NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1346 8.3044 118.1941 53.9815 33.2311 175.4831 2 L 3.1138 7.9876 114.2774 54.4242 39.0906 172.2757 3 T 3.8725 8.0641 117.3083 62.7142 70.0295 172.7687 4 D 4.9267 7.5808 119.6723 50.9151 43.6494 175.6618 5 P 4.1459 0.0000 0.0000 66.5218 31.4968 178.0883 6 I 3.7545 8.2614 118.2437 62.8873 36.2529 177.8313 7 A 3.8706 9.0627 122.1512 55.6596 18.6861 178.8919 8 D 4.3250 7.8418 116.0495 58.0404 41.1955 178.6002 9 M 3.9318 7.7949 117.9994 58.6258 32.3455 177.7314 10 L 3.8613 8.0097 119.4042 58.4482 41.8751 179.6964 11 T 3.7561 9.0441 115.5459 66.6954 68.5689 176.2570 12 R 3.8428 8.1992 120.9170 59.8955 29.9409 178.4703 13 I 3.6400 7.7999 119.1439 64.0829 37.0564 178.0863 14 R 3.7367 7.5403 119.1894 59.8518 29.6363 178.2745 15 N 4.2809 7.8987 114.1229 56.7412 38.8152 176.4898 16 A 4.0615 7.9072 122.7198 54.0452 18.2786 179.2501 17 T 3.5385 8.2208 106.3404 65.1322 68.6166 176.5212 18 R 3.5692 7.2577 120.1844 57.9435 30.1782 178.1560 19 V 4.1862 7.1794 108.4905 59.3336 33.3669 173.4421 20 Y 4.0272 7.7546 120.4909 57.7710 34.7799 168.2009 21 K 4.6639 9.0617 123.2683 54.1064 36.2528 174.9848 22 E 3.2142 8.2315 118.5763 58.6208 30.6691 179.0274 23 S 4.8707 7.9842 117.4395 58.6499 66.8091 172.1637 24 T 4.3784 7.0268 111.3567 64.0606 72.8186 170.0301 25 D 5.8500 8.7065 121.4240 55.1755 44.6958 175.4380 26 V 4.5640 8.4204 121.1481 61.6105 33.4335 169.1703 27 P 4.2537 0.0000 0.0000 62.9846 31.7356 175.9242 28 A 3.9875 8.3068 126.6110 52.4455 18.9922 177.0105 29 S 4.2125 8.7513 116.8203 56.6817 64.2075 174.1314 30 R 3.6595 8.0529 126.3922 59.6267 30.2252 176.9942 31 F 4.1050 8.3965 121.0308 61.3353 39.4639 178.0542 32 K 3.7961 8.9501 119.1753 59.1253 32.0339 178.8004 33 E 3.5704 8.0907 119.0508 59.4835 29.1427 179.1671 34 E 3.9555 8.0290 116.6637 59.9612 29.8013 178.8992 35 I 3.5862 6.9761 118.4435 64.0996 36.9938 177.9497 36 L 3.8237 8.1898 119.1062 58.8554 41.4324 180.5620 37 R 3.9920 8.2415 117.8769 59.4334 30.8543 177.8285 38 I 3.8461 7.8374 119.8108 64.5506 37.1455 178.3148 39 L 4.5537 8.1373 118.8724 57.6401 41.2782 179.2952 40 A 4.3096 8.1710 120.7002 54.2657 18.9415 178.9222 41 R 4.3262 8.5310 114.1812 57.4371 29.9987 177.6458 42 E 4.1318 8.1069 117.2028 55.8166 29.9633 175.9225 43 G 3.6742 7.4291 105.1342 47.1355 0.0000 174.5808 44 F 4.9522 8.6002 117.9899 57.2333 41.6275 176.4658 45 I 4.8821 7.4759 112.7001 58.6757 40.1943 176.1734 46 K 4.1089 8.5716 122.5884 58.0791 32.3672 177.6443 47 G 3.9282 6.3243 105.9588 44.9526 0.0000 170.0906 48 Y 5.7239 7.1791 117.4235 58.9353 40.4883 173.6128 49 E 5.7808 8.9936 120.8325 56.7951 31.3693 176.7319 50 R 4.6164 8.7898 122.0249 56.9313 31.2547 176.1732 51 V 4.6234 8.4827 114.2341 60.5629 36.5364 173.3500 52 D 5.1339 8.5772 119.0567 53.6273 44.4821 177.2233 53 V 4.2857 8.8558 120.2696 63.0997 32.6075 173.4930 54 D 4.1955 9.2266 127.3993 55.1240 37.9114 175.3724 55 G 4.0434 8.8033 108.4172 44.8846 0.0000 174.3262 56 K 4.4677 7.6382 118.8998 54.0906 33.9160 174.3147 57 P 5.1943 0.0000 0.0000 62.7145 33.3183 174.1310 58 Y 4.8900 8.2381 116.7834 57.5018 43.2256 173.6733 59 L 4.9866 8.5958 118.7739 53.5841 45.7287 176.5212 60 R 4.4689 9.4906 124.7515 55.9587 30.7431 176.1203 61 V 4.7003 8.0542 123.1237 60.7223 33.3942 172.9217 62 Y 4.4151 7.8986 123.0643 57.6118 38.4583 175.5887 63 L 4.3171 8.3390 123.9834 54.5610 42.7580 176.9045 64 K 4.6301 8.1313 123.0880 55.6600 33.2473 175.0392 65 Y 4.8527 8.9758 126.7804 56.6803 41.0846 174.6882 66 G 4.4473 9.0380 107.8162 44.3579 0.0000 171.3774 67 P 4.9224 0.0000 0.0000 60.9247 33.1604 175.5281 68 R 3.9544 8.5097 121.3811 57.2642 30.8234 175.2316 69 R 4.6542 8.0941 119.3542 54.7389 33.8181 173.9830 70 Q 4.4333 8.7336 117.7321 56.9855 30.4238 174.6376 71 G 3.7976 9.1601 110.1028 43.3998 0.0000 168.9114 72 P 4.0410 0.0000 0.0000 62.0994 30.8774 171.9469 73 D 4.5750 8.5187 120.0719 54.0625 38.8484 171.5811 74 P 4.6654 0.0000 0.0000 62.5041 31.8326 177.0098 75 R 3.8311 9.1549 120.1486 56.4207 28.8072 174.0479 76 P 4.2758 0.0000 0.0000 59.4825 33.3052 175.2800 77 E 4.3915 8.8650 122.4564 56.5253 31.3259 174.7490 78 Q 4.8989 8.2343 119.5560 54.0857 32.3660 176.6926 79 V 3.7986 8.5493 119.8133 66.2192 32.3007 177.5622 80 I 4.1450 7.2536 123.2152 60.3493 35.3511 176.0365 81 H 4.3165 8.4638 114.1965 56.4949 28.6968 174.4406 82 H 4.0481 6.4721 117.8129 55.4769 32.6828 172.2167 83 I 4.3813 7.2498 122.1287 60.3268 39.8216 173.1424 84 R 3.7717 7.1351 118.8636 56.7040 30.8824 174.7923 85 R 4.4906 8.4994 126.1929 55.3154 30.9695 175.3928 86 I 4.1884 8.4947 127.7035 59.5939 39.8519 176.1454 87 S 3.5769 8.4085 112.2241 59.5684 59.6686 170.8429 88 K 4.4625 7.6955 121.7374 53.4773 33.8276 174.9853 89 P 4.2487 0.0000 0.0000 65.9307 31.3984 177.4261 90 G 3.8361 7.9753 108.4585 43.7516 0.0000 173.5350 91 R 3.8345 7.6720 116.5118 55.9898 29.1570 173.7217 92 R 4.0960 7.6136 121.4245 55.1178 31.5813 176.0252 93 V 4.3027 7.2185 117.1821 61.7623 35.1839 173.1408 94 Y 5.6217 8.4054 123.7694 55.4614 40.9371 175.0104 95 V 5.2411 7.7532 118.7853 58.7942 33.6336 176.7453 96 G 3.9240 9.0116 115.0703 44.9308 0.0000 173.9865 97 V 3.8445 8.5541 118.2525 63.9305 31.1061 178.8744 98 K 4.0082 8.1195 118.4950 58.8745 31.9907 178.2238 99 E 3.9999 8.2658 117.8854 58.9929 29.5584 176.6601 100 I 4.0777 7.2589 118.3727 60.7085 36.9949 173.9543 101 P 4.4553 0.0000 0.0000 62.8018 32.2584 176.8780 102 R 4.5763 7.9623 118.1833 54.1283 29.6298 176.1127 103 V 3.3275 7.5049 118.8351 64.2957 33.0242 175.4556 104 R 3.3042 7.7623 126.4406 62.3446 28.0074 177.1850 105 R 3.2980 7.9748 114.2772 57.5531 27.0058 176.2932 106 G 4.3056 7.8164 119.8552 45.3587 0.0000 175.3463 107 L 3.4897 7.3590 118.8255 56.6304 42.4340 177.7225 108 G 4.0222 7.5708 109.6917 45.0295 0.0000 173.4767 109 I 4.2988 8.4954 123.2460 61.5436 40.4559 173.9604 110 A 4.5139 8.1197 118.2018 51.6846 22.0461 176.7373 111 I 4.7536 8.6556 124.7668 60.2859 39.4375 175.0840 112 L 5.0506 7.7426 123.0039 55.9166 42.1911 173.6358 113 S 4.6609 8.3949 116.5521 58.7947 63.9812 172.7978 114 T 5.1338 9.2982 113.7897 60.0901 71.9536 174.9076 115 S 4.2981 9.0201 117.2927 60.3902 63.0284 174.8209 116 K 4.6350 9.0518 118.5218 54.6847 34.0289 177.3327 117 G 3.7046 6.8121 107.5847 45.4403 0.0000 173.0842 118 V 4.7641 7.9096 122.2039 61.3414 33.3203 175.5142 119 L 5.0306 8.4739 127.1652 52.9174 45.9865 175.3920 120 T 4.8358 8.0498 108.7345 60.6467 71.2472 176.5869 121 D 4.3494 8.7621 122.1256 56.2514 39.5307 178.8754 122 R 4.2335 7.3223 118.7662 57.2694 29.9951 178.2385 123 E 3.9508 8.1831 117.4809 60.0290 29.3611 179.4556 124 A 3.9892 8.5810 120.8085 55.1439 18.4903 179.5187 125 R 3.8352 7.7150 114.9694 59.3726 30.0798 178.3063 126 K 3.8040 8.2977 118.3058 60.0140 32.2024 178.0277 127 L 4.1065 7.8377 117.6527 55.6879 42.7553 177.7936 128 G 3.9008 9.7415 105.3019 45.1038 0.0000 171.6822 129 V 4.3206 7.1084 110.3469 62.9757 36.1539 173.5243 130 G 4.1939 7.5948 105.3048 46.4565 0.0000 172.3661 131 G 4.6752 7.5441 111.4836 44.8356 0.0000 174.4671 132 E 5.3425 8.9890 132.4967 53.1950 30.2988 173.2735 133 L 4.1707 8.4332 129.6826 56.1930 42.1994 176.4976 134 I 4.2369 8.3241 127.3325 63.6338 38.4064 175.8514 135 C 5.1245 7.7065 113.8666 57.3704 32.4302 172.1200 136 E 5.0152 8.4588 118.7845 54.8128 31.7299 175.8944 137 V 4.2792 8.6890 122.4217 61.0945 34.9716 175.1321 138 W 4.9634 8.1369 124.5589 56.7506 28.2937 175.0064 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 4.13 0.00 2.14 2.26 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.48 0.00 2 L 7.99 3.11 0.00 1.78 1.76 0.97 0.66 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 3 T 8.06 3.87 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 4 D 7.58 4.93 0.00 2.67 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 5 P 0.00 4.15 0.00 2.26 2.09 0.00 3.69 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 6 I 8.26 3.75 2.14 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.60 0.91 0.00 0.00 7 A 9.06 3.87 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 8 D 7.84 4.33 0.00 2.74 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 9 M 7.79 3.93 0.00 2.14 2.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.50 0.00 10 L 8.01 3.86 0.00 1.83 1.64 0.87 0.79 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 11 T 9.04 3.76 4.42 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 1.16 0.00 0.00 12 R 8.20 3.84 0.00 1.92 2.08 0.00 3.17 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 13 I 7.80 3.64 1.95 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 1.32 0.27 0.77 0.00 0.00 14 R 7.54 3.74 0.00 1.78 1.94 0.00 3.00 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 1.51 1.54 0.00 15 N 7.90 4.28 0.00 2.84 2.82 0.00 0.00 7.11 6.98 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 16 A 7.91 4.06 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 17 T 8.22 3.54 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 0.89 0.00 0.00 18 R 7.26 3.57 0.00 1.74 1.93 0.00 3.01 0.00 0.00 3.16 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 19 V 7.18 4.19 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 0.71 0.00 0.00 1.04 0.00 0.00 20 Y 7.75 4.03 0.00 3.19 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 21 K 9.06 4.66 0.00 1.71 1.69 0.00 1.84 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.56 1.38 7.81 22 E 8.23 3.21 0.00 2.14 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 0.00 2.50 2.61 0.00 23 S 7.98 4.87 0.00 3.62 3.62 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 24 T 7.03 4.38 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 25 D 8.71 5.85 0.00 2.36 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 26 V 8.42 4.56 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 0.66 0.00 0.00 0.91 0.00 0.00 27 P 0.00 4.25 0.00 1.92 1.96 0.00 3.72 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.18 0.00 28 A 8.31 3.99 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.75 4.21 0.00 3.80 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 30 R 8.05 3.66 0.00 1.94 1.86 0.00 3.30 0.00 0.00 3.29 8.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.77 0.00 31 F 8.40 4.10 0.00 3.11 3.11 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 32 K 8.95 3.80 0.00 1.81 1.69 0.00 1.93 0.00 0.00 1.59 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.39 1.47 7.81 33 E 8.09 3.57 0.00 2.07 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 2.00 2.22 0.00 34 E 8.03 3.96 0.00 1.95 1.97 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 2.33 2.41 0.00 35 I 6.98 3.59 1.83 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 1.18 0.21 0.77 0.00 0.00 36 L 8.19 3.82 0.00 1.58 1.70 0.54 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 37 R 8.24 3.99 0.00 2.01 2.20 0.00 3.33 0.00 0.00 3.29 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.86 0.00 38 I 7.84 3.85 2.10 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.37 0.99 0.00 0.00 39 L 8.14 4.55 0.00 1.85 1.93 0.88 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 40 A 8.17 4.31 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 41 R 8.53 4.33 0.00 2.01 2.22 0.00 2.79 0.00 0.00 3.21 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.68 0.00 42 E 8.11 4.13 0.00 2.03 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 2.61 2.39 0.00 43 G 7.43 3.67 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 0.00 0.00 0.00 44 F 8.60 4.95 0.00 3.33 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 45 I 7.48 4.88 2.11 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.15 0.99 0.00 0.00 46 K 8.57 4.11 0.00 1.86 1.96 0.00 1.82 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.55 1.51 7.81 47 G 6.32 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 48 Y 7.18 5.72 0.00 3.02 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 49 E 8.99 5.78 0.00 2.24 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 0.00 2.42 2.27 0.00 50 R 8.79 4.62 0.00 1.79 1.97 0.00 3.26 0.00 0.00 3.29 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.81 0.00 51 V 8.48 4.62 2.14 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 1.08 0.00 0.00 1.00 0.00 0.00 52 D 8.58 5.13 0.00 2.55 2.56 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 0.00 0.00 0.00 0.00 53 V 8.86 4.29 2.31 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 0.89 0.00 0.00 0.86 0.00 0.00 54 D 9.23 4.20 0.00 2.93 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 55 G 8.80 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 56 K 7.64 4.47 0.00 1.84 1.52 0.00 2.00 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.36 1.42 7.81 57 P 0.00 5.19 0.00 1.85 1.97 0.00 3.55 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.09 0.00 58 Y 8.24 4.89 0.00 2.89 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 59 L 8.60 4.99 0.00 1.47 1.40 0.89 1.30 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 60 R 9.49 4.47 0.00 1.90 1.42 0.00 2.92 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 61 V 8.05 4.70 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 1.01 0.00 0.00 0.91 0.00 0.00 62 Y 7.90 4.42 0.00 3.13 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 63 L 8.34 4.32 0.00 1.70 1.32 0.99 1.07 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 64 K 8.13 4.63 0.00 2.06 1.90 0.00 1.79 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.49 7.81 65 Y 8.98 4.85 0.00 2.81 3.02 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 66 G 9.04 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 0.00 0.00 0.00 0.00 67 P 0.00 4.92 0.00 2.08 2.06 0.00 3.84 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 1.94 1.96 0.00 68 R 8.51 3.95 0.00 1.78 1.87 0.00 3.13 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 69 R 8.09 4.65 0.00 1.77 1.81 0.00 3.23 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.78 0.00 70 Q 8.73 4.43 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.64 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 71 G 9.16 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 72 P 0.00 4.04 0.00 2.06 2.10 0.00 3.69 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 2.05 2.12 0.00 73 D 8.52 4.57 0.00 2.78 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 74 P 0.00 4.67 0.00 2.17 2.09 0.00 3.81 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.95 0.00 75 R 9.15 3.83 0.00 2.02 2.26 0.00 3.29 0.00 0.00 3.64 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.64 0.00 76 P 0.00 4.28 0.00 2.15 2.01 0.00 3.08 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.61 0.00 77 E 8.87 4.39 0.00 2.13 1.93 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 2.41 2.41 0.00 78 Q 8.23 4.90 0.00 1.85 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.86 0.00 0.00 0.00 0.00 0.00 2.50 2.51 0.00 79 V 8.55 3.80 2.27 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 1.15 0.00 0.00 1.00 0.00 0.00 80 I 7.25 4.15 1.70 0.00 0.00 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 1.15 0.83 nan 0.00 0.00 81 H 8.46 4.32 0.00 2.95 3.22 0.00 5.89 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 6.47 4.05 0.00 1.40 2.16 0.00 6.03 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 83 I 7.25 4.38 1.61 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.46 0.72 0.00 0.00 84 R 7.14 3.77 0.00 1.85 1.94 0.00 3.25 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.71 0.00 85 R 8.50 4.49 0.00 1.80 1.79 0.00 3.41 0.00 0.00 3.20 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 86 I 8.49 4.19 1.86 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.04 0.90 0.00 0.00 87 S 8.41 3.58 0.00 3.78 3.94 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 0.00 0.00 0.00 88 K 7.70 4.46 0.00 1.76 1.69 0.00 1.82 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.37 1.39 7.81 89 P 0.00 4.25 0.00 2.16 2.21 0.00 3.74 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 1.99 1.99 0.00 90 G 7.98 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 91 R 7.67 3.83 0.00 1.86 2.13 0.00 3.24 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.44 0.00 92 R 7.61 4.10 0.00 1.66 1.62 0.00 3.61 0.00 0.00 3.81 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 93 V 7.22 4.30 1.93 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 0.92 0.00 0.00 0.86 0.00 0.00 94 Y 8.41 5.62 0.00 2.87 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 95 V 7.75 5.24 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 1.04 0.00 0.00 0.96 0.00 0.00 96 G 9.01 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 V 8.55 3.84 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 1.01 0.00 0.00 0.94 0.00 0.00 98 K 8.12 4.01 0.00 1.78 1.92 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.47 7.81 99 E 8.27 4.00 0.00 2.29 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 2.35 2.31 0.00 100 I 7.26 4.08 1.97 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.69 0.93 0.00 0.00 101 P 0.00 4.46 0.00 2.05 1.99 0.00 3.63 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 102 R 7.96 4.58 0.00 1.71 1.82 0.00 3.26 0.00 0.00 3.15 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 103 V 7.50 3.33 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 1.08 0.00 0.00 1.02 0.00 0.00 104 R 7.76 3.30 0.00 1.84 1.82 0.00 2.32 0.00 0.00 2.25 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.28 0.00 105 R 7.97 3.30 0.00 1.81 2.20 0.00 3.35 0.00 0.00 3.18 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.51 0.00 106 G 7.82 4.31 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 0.00 107 L 7.36 3.49 0.00 1.69 1.64 0.89 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 108 G 7.57 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 0.00 0.00 0.00 109 I 8.50 4.30 2.13 0.00 0.00 1.00 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 1.55 1.14 0.00 0.00 110 A 8.12 4.51 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 0.00 111 I 8.66 4.75 1.86 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.26 0.94 0.00 0.00 112 L 7.74 5.05 0.00 1.82 1.78 0.96 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 113 S 8.39 4.66 0.00 4.12 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 0.00 114 T 9.30 5.13 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 1.30 0.00 0.00 115 S 9.02 4.30 0.00 4.01 4.06 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 0.00 116 K 9.05 4.64 0.00 1.76 1.82 0.00 1.78 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.37 1.36 7.81 117 G 6.81 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 0.00 118 V 7.91 4.76 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 0.83 0.00 0.00 1.06 0.00 0.00 119 L 8.47 5.03 0.00 1.64 1.57 0.95 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 120 T 8.05 4.84 4.30 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 1.32 0.00 0.00 121 D 8.76 4.35 0.00 2.89 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 0.00 122 R 7.32 4.23 0.00 1.96 1.92 0.00 3.18 0.00 0.00 3.18 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 123 E 8.18 3.95 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 124 A 8.58 3.99 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 0.00 125 R 7.71 3.84 0.00 2.04 2.06 0.00 3.14 0.00 0.00 3.10 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 126 K 8.30 3.80 0.00 1.74 1.98 0.00 1.88 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.52 7.81 127 L 7.84 4.11 0.00 2.01 1.75 0.93 1.15 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 0.00 128 G 9.74 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 0.00 0.00 0.00 129 V 7.11 4.32 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 0.65 0.00 0.00 0.99 0.00 0.00 130 G 7.59 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 0.00 0.00 0.00 0.00 131 G 7.54 4.68 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 0.00 132 E 8.99 5.34 0.00 2.06 1.90 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 2.26 2.04 0.00 133 L 8.43 4.17 0.00 1.68 1.57 0.93 1.10 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 0.00 134 I 8.32 4.24 1.88 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 1.46 0.91 0.95 0.00 0.00 135 C 7.71 5.12 0.00 3.17 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 0.00 136 E 8.46 5.02 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 2.45 0.00 137 V 8.69 4.28 1.93 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 -0.04 0.00 0.00 0.78 0.00 0.00 138 W 8.14 4.96 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