NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 S 4.3472 8.3349 115.2891 56.1191 62.9383 174.0188 -1 N 4.0658 8.8499 111.6588 53.5004 36.5375 173.0819 0 A 4.6122 7.2324 125.0738 51.6020 19.7452 177.3348 0 K 4.6122 7.2824 121.6738 55.3020 33.7452 176.1348 3 Q 4.3431 8.5861 123.6509 54.0512 32.2886 174.1194 4 I 3.9391 8.2589 127.6872 61.3709 37.7258 175.7345 5 I 3.7304 8.0046 128.8540 60.7747 38.1832 176.3941 6 D 4.5314 8.6019 126.3984 53.0106 40.1338 176.0844 7 I 3.9585 8.3580 127.1929 64.3704 37.4637 178.5904 8 E 4.1161 8.3981 118.0671 58.7460 29.4919 177.2406 9 N 4.8555 7.9668 113.6082 52.4866 39.0832 174.3146 10 W 4.7343 8.0576 130.5433 56.5337 31.2514 176.8329 11 E 3.9088 9.1758 126.8342 58.7071 29.3610 177.4005 12 R 4.0121 5.8400 116.0057 55.4168 30.6888 177.4019 13 K 3.8702 7.5518 121.4321 60.1416 31.8771 178.4891 14 E 3.9575 7.9267 117.7816 59.2973 29.3084 178.6051 15 N 4.1446 7.9471 114.9908 56.5009 38.8825 176.7245 16 F 4.2729 8.4399 122.0707 61.4368 39.6433 177.0343 17 N 4.3756 8.5964 116.2900 55.8593 38.0292 176.8593 18 F 3.7203 8.0362 121.9733 61.2813 39.6773 176.6621 19 F 3.5855 7.4855 114.3247 57.4973 38.7440 177.8787 20 R 3.7593 7.4971 116.2147 58.5097 29.2916 176.9490 21 H 4.8285 7.7553 113.8615 55.1994 29.1972 174.6076 22 F 4.2196 8.1563 119.2913 57.3626 39.2927 175.3837 23 Q 3.9990 8.7177 125.9330 58.5852 28.9854 175.6983 24 N 4.7877 7.9060 115.8719 51.4192 40.2252 171.2643 25 P 4.5451 0.0000 0.0000 62.7980 32.0171 175.3102 26 Q 5.3827 8.4011 118.5399 54.1811 30.2639 175.0267 27 L 4.7717 8.1808 122.0415 54.1822 43.6861 175.0191 28 S 5.1702 8.5052 115.9840 56.8736 65.4891 173.3636 29 I 4.7636 8.2728 122.6589 59.5557 41.9792 173.7519 30 T 5.3272 8.4611 123.4296 62.0715 72.3567 172.8671 31 S 5.0079 8.9034 119.4726 56.7233 66.6960 171.7456 32 E 5.1400 8.4975 118.0980 54.4922 32.7195 175.5896 33 V 4.7429 8.0715 112.7221 59.3682 35.9585 174.8956 34 E 4.6587 9.4481 124.9680 56.5761 30.0483 176.9135 35 C 5.0604 9.1976 116.1026 57.1672 31.6742 176.0877 36 G 3.6834 8.3946 109.7261 48.1225 0.0000 176.1523 37 G 3.8451 8.2647 108.6845 47.0854 0.0000 175.4971 38 A 3.9517 8.3459 123.7652 54.5546 18.3727 179.4818 39 R 3.6006 8.0930 117.4028 59.7023 29.9585 178.5793 40 Q 3.8987 8.0639 119.0812 59.1946 29.1305 178.2844 41 R 3.8549 8.2423 119.1701 59.2350 30.1107 178.9636 42 A 4.0252 8.2793 120.9602 54.7941 18.3603 179.5184 43 K 3.8079 8.2504 118.0097 59.7857 32.1139 178.8139 44 A 3.9946 8.0699 119.5000 54.7162 18.3831 178.5107 45 A 4.4054 7.8693 116.1437 51.0692 19.4761 177.1647 46 G 3.8829 7.8300 105.2439 46.7911 0.0000 174.0034 47 Q 4.7428 8.3857 117.3306 53.3642 31.2155 175.7961 48 S 4.4838 9.4182 115.5792 58.0360 62.9814 174.3956 49 F 4.5488 9.3418 130.2393 61.3841 39.0760 176.3156 50 F 3.0696 8.5017 119.8519 61.4085 39.0145 177.2107 51 L 3.5669 7.6183 116.4291 57.4886 41.3196 179.3259 52 H 4.3782 8.1303 116.6744 59.1604 28.7749 177.3126 53 Y 4.2043 7.2254 118.7237 59.3530 38.0759 177.2538 54 L 3.6999 7.2735 122.7691 58.1364 42.0746 178.3976 55 Y 3.2164 7.7399 119.0702 60.1792 38.7055 177.2534 56 A 3.1654 7.4885 121.7580 55.0908 18.3984 179.7746 57 V 3.1437 7.4417 116.1602 66.0174 31.6451 177.9154 58 L 3.6787 7.5165 119.9821 57.9642 41.8092 178.9653 59 R 3.2742 7.6312 118.6419 59.0017 29.8163 178.1778 60 A 3.6904 7.3478 120.2891 55.2035 18.0330 179.5528 61 A 3.9212 7.4991 117.8562 55.2988 18.5033 179.4023 62 N 4.2347 7.6513 114.1313 55.7110 38.5588 176.5695 63 E 4.6021 7.7021 117.7964 55.6581 30.3478 176.0114 64 I 4.4969 7.3035 120.8127 58.6901 38.5023 174.1169 65 P 4.3341 0.0000 0.0000 65.7064 31.5931 178.9408 66 E 4.0591 8.4030 117.0182 59.4216 29.4098 178.3422 67 F 4.2098 8.1888 114.9873 58.5814 39.1023 175.7760 68 R 4.6246 8.3258 119.5107 55.9398 31.7575 174.8937 69 Y 4.3063 7.4739 117.3897 57.4708 38.6865 175.0740 70 R 4.9230 8.9044 121.5924 54.8517 35.7184 174.0073 71 I 5.0354 8.5375 121.1892 59.5525 38.5077 175.8832 72 D 4.7249 9.1538 127.8268 52.2737 39.9233 175.6497 73 P 4.3334 0.0000 0.0000 65.4958 31.2568 177.1651 74 D 4.6237 8.6912 116.5270 53.9698 40.8011 177.3524 75 G 4.0304 8.5760 107.9915 45.3820 0.0000 173.7874 76 R 4.4082 7.8093 118.9480 54.7886 32.1354 176.0353 77 V 4.0988 8.2871 123.4628 63.3005 32.6403 174.9917 78 V 4.6946 8.8314 121.0243 59.3267 35.7252 174.1255 79 L 4.3375 8.2304 126.6285 53.5794 43.6671 174.6199 80 Y 4.5148 8.4354 124.6752 56.6719 38.5397 175.5627 81 D 4.3960 8.9754 123.6993 56.9477 41.7256 176.1196 82 T 4.9165 7.5693 110.2624 60.2375 70.6450 172.4966 83 I 4.7802 8.4763 126.3010 59.8368 41.7105 174.2603 84 D 4.9725 8.0531 123.7794 54.3306 42.7160 178.0957 *86 L 4.6732 8.4652 126.7651 56.0073 43.4746 174.6852 87 S 5.1822 8.8342 115.7833 56.8943 66.4998 171.6117 88 P 4.7588 0.0000 0.0000 62.9945 30.9101 176.1547 89 I 4.0733 8.8101 124.9581 61.7123 37.6576 175.5204 *97 F 5.2170 7.6403 115.2685 56.6732 39.1327 174.1478 98 F 5.0360 9.2450 123.1740 56.6240 42.2445 173.9280 99 T 4.4266 8.2965 123.2794 63.9540 68.6735 173.7029 100 T 4.5059 9.1384 121.8398 60.0083 71.0237 172.3107 101 R 4.7435 8.0944 125.9003 54.5363 32.0983 175.1446 102 F 4.8645 8.6768 124.3186 54.7754 41.4737 173.3397 103 P 4.6656 0.0000 0.0000 62.4428 31.9704 175.6190 104 Y 4.6600 8.8793 122.6130 57.9624 39.6962 174.7220 105 H 4.6973 8.3646 122.5779 53.5562 32.2079 174.3772 106 N 4.2473 8.5784 120.4655 55.3115 38.7908 174.3026 107 D 4.8749 7.5276 117.1095 51.9926 42.7006 175.9705 108 F 3.3097 9.0711 129.0196 61.5181 39.2161 176.7089 109 D 4.0153 7.9816 117.6284 57.4593 40.6092 178.4780 110 T 3.6994 8.0428 116.1825 66.6241 68.4104 175.9309 111 F 4.0283 8.3355 122.6588 61.6317 39.2275 176.3875 112 Y 3.5879 8.3340 119.7808 60.7100 38.5387 177.9993 113 Q 3.9693 8.3106 119.1063 59.1782 28.8213 178.8050 114 E 3.8112 8.2005 119.9537 59.0937 29.5586 178.6346 115 A 4.0357 7.8031 121.1210 55.1870 18.3271 179.7706 116 R 3.7265 7.7544 116.6899 59.3010 30.1150 179.2153 117 L 3.9485 7.7020 118.5042 57.9991 41.4262 179.6705 118 I 3.6615 7.6573 118.4524 64.3894 37.0326 178.3544 119 I 3.9588 7.8548 119.8989 64.3941 37.0578 177.6671 120 D 4.5378 8.2646 118.8051 55.6047 41.0868 178.1211 121 A 4.3241 8.2493 122.3430 52.2024 17.3736 179.3956 *139 G 3.2682 8.8237 106.1128 46.6676 0.0000 173.9496 140 D 4.5030 7.9056 118.4151 53.8712 40.8240 174.5913 141 Y 5.0375 8.2185 123.2695 57.9260 39.1385 177.2590 142 G 2.9613 7.3322 108.8916 45.2074 0.0000 172.9713 143 L 5.2761 7.0400 117.0253 52.9228 46.5392 177.2746 144 I 4.7533 8.1328 113.1474 59.0994 41.1993 174.2990 145 L 4.9920 8.7081 124.7907 53.2388 44.6113 174.6398 146 L 5.1940 8.8004 128.1381 53.3095 45.0611 174.5836 147 S 5.0179 9.1503 121.0421 56.5496 64.4952 172.2180 148 A 5.3691 8.8032 129.1855 50.8017 20.8968 176.8767 149 T 4.7522 9.1955 113.0869 58.8272 68.2355 172.8872 150 P 4.4640 0.0000 0.0000 65.8112 31.9422 178.1844 151 D 4.7828 8.1178 117.2811 53.8663 41.2541 175.5578 152 L 4.7041 8.2277 122.4454 53.1639 43.7614 174.9710 153 Y 4.5508 8.6183 127.6065 57.1846 39.6831 174.3109 154 F 4.6631 6.3824 118.9518 55.8421 40.5620 174.1820 155 T 4.2298 8.1386 111.1409 61.8121 69.6199 174.5554 156 S 4.9123 7.4960 114.1952 58.3617 65.2693 173.5592 157 I 4.4198 8.1619 127.0987 59.5696 40.4633 174.3724 158 T 4.4261 8.3605 118.9971 59.9581 69.2335 174.0289 159 G 3.8566 8.0770 118.5045 44.5331 0.0000 172.9237 160 T 4.0452 8.0111 109.7765 61.3392 69.3894 173.7183 161 Q 4.4718 8.1056 121.8952 54.2395 31.2898 174.2524 162 E 4.0161 9.5217 127.7485 58.4737 30.0008 176.4662 163 K 4.7096 7.4549 115.3750 54.4536 36.1658 176.6622 164 R 3.8670 8.8268 119.2699 59.6463 29.7078 177.6121 165 S 4.1879 7.9148 109.3199 58.6398 63.4250 172.5372 166 G 3.6999 7.7714 106.5417 43.9777 0.0000 173.2027 167 N 4.3556 8.2580 115.8197 52.9588 38.9605 175.5586 168 N 3.9553 8.0323 118.1756 56.1490 38.6540 174.6008 169 Y 4.9394 6.3323 113.0821 54.6337 41.4169 173.1312 170 P 4.6455 0.0000 0.0000 63.2285 32.6660 175.2853 171 L 5.2353 8.3191 122.7436 53.0132 43.9706 175.9658 172 L 5.1707 9.3848 123.0661 53.0307 46.1418 175.2193 173 N 5.5717 9.3345 117.4326 51.6438 42.8766 173.3378 174 A 5.1996 9.6438 125.2791 50.4207 22.1010 175.7254 175 G 4.1059 8.1709 108.7937 44.1242 0.0000 172.0758 176 K 4.5700 8.7140 121.5512 55.9599 32.7729 177.5537 177 A 4.5641 8.6577 129.3332 51.8504 19.3644 176.4442 178 I 4.4946 9.0043 122.1697 59.1794 42.2115 174.1843 179 I 4.5990 8.2311 128.7319 60.2511 38.1016 175.3198 180 R 4.3082 8.9050 128.8201 55.1269 31.5585 175.4014 181 E 4.0755 10.0123 126.6108 57.4028 27.1275 175.9339 182 G 3.9701 8.6610 105.0379 45.1280 0.0000 173.8862 183 R 4.5265 7.6080 118.5062 53.5729 33.1698 174.4855 184 L 4.4836 8.4447 124.7697 55.8029 43.2931 175.8748 185 V 5.6982 8.9093 121.0358 58.2295 36.2301 172.1984 *187 P 4.5839 0.0000 0.0000 63.5272 32.9985 175.5902 188 I 5.2628 8.9613 122.8798 59.8945 40.7373 175.0448 189 A 5.8629 8.9610 129.4367 49.9845 22.6313 175.0606 *191 T 4.6095 8.1626 113.3396 63.7963 70.0856 173.8723 192 I 5.0367 8.4272 118.9239 59.1729 42.2849 173.7671 193 H 4.5977 8.6194 121.9422 55.3120 30.2946 175.4439 194 H 4.2749 8.5807 127.1734 58.7292 29.2481 177.4450 195 G 3.5938 7.7030 106.4625 47.4045 0.0000 174.8356 196 F 4.9910 7.7723 118.5937 57.8808 39.5780 176.2878 197 I 4.4163 7.0074 118.0498 59.6600 40.8611 174.3663 198 D 5.0231 8.7809 124.7034 52.2066 43.7525 177.1434 199 G 3.7192 8.6005 105.4861 48.5058 0.0000 175.0711 200 H 4.1428 8.2335 119.9267 59.6870 29.8808 176.9017 201 H 4.5022 8.1462 117.6045 58.6116 28.5893 177.8143 202 L 4.3933 8.0843 120.6927 57.8391 41.5488 179.2585 203 S 4.2619 8.3352 113.3059 61.3241 62.3327 175.9484 204 L 3.9898 7.9799 122.8923 57.8857 41.7274 178.5787 205 F 3.7602 8.3886 120.6434 61.5673 39.1980 176.7903 206 Y 3.8588 8.0518 116.1288 60.7252 37.5882 178.2916 207 K 3.8844 8.1213 120.6027 59.6329 32.3573 178.9459 208 K 3.8698 8.0420 118.6116 59.3107 31.6101 179.4655 209 V 3.3068 7.4016 118.5969 65.8890 31.2951 177.7121 210 E 3.9524 8.4236 119.3015 59.3815 29.2764 178.2510 211 D 4.3674 8.1171 118.1570 57.6476 40.9951 178.5789 212 F 4.1592 8.0151 119.2318 60.4340 39.5298 176.2624 213 L 4.5005 7.5540 117.7526 55.3414 42.3823 176.6594 214 K 4.2440 8.3702 123.2037 57.0460 32.5799 176.5871 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ -2 S 8.33 4.35 0.00 3.82 3.42 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.85 4.07 0.00 2.98 2.87 0.00 0.00 6.62 6.46 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 A 7.23 4.61 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 0 K 7.28 4.61 0.00 1.67 1.63 0.00 0.61 0.00 0.00 1.75 0.00 0.00 2.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.35 7.81 3 Q 8.59 4.34 0.00 1.89 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.03 0.00 0.00 0.00 0.00 0.00 2.07 2.18 0.00 4 I 8.26 3.94 1.77 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.83 0.82 0.00 0.00 5 I 8.00 3.73 1.47 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.17 0.21 0.00 0.00 6 D 8.60 4.53 0.00 2.74 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 7 I 8.36 3.96 1.96 0.00 0.00 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 1.41 1.23 1.13 0.00 0.00 8 E 8.40 4.12 0.00 2.01 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 0.00 2.36 2.31 0.00 9 N 7.97 4.86 0.00 2.95 2.89 0.00 0.00 6.96 7.06 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 10 W 8.06 4.73 0.00 3.54 3.28 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 11 E 9.18 3.91 0.00 1.97 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 2.14 2.29 0.00 12 R 5.84 4.01 0.00 0.67 1.03 0.00 3.03 0.00 0.00 3.01 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.11 0.00 13 K 7.55 3.87 0.00 2.17 1.82 0.00 1.72 0.00 0.00 1.91 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.68 7.81 14 E 7.93 3.96 0.00 1.94 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.32 0.00 15 N 7.95 4.14 0.00 2.63 2.83 0.00 0.00 6.84 7.45 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 16 F 8.44 4.27 0.00 3.13 3.17 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 17 N 8.60 4.38 0.00 2.91 2.89 0.00 0.00 6.65 7.83 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 18 F 8.04 3.72 0.00 2.84 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 19 F 7.49 3.59 0.00 2.74 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.50 3.76 0.00 1.79 1.87 0.00 3.27 0.00 0.00 3.29 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.50 0.00 21 H 7.76 4.83 0.00 3.17 3.35 0.00 5.71 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 F 8.16 4.22 0.00 3.12 3.14 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 0.00 23 Q 8.72 4.00 0.00 1.97 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.94 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 24 N 7.91 4.79 0.00 2.73 2.71 0.00 0.00 6.95 7.69 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 25 P 0.00 4.55 0.00 1.66 2.27 0.00 3.69 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 1.81 1.89 0.00 26 Q 8.40 5.38 0.00 1.97 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.72 0.00 0.00 0.00 0.00 0.00 2.22 2.16 0.00 27 L 8.18 4.77 0.00 1.65 1.60 0.88 0.32 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 28 S 8.51 5.17 0.00 3.73 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 29 I 8.27 4.76 1.93 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 1.40 1.51 1.10 0.00 0.00 30 T 8.46 5.33 4.41 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 1.40 0.00 0.00 31 S 8.90 5.01 0.00 3.01 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.50 5.14 0.00 1.98 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 2.14 2.30 0.00 33 V 8.07 4.74 2.12 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 1.07 0.00 0.00 0.97 0.00 0.00 34 E 9.45 4.66 0.00 1.84 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 2.34 2.26 0.00 35 C 9.20 5.06 0.00 3.40 3.21 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 36 G 8.39 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 37 G 8.26 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.35 3.95 1.57 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 0.00 0.00 39 R 8.09 3.60 0.00 1.41 1.97 0.00 2.88 0.00 0.00 2.92 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.37 0.00 40 Q 8.06 3.90 0.00 2.18 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 41 R 8.24 3.85 0.00 1.80 1.93 0.00 3.05 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.73 0.00 42 A 8.28 4.03 1.47 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 0.00 0.00 43 K 8.25 3.81 0.00 1.87 2.02 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.46 7.81 44 A 8.07 3.99 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 45 A 7.87 4.41 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 46 G 7.83 3.88 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 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3.22 0.00 2.80 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 56 A 7.49 3.17 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 V 7.44 3.14 2.13 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 1.08 0.00 0.00 0.97 0.00 0.00 58 L 7.52 3.68 0.00 1.67 1.30 0.87 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 59 R 7.63 3.27 0.00 0.85 1.24 0.00 2.97 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.57 0.00 60 A 7.35 3.69 0.73 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 0.00 0.00 0.00 0.00 0.00 0.00 61 A 7.50 3.92 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 62 N 7.65 4.23 0.00 2.11 2.48 0.00 0.00 7.02 7.82 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 63 E 7.70 4.60 0.00 1.88 1.97 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.82 3.27 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 0.00 140 D 7.91 4.50 0.00 2.63 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 Y 8.22 5.04 0.00 3.05 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 0.00 142 G 7.33 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 0.00 143 L 7.04 5.28 0.00 0.43 0.87 0.68 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 144 I 8.13 4.75 1.87 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 1.03 0.61 0.91 0.00 0.00 145 L 8.71 4.99 0.00 1.90 1.66 1.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 146 L 8.80 5.19 0.00 1.81 1.55 1.03 0.92 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 0.00 147 S 9.15 5.02 0.00 3.86 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 0.00 148 A 8.80 5.37 1.58 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 0.00 0.00 149 T 9.20 4.75 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 150 P 0.00 4.46 0.00 2.39 2.59 0.00 3.78 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.10 0.00 151 D 8.12 4.78 0.00 2.76 2.79 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 0.00 152 L 8.23 4.70 0.00 1.78 1.79 1.03 0.76 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 0.00 153 Y 8.62 4.55 0.00 2.89 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 0.00 154 F 6.38 4.66 0.00 3.08 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 0.00 155 T 8.14 4.23 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 1.20 0.00 0.00 156 S 7.50 4.91 0.00 3.82 3.72 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 0.00 157 I 8.16 4.42 1.47 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 -0.30 0.71 0.00 0.00 158 T 8.36 4.43 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 1.18 0.00 0.00 159 G 8.08 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 0.00 0.00 0.00 160 T 8.01 4.05 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 1.19 0.00 0.00 161 Q 8.11 4.47 0.00 1.93 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 7.10 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 162 E 9.52 4.02 0.00 1.86 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 2.29 2.20 0.00 163 K 7.45 4.71 0.00 1.91 1.84 0.00 1.60 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.39 7.81 164 R 8.83 3.87 0.00 1.80 2.04 0.00 3.25 0.00 0.00 3.30 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.65 0.00 165 S 7.91 4.19 0.00 4.09 4.02 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 0.00 0.00 0.00 166 G 7.77 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 0.00 0.00 0.00 167 N 8.26 4.36 0.00 2.58 2.48 0.00 0.00 6.87 8.00 0.00 0.00 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 N 8.03 3.96 0.00 1.80 1.42 0.00 0.00 6.74 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 0.00 169 Y 6.33 4.94 0.00 2.99 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 0.00 170 P 0.00 4.65 0.00 2.15 2.07 0.00 3.68 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.23 0.00 171 L 8.32 5.24 0.00 1.48 1.54 0.85 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 172 L 9.38 5.17 0.00 1.70 1.56 0.87 0.47 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 0.00 173 N 9.33 5.57 0.00 2.50 2.59 0.00 0.00 6.99 7.45 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 0.00 174 A 9.64 5.20 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 0.00 175 G 8.17 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 176 K 8.71 4.57 0.00 2.05 1.88 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.36 7.81 177 A 8.66 4.56 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 I 9.00 4.49 1.53 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 1.07 0.41 0.00 0.00 179 I 8.23 4.60 1.80 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 1.17 0.62 0.88 0.00 0.00 180 R 8.91 4.31 0.00 1.63 1.69 0.00 3.40 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.50 0.00 181 E 10.01 4.08 0.00 2.07 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 2.21 2.26 0.00 182 G 8.66 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 0.00 183 R 7.61 4.53 0.00 1.80 1.77 0.00 3.28 0.00 0.00 3.07 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.64 0.00 184 L 8.44 4.48 0.00 1.72 1.60 0.86 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 185 V 8.91 5.70 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.98 0.00 0.00 *187 P 0.00 4.58 0.00 1.19 1.81 0.00 3.63 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 0.89 1.23 0.00 188 I 8.96 5.26 2.20 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.70 1.07 0.00 0.00 189 A 8.96 5.86 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 *191 T 8.16 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 1.17 0.00 0.00 192 I 8.43 5.04 1.87 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.65 0.96 0.00 0.00 193 H 8.62 4.60 0.00 3.18 3.14 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 0.00 194 H 8.58 4.27 0.00 2.64 1.45 0.00 5.64 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 195 G 7.70 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 F 7.77 4.99 0.00 3.20 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 0.00 197 I 7.01 4.42 1.73 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 0.19 0.76 0.00 0.00 198 D 8.78 5.02 0.00 2.70 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 0.00 199 G 8.60 3.72 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 0.00 200 H 8.23 4.14 0.00 3.15 3.17 0.00 5.67 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 201 H 8.15 4.50 0.00 3.47 3.47 0.00 5.87 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 202 L 8.08 4.39 0.00 2.02 2.01 0.98 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 203 S 8.34 4.26 0.00 3.98 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 204 L 7.98 3.99 0.00 1.83 1.89 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 205 F 8.39 3.76 0.00 2.66 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 0.00 206 Y 8.05 3.86 0.00 3.23 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 0.00 207 K 8.12 3.88 0.00 1.87 2.06 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.50 7.81 208 K 8.04 3.87 0.00 1.79 1.61 0.00 1.63 0.00 0.00 1.46 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.45 7.81 209 V 7.40 3.31 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 0.86 0.00 0.00 0.01 0.00 0.00 210 E 8.42 3.95 0.00 2.14 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 0.00 2.31 2.59 0.00 211 D 8.12 4.37 0.00 2.67 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 212 F 8.02 4.16 0.00 2.93 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 0.00 213 L 7.55 4.50 0.00 1.89 1.78 0.99 1.15 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 0.00 214 K 8.37 4.24 0.00 1.90 1.97 0.00 1.33 0.00 0.00 1.68 0.00 0.00 3.06 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.55 1.36 7.81 * Residues marked with a * may have inaccurate shift predictions.