NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3879 8.3049 120.3294 55.7196 33.4697 175.9631 2 S 4.4808 7.5995 114.9779 56.7265 65.5814 172.5218 3 N 4.4991 9.0691 123.5918 53.4914 42.7251 172.7193 4 T 4.6469 8.5329 117.3691 62.8291 69.7498 174.6964 5 L 4.6290 8.6937 121.6682 55.9550 43.9494 176.9060 6 F 5.1316 7.7448 119.1072 56.8680 43.2057 172.7185 7 D 4.4567 7.7777 124.5088 53.2984 43.7407 173.3275 8 D 4.6264 8.4925 124.6695 53.4892 45.9289 173.1996 9 I 4.8125 8.0810 120.7906 59.5683 39.6573 175.1532 10 F 5.2980 9.5510 124.3335 55.6979 43.5431 173.6266 11 Q 4.9994 9.5882 122.9660 54.0130 32.0332 174.7367 12 V 4.0792 8.8222 127.4929 63.7551 32.1296 175.6581 13 S 4.4902 9.6293 124.3432 59.7593 63.8494 173.6441 14 E 4.8575 8.0377 122.0579 53.1886 32.7629 173.9213 15 V 4.6892 8.4097 125.5453 60.0497 33.8347 174.7417 16 D 4.5757 8.8761 123.6465 51.9103 43.8689 172.8358 17 P 4.5758 0.0000 0.0000 61.4882 29.5622 176.4505 18 G 3.7331 8.1778 111.6148 46.8730 0.0000 171.0244 19 R 3.7468 8.3228 127.8751 56.7684 27.8374 176.0619 20 Y 5.0072 7.6975 111.7933 56.8275 42.1589 174.7831 21 N 4.8394 8.9435 118.3359 54.2573 40.8389 176.3027 22 K 4.3272 8.0759 116.5861 57.3401 34.0920 176.9707 23 V 4.7617 7.7408 119.2789 61.2050 33.3785 174.7740 24 C 4.9088 9.0773 125.8283 57.9409 31.2126 172.8481 25 R 4.5839 8.9733 124.3506 55.6268 31.1161 174.6847 26 I 4.8715 8.9890 127.0998 59.0989 41.0354 173.4433 27 E 5.1092 9.0615 129.8517 54.4871 31.7507 174.4043 28 A 5.3230 9.2388 128.0667 50.1315 23.1684 174.1889 29 A 5.2095 9.1699 121.6451 50.0963 22.2632 175.7248 30 S 4.2762 8.6463 115.8534 57.9864 63.2637 173.9195 31 T 4.0401 7.9216 123.4157 65.0080 68.8447 174.2335 32 T 3.6310 8.9498 126.7463 63.9126 66.3248 172.9903 33 Q 4.2424 7.4983 126.6202 55.2545 27.9631 175.7829 34 D 4.7616 8.5973 122.0285 54.5735 40.8219 177.2267 35 Q 4.5541 7.9868 115.4731 55.7509 29.3128 174.2848 36 C 5.4524 7.5549 118.8796 57.2867 33.0264 173.0374 37 K 4.9423 8.5671 123.4243 54.6670 36.7377 174.7435 38 L 5.0773 8.8463 123.6209 53.7610 45.7633 175.1432 39 T 5.0079 8.6151 122.3073 61.7437 71.9300 172.8548 40 L 5.0787 9.2321 128.2644 54.0836 46.2303 173.6470 41 D 5.2444 8.8262 126.3012 52.4169 40.6997 175.5401 42 I 4.4168 8.7227 125.1558 59.1066 40.0365 175.4764 43 N 4.6885 9.2266 125.8262 53.9366 37.0121 173.6473 44 V 4.5768 8.0974 126.4454 59.7216 28.9167 173.7858 45 E 4.7872 8.0025 120.2563 56.4117 36.1555 175.6124 46 L 4.3100 7.7097 117.5794 55.6178 42.6697 176.3296 47 F 4.8119 8.0059 121.2738 55.3962 41.1012 171.8540 48 P 4.3645 0.0000 0.0000 62.2038 32.0320 175.8551 49 V 4.0298 8.0350 119.7989 60.9916 33.8285 174.7852 50 A 4.6144 8.6923 130.5002 50.1292 21.3754 175.5038 51 A 4.1767 8.3225 120.5064 53.3315 19.3199 177.6989 52 Q 3.7953 8.3905 119.2491 56.0293 26.5345 173.5370 53 D 4.9948 7.7495 116.6422 52.9990 43.3867 177.0017 54 S 4.9907 8.6649 118.2228 57.8164 64.2965 173.4298 55 L 4.9642 9.6139 124.7750 53.0973 45.7806 175.4711 56 T 4.9874 8.1744 119.8341 62.1669 70.7068 173.7869 57 V 4.7919 8.9064 126.5012 61.4304 34.2365 174.4547 58 T 4.4831 8.6232 123.9023 62.8162 72.0096 172.8951 59 I 4.3396 8.8252 122.5351 58.0647 38.0672 177.1488 60 A 3.9629 8.5195 123.8999 52.5912 18.3768 178.7749 61 S 4.8472 8.0850 111.6938 58.0369 64.1090 174.9745 62 S 4.3169 6.9151 112.4840 59.2674 65.7699 174.5669 63 L 3.9911 7.3223 124.3961 53.0597 40.5694 178.7256 *76 T 3.9693 7.3942 113.3688 63.9383 69.2288 172.0596 77 R 4.0911 8.6527 130.4285 54.7875 30.0476 176.8649 78 S 4.0936 8.5533 115.5610 58.0053 63.2746 173.7928 79 W 4.1798 8.7676 134.0466 57.3661 29.8549 175.4070 80 R 3.9233 7.9646 125.5035 55.0372 30.7230 177.6085 81 P 4.0009 0.0000 0.0000 60.9133 31.8712 174.5872 82 P 4.5195 0.0000 0.0000 62.9747 30.4646 179.9539 83 Q 3.7530 9.0759 115.0494 56.2488 26.9162 174.2447 84 A 4.2018 7.7881 118.6933 53.0891 18.4865 178.5301 85 G 3.7808 8.0453 104.9871 47.7720 0.0000 174.1906 86 D 4.9543 8.2172 118.9497 53.8733 41.7957 175.4752 87 R 4.7107 7.7353 116.5902 54.1416 33.9214 174.8175 88 S 4.6155 8.4388 114.1925 57.2827 64.1055 173.7499 89 L 4.7977 8.1571 123.6768 52.6900 45.3250 177.3977 90 A 4.4753 8.4436 125.8463 51.7153 16.4268 177.0884 91 D 5.0920 7.6919 125.4950 52.5143 40.0608 177.7293 92 D 4.3478 8.1122 119.6777 57.6024 41.4842 176.7923 93 Y 4.5002 7.4133 116.5572 57.1938 39.0638 175.0962 94 D 4.4431 8.7830 124.6640 57.4997 41.5347 176.0947 95 Y 4.3010 7.8920 123.9235 56.4232 39.6777 173.8136 96 V 5.0152 8.3635 126.6394 61.4382 34.2363 174.4772 97 M 4.9116 9.3206 126.1542 53.7301 36.6223 173.2979 98 Y 4.4900 8.6217 122.4400 56.1139 41.1379 174.7039 99 G 3.9145 7.9624 113.3494 44.4025 0.0000 171.4479 100 T 4.9919 7.7437 114.0033 61.8170 72.7941 173.8479 101 A 4.9081 8.4932 125.3092 51.8195 19.0131 176.0489 102 Y 4.7182 7.8592 116.7110 58.1319 40.9008 175.3821 103 K 4.4880 6.6703 119.4510 53.3804 35.0992 175.5584 104 F 4.9826 8.2364 120.5445 55.9042 38.5352 174.0661 105 E 4.2046 8.3279 120.5155 55.6945 31.1372 176.0897 106 E 4.4210 8.7497 127.4926 55.7859 30.4365 177.6405 107 V 3.8824 8.2302 128.4276 64.3299 31.5017 175.9285 108 S 3.3574 8.5953 115.1727 60.9073 65.1470 172.5962 109 K 3.5402 8.2134 120.1006 58.6333 31.0705 175.9018 110 D 4.9334 8.6185 120.1577 54.1414 39.6159 176.2309 111 L 4.8116 8.1220 120.4496 54.3407 44.3975 176.2742 112 I 4.8135 8.4303 124.4983 59.0100 41.3819 174.1176 113 A 5.5158 8.3569 127.9826 49.2051 22.2943 175.6488 114 V 4.0671 7.8436 114.6650 59.5690 35.2936 174.3064 115 Y 5.4184 6.8852 119.2560 55.3349 41.2115 174.4893 116 Y 5.3308 8.4915 120.0213 56.2690 42.5639 174.7231 117 S 4.4354 8.8295 115.9292 56.2941 64.5940 173.8495 118 F 5.0231 8.6352 131.2339 56.6873 37.6818 176.4126 119 G 4.1037 8.9729 110.5468 45.8466 0.0000 170.4065 120 G 4.0855 8.2532 106.4279 45.5019 0.0000 172.2238 121 L 4.3975 7.5516 119.9840 54.5378 42.7233 176.8407 122 L 5.7848 10.0388 123.8825 52.9305 45.2654 174.9537 123 M 5.1968 8.4903 118.5492 54.2391 36.1928 173.2305 124 R 4.8037 9.4680 125.8395 54.3659 33.2361 173.9132 125 L 5.1525 8.0858 126.8493 53.2927 46.4729 174.7072 126 E 4.9254 8.1564 123.6549 54.3559 32.9009 172.5313 127 G 4.0545 8.7703 117.8844 46.3445 0.0000 174.4878 128 N 4.7671 8.4119 120.1902 54.4651 44.8468 174.5760 129 Y 4.8137 8.1598 115.2130 57.3574 38.3868 175.7201 130 R 4.4628 7.4254 117.0503 56.7044 30.9641 177.6900 131 N 4.2148 8.2961 117.0217 56.4627 38.5175 175.9964 132 L 4.5780 7.8107 114.1304 54.5833 41.9841 176.5772 133 N 4.7462 7.9578 116.1278 54.2284 40.9708 174.1425 134 N 4.6744 8.1857 118.3556 51.6223 37.6705 174.2187 135 L 4.2841 8.1410 124.8625 54.5691 42.5518 176.8664 136 K 4.6238 8.2911 116.1620 56.7326 31.2883 176.6046 137 Q 4.6651 7.8753 119.6176 54.2854 30.7956 175.9695 138 E 4.1166 9.0148 123.2772 59.5844 29.7182 178.1095 139 N 4.3400 8.2673 114.2918 53.4802 39.1500 174.6768 140 A 4.6588 7.3347 120.1157 52.0188 20.8520 175.3962 141 Y 4.6895 8.8039 119.8668 57.8590 39.9861 174.9824 142 L 4.6094 9.0947 122.5169 54.1266 45.5507 174.2351 143 L 5.0708 8.6202 126.7079 52.8729 44.5820 175.6774 144 I 5.6197 9.0070 124.1679 58.2738 40.6936 174.6520 145 R 4.8026 8.5117 122.1375 55.1267 33.0564 175.9669 146 R 4.1740 8.9077 119.1352 57.0359 30.9205 176.1308 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.30 4.39 0.00 2.05 2.17 0.00 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.53 0.00 2 S 7.60 4.48 0.00 3.79 3.77 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 3 N 9.07 4.50 0.00 2.80 2.63 0.00 0.00 7.09 7.22 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 4 T 8.53 4.65 4.27 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 1.22 0.00 0.00 5 L 8.69 4.63 0.00 1.71 1.90 1.04 0.83 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 6 F 7.74 5.13 0.00 3.05 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 7 D 7.78 4.46 0.00 2.55 2.38 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 8 D 8.49 4.63 0.00 2.78 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 I 8.08 4.81 1.81 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.97 0.93 0.00 0.00 10 F 9.55 5.30 0.00 3.09 2.93 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 11 Q 9.59 5.00 0.00 2.07 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.99 0.00 0.00 0.00 0.00 0.00 2.28 2.44 0.00 12 V 8.82 4.08 2.20 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 0.92 0.00 0.00 0.99 0.00 0.00 13 S 9.63 4.49 0.00 3.89 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 14 E 8.04 4.86 0.00 2.04 1.80 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 2.27 2.27 0.00 15 V 8.41 4.69 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 0.76 0.00 0.00 0.94 0.00 0.00 16 D 8.88 4.58 0.00 2.81 2.66 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 0.00 0.00 0.00 0.00 17 P 0.00 4.58 0.00 2.15 2.11 0.00 3.84 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 1.96 1.98 0.00 18 G 8.18 3.73 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 0.00 19 R 8.32 3.75 0.00 1.64 1.62 0.00 3.22 0.00 0.00 3.12 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.44 0.00 20 Y 7.70 5.01 0.00 3.04 2.73 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 21 N 8.94 4.84 0.00 2.74 2.88 0.00 0.00 6.93 7.61 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 22 K 8.08 4.33 0.00 1.71 1.84 0.00 1.62 0.00 0.00 1.90 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.63 1.45 7.81 23 V 7.74 4.76 1.74 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 0.69 0.00 0.00 0.81 0.00 0.00 24 C 9.08 4.91 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 25 R 8.97 4.58 0.00 1.93 1.84 0.00 3.10 0.00 0.00 3.14 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 26 I 8.99 4.87 1.86 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 1.11 1.45 0.90 0.00 0.00 27 E 9.06 5.11 0.00 2.13 1.79 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 2.22 2.29 0.00 28 A 9.24 5.32 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 29 A 9.17 5.21 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 30 S 8.65 4.28 0.00 3.51 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 31 T 7.92 4.04 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 1.19 0.00 0.00 32 T 8.95 3.63 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 1.16 0.00 0.00 33 Q 7.50 4.24 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.25 7.09 0.00 0.00 0.00 0.00 0.00 2.42 2.48 0.00 34 D 8.60 4.76 0.00 2.67 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 35 Q 7.99 4.55 0.00 2.14 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.71 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 36 C 7.55 5.45 0.00 3.11 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 37 K 8.57 4.94 0.00 1.71 1.66 0.00 1.68 0.00 0.00 1.76 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.46 1.44 7.81 38 L 8.85 5.08 0.00 1.58 1.53 0.76 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.62 5.01 4.26 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 1.30 0.00 0.00 40 L 9.23 5.08 0.00 1.68 1.36 0.86 1.19 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 41 D 8.83 5.24 0.00 2.71 2.68 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 42 I 8.72 4.42 1.88 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.81 1.11 0.00 0.00 43 N 9.23 4.69 0.00 2.84 2.79 0.00 0.00 6.62 7.32 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 44 V 8.10 4.58 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 1.09 0.00 0.00 0.99 0.00 0.00 45 E 8.00 4.79 0.00 1.93 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 2.20 2.32 0.00 46 L 7.71 4.31 0.00 1.71 1.61 0.87 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 47 F 8.01 4.81 0.00 3.09 3.23 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 48 P 0.00 4.36 0.00 2.01 1.92 0.00 3.06 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.98 0.00 49 V 8.03 4.03 2.05 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 0.85 0.00 0.00 0.96 0.00 0.00 50 A 8.69 4.61 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 51 A 8.32 4.18 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 52 Q 8.39 3.80 0.00 2.20 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.72 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 53 D 7.75 4.99 0.00 2.62 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 54 S 8.66 4.99 0.00 3.92 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 55 L 9.61 4.96 0.00 1.63 1.61 0.99 0.92 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 56 T 8.17 4.99 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 57 V 8.91 4.79 2.28 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 0.98 0.00 0.00 0.81 0.00 0.00 58 T 8.62 4.48 3.73 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 1.18 0.00 0.00 59 I 8.83 4.34 2.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.21 0.94 0.00 0.00 60 A 8.52 3.96 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 61 S 8.09 4.85 0.00 3.97 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 62 S 6.92 4.32 0.00 3.87 3.73 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 63 L 7.32 3.99 0.00 1.62 1.66 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 *76 T 7.39 3.97 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 1.26 0.00 0.00 77 R 8.65 4.09 0.00 2.01 1.99 0.00 3.23 0.00 0.00 3.29 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 78 S 8.55 4.09 0.00 4.02 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 79 W 8.77 4.18 0.00 3.18 3.26 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 80 R 7.96 3.92 0.00 1.58 1.63 0.00 3.18 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.72 0.00 81 P 0.00 4.00 0.00 1.87 1.80 0.00 3.50 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.96 0.00 82 P 0.00 4.52 0.00 2.12 1.40 0.00 3.72 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.97 0.00 83 Q 9.08 3.75 0.00 2.21 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.03 0.00 0.00 0.00 0.00 0.00 2.26 2.22 0.00 84 A 7.79 4.20 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 85 G 8.05 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 0.00 0.00 0.00 86 D 8.22 4.95 0.00 2.59 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 87 R 7.74 4.71 0.00 1.72 1.77 0.00 3.15 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.55 0.00 88 S 8.44 4.62 0.00 3.97 3.87 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 89 L 8.16 4.80 0.00 1.79 1.61 0.96 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.44 4.48 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 91 D 7.69 5.09 0.00 2.79 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 92 D 8.11 4.35 0.00 2.19 2.40 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.41 4.50 0.00 2.94 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 94 D 8.78 4.44 0.00 2.42 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 95 Y 7.89 4.30 0.00 2.56 2.53 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 0.00 0.00 0.00 0.00 96 V 8.36 5.02 2.15 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 1.05 0.00 0.00 1.03 0.00 0.00 97 M 9.32 4.91 0.00 1.50 1.23 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.55 0.00 98 Y 8.62 4.49 0.00 2.68 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 99 G 7.96 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 0.00 100 T 7.74 4.99 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 1.33 0.00 0.00 101 A 8.49 4.91 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 0.00 102 Y 7.86 4.72 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 0.00 103 K 6.67 4.49 0.00 1.22 1.69 0.00 1.62 0.00 0.00 1.84 0.00 0.00 2.86 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.27 7.81 104 F 8.24 4.98 0.00 2.81 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 0.00 105 E 8.33 4.20 0.00 2.30 1.98 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 2.34 2.33 0.00 106 E 8.75 4.42 0.00 2.00 1.88 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 2.29 2.29 0.00 107 V 8.23 3.88 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 0.77 0.00 0.00 0.90 0.00 0.00 108 S 8.60 3.36 0.00 4.11 4.03 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 0.00 109 K 8.21 3.54 0.00 1.87 1.30 0.00 1.69 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.40 7.81 110 D 8.62 4.93 0.00 2.74 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 0.00 111 L 8.12 4.81 0.00 1.73 1.59 0.92 0.51 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 0.00 112 I 8.43 4.81 1.83 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.45 0.83 0.00 0.00 113 A 8.36 5.52 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.84 4.07 1.22 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 0.81 0.00 0.00 0.50 0.00 0.00 115 Y 6.89 5.42 0.00 1.79 1.60 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 0.00 116 Y 8.49 5.33 0.00 2.73 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 0.00 0.00 0.00 117 S 8.83 4.44 0.00 3.69 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 0.00 118 F 8.64 5.02 0.00 3.18 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 0.00 119 G 8.97 4.10 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 0.00 0.00 0.00 120 G 8.25 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 0.00 121 L 7.55 4.40 0.00 1.92 1.88 0.96 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 122 L 10.04 5.78 0.00 1.62 1.71 0.96 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 123 M 8.49 5.20 0.00 2.37 2.20 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.71 0.00 124 R 9.47 4.80 0.00 1.88 1.68 0.00 3.18 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.21 0.00 125 L 8.09 5.15 0.00 1.64 1.21 1.02 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 126 E 8.16 4.93 0.00 1.79 1.88 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 2.17 2.20 0.00 127 G 8.77 4.05 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 0.00 0.00 0.00 128 N 8.41 4.77 0.00 2.86 2.81 0.00 0.00 6.66 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 0.00 129 Y 8.16 4.81 0.00 3.14 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.43 4.46 0.00 1.54 1.72 0.00 2.63 0.00 0.00 2.35 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.69 0.00 131 N 8.30 4.21 0.00 2.70 2.85 0.00 0.00 7.02 7.85 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 0.00 132 L 7.81 4.58 0.00 1.65 1.69 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 133 N 7.96 4.75 0.00 2.69 3.00 0.00 0.00 6.93 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 0.00 134 N 8.19 4.67 0.00 2.59 2.80 0.00 0.00 7.29 7.67 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 0.00 135 L 8.14 4.28 0.00 1.75 1.67 0.96 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 136 K 8.29 4.62 0.00 1.64 1.64 0.00 1.52 0.00 0.00 1.45 0.00 0.00 2.41 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.51 1.10 7.81 137 Q 7.88 4.67 0.00 2.14 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.53 6.86 0.00 0.00 0.00 0.00 0.00 2.50 2.42 0.00 138 E 9.01 4.12 0.00 2.08 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 0.00 2.39 2.36 0.00 139 N 8.27 4.34 0.00 2.90 2.92 0.00 0.00 6.71 7.35 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 0.00 140 A 7.33 4.66 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 0.00 141 Y 8.80 4.69 0.00 2.86 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 0.00 142 L 9.09 4.61 0.00 1.67 1.05 0.96 0.44 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 0.00 143 L 8.62 5.07 0.00 0.54 0.68 0.72 0.48 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 0.00 144 I 9.01 5.62 1.47 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.81 0.76 0.00 0.00 145 R 8.51 4.80 0.00 1.87 2.26 0.00 3.09 0.00 0.00 3.19 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.71 0.00 146 R 8.91 4.17 0.00 1.96 1.97 0.00 3.20 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 * Residues marked with a * may have inaccurate shift predictions.