NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4894 8.1633 120.6140 55.6197 33.6479 173.9420 2 R 4.7605 8.4581 125.1424 53.6828 32.6232 174.6655 3 L 4.2059 8.5237 123.4183 54.7583 43.0662 176.6914 4 C 4.5303 8.7391 118.9986 57.7387 31.2264 174.1635 5 D 4.4022 9.1813 120.8541 57.1012 38.6119 179.1792 6 R 3.9059 8.0071 119.8604 59.1325 30.0518 178.0647 7 D 4.5416 8.0893 117.9814 57.1093 40.8550 178.6291 8 I 3.4655 7.9576 120.8192 64.4747 37.0436 178.3269 9 E 4.0212 8.3930 119.1301 59.1957 29.1999 179.2826 10 A 4.0459 8.2821 121.0400 55.0115 18.4686 179.7737 11 W 4.0248 8.7881 117.7276 59.7110 28.9506 178.8221 12 L 4.2096 8.2285 119.1241 57.9636 40.8257 178.9300 13 D 4.3829 8.1593 117.9341 57.5217 40.9446 178.2592 14 E 3.9876 8.2029 119.3635 57.4138 29.5136 177.9908 15 G 3.9295 7.4946 105.5019 46.1619 0.0000 174.6964 16 R 4.0334 7.7798 120.3123 58.0479 30.4051 177.0306 17 L 5.1855 7.9426 118.7167 53.0893 45.4044 175.9879 18 S 4.7802 9.0901 118.7220 56.6333 66.2730 172.8615 19 I 4.9680 8.4032 122.7143 59.7672 40.6193 173.8772 20 N 5.3716 9.2675 125.1350 50.5618 41.7943 172.9839 21 P 4.6680 0.0000 0.0000 62.3410 32.6125 175.9507 22 R 4.4022 8.2737 121.7979 54.2368 30.5966 174.7799 23 P 4.4313 0.0000 0.0000 61.5374 32.2303 174.3234 24 P 4.5153 0.0000 0.0000 62.2776 32.3144 177.4494 25 V 3.6179 8.4250 117.9607 66.1246 31.4099 177.7869 26 E 4.0475 8.2716 117.6500 58.7910 29.5007 177.7228 27 R 4.4848 8.0905 116.2539 55.5899 30.5793 175.2821 28 I 4.9524 7.2949 119.7029 59.8400 39.4024 174.6224 29 N 4.7354 9.2067 120.4789 52.9907 41.8793 176.4139 30 G 3.8320 9.2621 111.9980 46.9000 0.0000 174.5822 31 A 5.2192 9.4710 118.4252 50.2354 20.7376 177.1703 32 T 4.9675 8.3453 107.7116 61.5687 72.9982 172.6393 33 V 4.9219 8.6502 122.8639 61.2404 34.0950 174.3927 34 D 5.0413 9.0978 128.7127 54.2867 41.6519 176.2341 35 V 4.5812 8.6321 115.7559 59.7222 35.4406 175.1694 36 R 5.0042 9.6775 122.3992 54.3556 33.6862 174.7770 37 L 4.4845 8.7926 122.8264 54.9346 43.4974 176.8030 38 G 3.9682 8.3970 113.5749 44.5669 0.0000 172.2063 39 N 5.2427 8.2521 114.4954 53.0242 39.6455 175.7684 40 K 4.9644 7.3909 116.9343 54.8045 36.3426 176.4280 41 F 5.4393 9.5922 123.7745 55.7439 43.1321 174.6148 42 R 5.1479 8.9620 118.4560 54.8965 34.7811 174.3051 43 T 5.2436 8.8160 110.8365 60.1790 72.9147 172.1535 44 F 5.0311 9.1011 119.7549 55.9593 40.8937 176.3570 45 R 4.5509 10.0269 122.8996 54.3907 31.4349 176.7772 46 G 3.7532 8.7925 113.9985 47.5807 0.0000 173.5076 47 H 4.3803 8.1756 114.8829 57.9924 28.6923 176.4736 48 T 4.0939 7.0548 109.8932 62.9926 69.1981 174.4095 49 A 4.6693 7.6048 122.7507 50.3936 22.3473 175.5868 50 A 4.3645 8.5261 122.5111 54.3338 19.4167 177.5563 51 F 4.7726 7.2139 107.3671 56.5969 39.9963 172.9052 52 I 4.2058 8.4442 121.6527 59.3855 39.2875 175.0016 53 D 4.8206 8.5244 125.0181 53.1293 41.0603 176.6569 54 L 4.2854 8.1988 128.6814 53.7672 40.0170 176.3538 *65 L 4.4147 7.8464 121.2161 54.7485 43.8359 177.0412 66 D 4.5771 7.3909 114.6508 54.0366 42.9877 176.5522 67 R 4.2093 8.3990 118.3669 57.2702 30.1041 176.5491 68 V 4.3442 7.4995 109.6113 63.1499 33.4704 175.6356 69 M 4.1928 7.8441 119.9597 54.0055 32.8413 176.5865 70 S 4.3761 8.9823 118.1126 58.0355 64.0879 173.9270 71 D 4.4149 8.6312 120.5220 54.3021 41.1589 176.1570 72 E 4.1502 8.6636 122.9325 57.3261 30.3558 176.0371 73 I 4.6265 9.2038 126.9956 59.5539 39.9429 174.5336 74 V 5.0201 8.4137 126.5691 60.1596 33.5861 174.7197 75 L 4.7301 8.1668 128.3315 53.8281 42.8834 176.8330 76 D 4.6120 8.9053 122.5304 53.8473 41.5610 175.8963 77 E 4.2690 8.5100 120.7902 57.7672 29.8529 178.0146 78 G 3.9408 8.8029 110.1201 45.8219 0.0000 173.3448 79 E 4.3153 8.0723 118.8673 55.4579 30.5297 175.5604 80 A 4.8138 8.0705 123.1501 50.0271 21.8360 175.6465 81 F 3.9922 8.6074 123.5874 57.4680 40.8647 174.2086 82 Y 4.5692 7.7878 124.2202 56.6831 38.8042 175.0998 83 L 4.5793 8.9801 129.1561 54.0736 43.1166 175.5145 84 H 4.8108 8.6928 123.9138 54.1422 30.6394 173.5047 85 P 4.1946 0.0000 0.0000 64.7284 31.4439 176.9063 86 G 3.9125 8.8413 111.8068 44.8272 0.0000 172.5324 87 E 4.7883 7.6497 119.5095 54.2971 32.2630 174.5947 88 L 5.2545 8.6839 125.4110 53.6909 43.9605 175.2635 89 A 5.2391 9.0876 126.5520 50.4494 23.2237 174.7014 90 L 5.0761 8.8908 120.0673 53.8507 44.2734 175.8584 91 A 5.0286 8.5407 122.8002 50.8166 23.3133 174.9033 92 V 4.8238 7.5415 116.1431 60.1532 35.2576 175.0097 93 T 4.4672 8.4492 112.5225 61.3474 69.2057 174.5639 94 L 4.1224 8.4327 127.1565 58.4726 42.3040 177.5630 95 E 4.4340 8.1905 118.1609 56.3255 30.9556 175.8070 96 S 4.9779 9.2491 118.8640 57.1689 64.6851 172.8350 97 V 5.0010 8.8808 126.2407 61.4347 34.6112 174.0873 98 T 5.1148 9.5253 124.8627 61.8945 71.2959 172.8796 99 L 5.1584 9.0346 127.2403 52.2566 44.3548 174.9344 100 P 4.8143 0.0000 0.0000 62.0044 33.1873 176.8003 101 A 4.2016 8.8339 121.5804 54.1082 18.6586 178.3736 102 D 5.1304 8.1757 115.0332 52.5935 39.8080 174.7349 103 L 5.3750 7.9268 120.7718 53.8613 45.6930 175.3435 104 V 4.3539 9.0961 125.4778 59.8094 34.3000 174.8611 105 G 4.1022 8.4059 109.9153 44.2238 0.0000 172.1510 106 W 5.2708 8.0729 119.4449 54.8305 33.2911 174.0504 107 L 4.8214 8.9285 128.3794 54.2052 42.5613 175.3857 108 D 4.9792 9.3745 125.2772 52.7926 45.7752 175.9091 109 G 4.3775 8.4021 108.8575 44.8798 0.0000 173.2552 110 R 4.6457 8.1987 117.3305 53.7763 34.1406 176.0914 111 S 4.0765 8.7811 117.2332 61.9693 62.0997 176.6673 112 S 4.1548 8.1210 116.1270 61.3110 62.8215 175.8377 113 L 4.2985 7.6976 120.3152 56.6694 42.1461 178.6585 114 A 4.0714 8.3265 121.1836 54.9336 18.0876 179.0474 115 R 4.2491 7.8215 113.9981 57.2150 30.4037 177.5172 116 L 4.6708 7.8225 117.7672 53.7108 43.2909 176.9333 117 G 3.9870 7.8246 107.2913 44.8509 0.0000 173.0161 118 L 4.4339 7.6535 121.9475 54.6634 42.3992 175.6900 119 M 4.5030 9.1071 127.2239 54.4309 33.0599 177.3320 120 V 4.7212 8.3901 115.7039 61.8514 32.5751 174.7301 121 H 5.0815 7.4951 113.3777 55.0342 31.2075 172.6247 122 V 4.3882 8.2113 117.5270 62.7677 31.7086 175.6039 123 T 3.5037 8.8376 109.3351 60.9525 67.3007 171.2467 124 A 4.4882 7.6669 124.7747 51.5566 19.2488 176.6418 125 H 4.7434 8.5627 115.3688 56.4227 31.4139 172.4677 126 R 3.8694 7.7969 119.6612 55.4169 31.1714 175.3823 127 I 3.8254 7.9254 127.7072 59.3336 39.2713 175.0978 128 D 4.7560 8.0826 127.3585 52.6797 42.6200 174.4305 129 P 4.7341 0.0000 0.0000 64.0382 31.4838 177.4721 130 G 4.0905 8.5908 110.6634 44.8741 0.0000 173.6075 131 W 4.2820 8.1486 130.5728 57.4247 31.2885 174.7475 132 S 4.7081 7.7852 118.3451 55.7091 64.8621 172.7404 133 G 4.2354 7.9260 113.1436 42.9106 0.0000 172.1866 134 C 4.8740 8.0663 118.2999 59.5209 29.0526 173.4109 135 I 4.3732 8.5544 122.8816 59.9405 38.8093 175.1358 136 V 4.2467 8.2236 126.6469 62.3344 32.6009 174.8675 137 L 4.5530 8.7322 127.5184 53.0186 44.2214 175.3740 138 D 5.2646 8.4301 122.8415 52.6428 42.5219 174.8131 139 F 5.4109 8.7980 123.2907 57.3016 40.7012 174.3436 140 Y 5.3221 9.0863 123.5673 54.8043 42.4056 173.3994 141 N 5.0776 8.1869 125.6878 52.4257 39.7600 174.6447 142 S 4.5246 9.0174 121.4541 58.5966 64.0525 174.9354 143 G 3.9909 8.2496 110.6529 44.9650 0.0000 173.1575 144 K 4.3004 8.4739 116.6124 56.7307 33.0769 176.8985 145 L 4.8110 7.4446 117.2073 51.6551 44.3898 174.3240 146 P 4.5280 0.0000 0.0000 63.0267 32.3283 175.6156 147 L 4.7200 8.6539 122.8581 52.7496 44.3714 175.5488 148 A 4.3925 8.7214 126.6963 51.5051 19.1498 176.2106 149 L 4.7473 9.1384 123.7678 53.1825 44.9345 176.0731 150 R 4.9074 8.3229 121.1866 53.4041 33.9265 173.1470 151 P 4.4660 0.0000 0.0000 64.7286 31.7945 176.5839 152 G 4.0406 9.2868 111.6562 45.1669 0.0000 173.7640 153 M 4.3808 7.7292 117.2885 54.7844 32.7715 175.9780 154 L 4.4977 8.4755 121.0988 55.2993 41.7740 176.6562 155 I 4.4231 8.5156 122.4441 61.6304 40.6446 174.7729 156 G 4.2770 7.6947 106.2316 46.2647 0.0000 171.7877 157 A 5.3269 8.7200 120.1884 50.6966 23.2043 175.8988 158 L 5.1915 8.9087 120.0894 52.8466 45.2572 175.9731 159 S 4.9181 8.3365 116.1827 56.4779 67.1005 172.7116 160 F 5.2353 8.4649 118.1286 55.6884 42.9794 173.3155 161 E 5.2469 9.8356 124.4335 52.5162 32.1207 173.3351 162 P 4.9626 0.0000 0.0000 62.8700 32.3142 176.1705 163 L 4.5264 8.3757 122.3243 54.0993 42.4266 177.3977 164 S 4.2528 8.9985 115.8440 61.0604 62.8398 174.1678 165 G 4.2398 7.5484 106.3227 42.4693 0.0000 169.7520 166 P 4.4615 0.0000 0.0000 62.1899 31.7666 176.4966 167 A 4.1935 8.5969 126.0695 52.0818 18.8934 178.2420 168 V 3.7845 8.5493 123.2050 65.1388 32.3042 176.6858 169 R 4.5807 7.5414 117.5423 53.8522 29.5455 172.6362 170 P 4.6352 0.0000 0.0000 61.7331 33.2156 176.8565 171 Y 4.1733 8.9923 118.9809 57.9972 38.6271 175.0909 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 8.16 4.49 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.54 0.00 2 R 8.46 4.76 0.00 1.79 1.82 0.00 3.44 0.00 0.00 3.27 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.65 0.00 3 L 8.52 4.21 0.00 1.49 1.39 -0.40 0.85 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 4 C 8.74 4.53 0.00 3.01 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 5 D 9.18 4.40 0.00 2.96 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 6 R 8.01 3.91 0.00 1.92 1.99 0.00 3.21 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.76 0.00 7 D 8.09 4.54 0.00 2.78 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 8 I 7.96 3.47 2.02 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.88 0.85 0.00 0.00 9 E 8.39 4.02 0.00 2.17 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 0.00 2.35 2.34 0.00 10 A 8.28 4.05 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.79 4.02 0.00 3.35 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 12 L 8.23 4.21 0.00 1.89 1.73 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 13 D 8.16 4.38 0.00 2.80 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.20 3.99 0.00 2.13 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 0.00 2.16 2.25 0.00 15 G 7.49 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 16 R 7.78 4.03 0.00 1.65 1.89 0.00 2.64 0.00 0.00 2.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.90 0.00 17 L 7.94 5.19 0.00 1.73 1.61 0.76 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 18 S 9.09 4.78 0.00 3.88 3.90 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 19 I 8.40 4.97 1.90 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.14 1.01 0.00 0.00 20 N 9.27 5.37 0.00 2.56 2.68 0.00 0.00 6.62 7.64 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 21 P 0.00 4.67 0.00 1.95 1.99 0.00 3.68 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 2.04 2.09 0.00 22 R 8.27 4.40 0.00 1.78 1.85 0.00 3.07 0.00 0.00 2.74 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 23 P 0.00 4.43 0.00 2.11 2.00 0.00 3.77 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.11 0.00 24 P 0.00 4.52 0.00 2.42 2.21 0.00 3.73 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.97 0.00 25 V 8.43 3.62 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 1.00 0.00 0.00 0.94 0.00 0.00 26 E 8.27 4.05 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 27 R 8.09 4.48 0.00 1.98 1.94 0.00 3.24 0.00 0.00 3.19 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.73 0.00 28 I 7.29 4.95 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.79 0.95 0.00 0.00 29 N 9.21 4.74 0.00 2.91 2.86 0.00 0.00 6.48 6.99 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 30 G 9.26 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 0.00 0.00 0.00 31 A 9.47 5.22 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 32 T 8.35 4.97 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 33 V 8.65 4.92 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 1.12 0.00 0.00 1.15 0.00 0.00 34 D 9.10 5.04 0.00 2.60 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 35 V 8.63 4.58 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 0.86 0.00 0.00 0.98 0.00 0.00 36 R 9.68 5.00 0.00 1.72 1.98 0.00 3.13 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 37 L 8.79 4.48 0.00 1.88 1.60 1.17 1.83 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 38 G 8.40 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.25 5.24 0.00 2.79 2.71 0.00 0.00 6.68 6.53 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 40 K 7.39 4.96 0.00 1.49 1.72 0.00 1.59 0.00 0.00 1.93 0.00 0.00 2.83 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.38 7.81 41 F 9.59 5.44 0.00 2.88 2.64 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 42 R 8.96 5.15 0.00 1.59 1.62 0.00 3.13 0.00 0.00 3.29 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 43 T 8.82 5.24 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 44 F 9.10 5.03 0.00 2.99 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 45 R 10.03 4.55 0.00 1.73 1.86 0.00 3.19 0.00 0.00 3.21 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 46 G 8.79 3.75 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 0.00 0.00 0.00 47 H 8.18 4.38 0.00 3.31 3.49 0.00 5.52 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 T 7.05 4.09 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 49 A 7.60 4.67 1.17 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 0.00 0.00 0.00 0.00 0.00 0.00 50 A 8.53 4.36 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.21 4.77 0.00 3.09 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 52 I 8.44 4.21 1.93 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.69 0.94 0.00 0.00 53 D 8.52 4.82 0.00 2.89 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 54 L 8.20 4.29 0.00 1.72 1.65 0.95 1.08 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 *65 L 7.85 4.41 0.00 1.65 1.77 0.92 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 66 D 7.39 4.58 0.00 2.57 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 67 R 8.40 4.21 0.00 1.74 1.90 0.00 3.19 0.00 0.00 3.21 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 68 V 7.50 4.34 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 0.79 0.00 0.00 1.04 0.00 0.00 69 M 7.84 4.19 0.00 1.69 1.85 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.20 0.00 70 S 8.98 4.38 0.00 3.86 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 71 D 8.63 4.41 0.00 2.71 2.67 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 2.34 2.28 0.00 80 A 8.07 4.81 0.70 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 0.00 0.00 81 F 8.61 3.99 0.00 2.21 2.34 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 82 Y 7.79 4.57 0.00 2.71 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 L 8.98 4.58 0.00 1.97 1.59 1.23 0.87 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 84 H 8.69 4.81 0.00 3.13 3.18 0.00 5.69 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 85 P 0.00 4.19 0.00 2.01 2.19 0.00 3.68 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 2.14 2.06 0.00 86 G 8.84 3.91 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 0.00 0.00 0.00 87 E 7.65 4.79 0.00 2.01 1.96 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 2.25 2.43 0.00 88 L 8.68 5.25 0.00 1.77 1.47 1.10 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 89 A 9.09 5.24 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 L 8.89 5.08 0.00 1.60 1.54 0.95 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 91 A 8.54 5.03 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 V 7.54 4.82 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.91 0.00 0.00 93 T 8.45 4.47 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 1.18 0.00 0.00 94 L 8.43 4.12 0.00 1.77 1.75 0.92 1.01 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 95 E 8.19 4.43 0.00 2.05 1.89 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 2.54 2.39 0.00 96 S 9.25 4.98 0.00 3.86 3.72 0.00 0.00 0.00 0.00 0.00 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113 L 7.70 4.30 0.00 1.80 1.65 0.97 0.80 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 0.00 114 A 8.33 4.07 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 0.00 115 R 7.82 4.25 0.00 1.81 1.98 0.00 3.11 0.00 0.00 3.22 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.85 0.00 116 L 7.82 4.67 0.00 1.70 1.64 0.90 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 117 G 7.82 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 L 7.65 4.43 0.00 1.51 1.65 0.60 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 119 M 9.11 4.50 0.00 2.29 2.13 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 2.70 2.54 0.00 120 V 8.39 4.72 2.34 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 0.91 0.00 0.00 1.05 0.00 0.00 121 H 7.50 5.08 0.00 3.32 3.27 0.00 5.27 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 V 8.21 4.39 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 0.83 0.00 0.00 0.91 0.00 0.00 123 T 8.84 3.50 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 1.19 0.00 0.00 124 A 7.67 4.49 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 0.00 125 H 8.56 4.74 0.00 3.09 2.92 0.00 5.47 0.00 0.00 0.00 0.00 6.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 R 7.80 3.87 0.00 1.59 1.54 0.00 2.91 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.50 0.00 127 I 7.93 3.83 1.52 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.56 0.52 0.00 0.00 128 D 8.08 4.76 0.00 2.42 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 0.00 129 P 0.00 4.73 0.00 2.27 2.35 0.00 3.84 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.96 0.00 130 G 8.59 4.09 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 0.00 0.00 0.00 131 W 8.15 4.28 0.00 3.31 2.97 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.79 4.71 0.00 3.67 3.41 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 0.00 133 G 7.93 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 0.00 0.00 0.00 0.00 134 C 8.07 4.87 0.00 2.92 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 I 8.55 4.37 1.81 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.74 0.69 0.00 0.00 136 V 8.22 4.25 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 0.71 0.00 0.00 0.94 0.00 0.00 137 L 8.73 4.55 0.00 0.77 0.86 0.76 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 138 D 8.43 5.26 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 0.00 139 F 8.80 5.41 0.00 3.26 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 Y 9.09 5.32 0.00 3.12 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 0.00 141 N 8.19 5.08 0.00 2.69 2.66 0.00 0.00 6.92 7.63 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 0.00 142 S 9.02 4.52 0.00 4.03 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 0.00 143 G 8.25 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 K 8.47 4.30 0.00 1.74 1.86 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.38 7.81 145 L 7.44 4.81 0.00 1.55 1.52 0.91 1.01 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 0.00 146 P 0.00 4.53 0.00 1.88 1.71 0.00 3.60 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 2.01 2.15 0.00 147 L 8.65 4.72 0.00 1.50 1.48 0.84 0.77 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 0.00 148 A 8.72 4.39 1.17 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 0.00 0.00 0.00 0.00 0.00 0.00 149 L 9.14 4.75 0.00 1.58 1.62 0.68 0.04 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 0.00 150 R 8.32 4.91 0.00 1.73 1.78 0.00 3.13 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 1.54 1.58 0.00 151 P 0.00 4.47 0.00 2.10 2.08 0.00 3.75 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.46 0.00 152 G 9.29 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 M 7.73 4.38 0.00 2.17 2.22 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.69 0.00 154 L 8.48 4.50 0.00 1.57 1.68 0.94 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 155 I 8.52 4.42 1.97 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 1.61 0.93 1.09 0.00 0.00 156 G 7.69 4.28 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 0.00 157 A 8.72 5.33 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 L 8.91 5.19 0.00 1.50 1.05 0.98 0.69 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 0.00 159 S 8.34 4.92 0.00 3.89 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 F 8.46 5.24 0.00 2.87 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 0.00 161 E 9.84 5.25 0.00 2.16 2.04 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 2.31 2.35 0.00 162 P 0.00 4.96 0.00 2.19 2.17 0.00 3.69 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 163 L 8.38 4.53 0.00 1.78 1.69 0.97 0.95 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 0.00 164 S 9.00 4.25 0.00 4.00 4.04 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 0.00 165 G 7.55 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 0.00 0.00 0.00 0.00 166 P 0.00 4.46 0.00 2.08 2.03 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 2.11 0.00 167 A 8.60 4.19 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 0.00 168 V 8.55 3.78 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 0.84 0.00 0.00 0.95 0.00 0.00 169 R 7.54 4.58 0.00 1.82 1.84 0.00 3.27 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 170 P 0.00 4.64 0.00 2.25 2.14 0.00 3.80 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 2.01 1.98 0.00 171 Y 8.99 4.17 0.00 3.07 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 * Residues marked with a * may have inaccurate shift predictions.