2.21 0.00 5.69 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 0.00 103 A 7.79 3.92 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 0.00 104 E 8.04 4.26 0.00 2.02 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 2.15 2.19 0.00 105 K 7.47 4.27 0.00 1.16 1.37 0.00 1.32 0.00 0.00 1.45 0.00 0.00 2.55 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.18 1.11 7.81 106 N 7.81 3.66 0.00 2.90 2.68 0.00 0.00 6.88 7.27 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 0.00 107 W 7.27 4.84 0.00 3.27 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 0.00 108 F 8.61 5.49 0.00 2.92 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 0.00 109 V 8.60 4.24 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 0.73 0.00 0.00 0.68 0.00 0.00 110 G 8.62 4.65 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 0.00 0.00 0.00 111 L 8.28 5.27 0.00 1.34 1.41 0.98 0.91 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 0.00 112 K 8.70 4.37 0.00 1.84 1.66 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.82 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.36 7.81 113 K 8.61 4.00 0.00 1.70 1.85 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.36 7.81 114 N 8.07 4.60 0.00 2.79 2.89 0.00 0.00 6.20 7.00 0.00 0.00 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 G 8.06 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 0.00 116 S 7.82 4.95 0.00 3.91 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 0.00 117 C 8.55 4.73 0.00 2.88 2.90 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 0.00 0.00 0.00 0.00 118 K 8.48 4.49 0.00 1.75 1.66 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.32 7.81 119 R 8.51 4.25 0.00 1.78 1.63 0.00 3.17 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.45 0.00 120 G 8.42 3.18 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 0.00 0.00 0.00 121 P 0.00 4.47 0.00 1.98 2.23 0.00 3.19 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.91 0.00 122 R 8.13 4.23 0.00 1.86 1.95 0.00 3.31 0.00 0.00 3.28 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 123 T 7.52 4.95 4.38 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 1.30 0.00 0.00 124 H 7.94 4.94 0.00 3.42 3.55 0.00 5.46 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 Y 8.71 4.15 0.00 3.12 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 0.00 126 G 8.82 3.93 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 0.00 0.00 0.00 127 Q 7.63 4.30 0.00 1.94 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.78 0.00 0.00 0.00 0.00 0.00 2.19 2.18 0.00 128 K 8.26 3.58 0.00 1.64 1.61 0.00 1.57 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.32 7.81 129 A 7.74 3.83 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 I 6.68 4.60 1.63 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.06 0.68 0.00 0.00 131 L 7.14 4.38 0.00 0.94 0.70 0.41 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 132 F 9.46 5.26 0.00 3.27 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 0.00 133 L 9.14 5.17 0.00 2.05 1.78 0.95 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 4.90 0.00 2.20 2.20 0.00 3.91 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.09 0.00 135 L 8.91 4.95 0.00 1.71 1.63 1.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 136 P 0.00 4.65 0.00 1.94 1.98 0.00 3.69 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 2.03 2.13 0.00 137 V 8.25 3.80 2.06 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 0.67 0.00 0.00 0.98 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.