NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.5354 8.3649 120.5218 53.6956 42.3032 174.5882 2 L 3.3734 7.7984 119.7643 51.8484 42.0187 174.9425 3 P 4.4344 0.0000 0.0000 61.5001 33.0921 174.0185 4 P 4.5479 0.0000 0.0000 61.7486 32.0672 174.3081 5 P 4.1241 0.0000 0.0000 62.4188 31.9063 175.4114 6 E 4.6236 8.4593 121.8156 53.6195 31.6029 173.8172 7 P 4.3742 0.0000 0.0000 62.6770 31.8352 174.8902 8 Y 4.7483 8.5891 124.8207 55.3542 40.4097 174.8042 9 V 4.1631 7.4646 125.7570 59.1394 34.1273 175.2722 10 Q 3.8995 8.0273 122.6458 56.6526 30.2194 174.8750 11 T 4.5903 8.0661 115.3516 62.2322 71.5554 173.9934 12 T 4.6354 6.0392 111.7679 60.5649 71.5486 172.6204 13 K 4.4129 8.0628 126.0946 54.7848 35.7949 176.1898 14 S 4.2589 7.7921 115.8020 57.9930 66.8720 174.0711 15 Y 4.9590 8.1079 123.0188 55.4777 40.4582 175.1515 16 P 4.2685 0.0000 0.0000 65.7196 31.9773 178.6336 17 S 4.1176 8.1281 112.4947 60.2849 62.5046 174.0568 18 K 4.5444 7.5773 119.4137 56.1346 32.0150 176.5298 19 L 4.3932 7.8467 118.5623 53.5024 43.0062 177.9905 20 A 3.8267 8.2342 118.5346 52.3643 16.2200 177.4628 21 R 4.0604 7.3212 115.5128 56.2215 30.6344 176.3775 22 N 4.3339 8.5243 119.5526 53.9361 37.8064 171.4339 23 E 3.7672 8.6605 129.3143 54.9861 29.5893 174.7824 24 S 4.0775 8.4720 116.3909 59.2971 62.8482 173.2755 25 R 3.6955 8.4949 120.4589 54.5887 25.7415 175.2481 26 G 3.8173 7.4157 107.7512 46.0623 0.0000 170.5369 27 S 4.2348 7.6598 110.2096 59.2271 63.1154 174.5657 28 G 4.7168 8.5968 127.0700 45.2007 0.0000 170.8929 29 S 5.0986 7.6392 121.8069 58.8659 65.0899 177.1325 30 G 4.1882 7.8213 109.2918 44.3087 0.0000 173.3618 31 S 4.2454 8.2604 113.4094 58.1982 63.0528 173.1355 32 L 4.6158 8.0743 124.0482 52.7398 43.1884 175.7654 33 F 3.8386 7.9160 114.2001 60.3615 39.3090 179.5210 34 S 4.3206 7.6809 119.7230 59.9407 67.5403 174.6153 35 F 5.0577 7.4414 112.2688 57.2237 44.9196 174.7955 36 L 4.1446 6.8840 129.5078 55.1861 40.7140 174.9191 37 G 4.5469 7.9006 115.3948 45.2031 0.0000 169.9917 38 K 4.4038 8.1042 123.9003 55.5137 35.1544 177.4087 39 K 4.4493 8.3452 123.3641 55.1432 33.7474 174.0437 40 C 5.6215 8.1658 119.6233 56.8829 30.6862 173.1763 41 V 4.4476 8.8606 122.4953 61.5313 33.9004 174.8049 42 T 3.9743 8.3891 122.4647 63.3433 69.5949 172.8281 43 M 4.4274 8.8525 120.9271 56.0558 33.5438 176.2356 44 S 4.8766 7.5359 110.6872 56.6306 67.4093 172.1868 45 S 5.4301 8.5815 115.9705 56.5629 65.6338 173.3244 46 A 5.1541 10.2122 125.6388 49.7221 23.0242 175.1583 47 V 4.2009 8.6913 122.7075 62.9553 32.8899 175.3395 48 V 4.7932 8.3552 119.3029 60.2608 37.0936 173.6155 49 Q 4.4979 9.4516 121.6232 53.9786 31.2409 174.9411 50 L 4.3630 7.8565 126.0197 54.8349 43.1804 175.2185 51 Y 5.2243 9.4681 123.3851 56.0766 42.5454 174.2092 52 A 5.2727 9.0804 122.8286 49.9915 22.0959 176.0655 53 A 4.0820 8.4280 125.1549 52.0428 16.1095 176.6002 54 D 4.5064 8.7385 121.9422 53.4867 43.1454 175.4065 55 R 4.1096 8.5503 120.4765 56.7996 30.3312 176.3689 56 N 4.0440 9.2462 111.5894 53.8860 36.1397 174.5781 57 C 3.7415 7.3309 113.0153 60.2269 25.5663 171.1289 58 M 4.3223 8.3219 118.6648 53.8423 35.5502 173.9591 59 W 4.8569 8.5759 124.0711 57.6021 30.3646 176.2890 60 S 4.6859 9.5844 117.2192 56.4089 64.8418 173.1305 61 K 3.2246 8.6646 128.9353 56.7434 31.8927 175.7398 62 K 4.3619 8.2225 127.3373 57.4537 34.6725 176.3232 63 C 4.8071 7.0826 113.3287 59.5421 32.0773 173.9300 64 S 4.7743 9.3975 119.5025 55.9472 65.8699 174.4216 65 G 3.7927 7.0078 106.5500 46.4256 0.0000 170.8371 66 V 4.1152 7.3353 120.9436 61.7887 32.6250 176.2952 67 A 4.8148 8.3219 129.6480 50.0701 21.0648 174.6918 68 C 5.0356 8.9965 114.0217 56.4968 33.9382 172.8206 69 L 4.6598 8.5814 123.7130 54.0799 42.9692 175.3331 70 V 4.7835 8.3341 126.7509 61.3464 34.0225 174.6392 71 K 5.2080 9.9036 125.6134 55.3590 36.1200 174.7135 72 D 5.0077 10.2677 124.7678 53.3849 41.5163 177.2862 73 N 4.3794 8.9646 122.3079 55.6221 39.1620 175.2073 74 P 4.4177 0.0000 0.0000 65.7248 31.8098 177.6168 75 Q 3.9694 8.0130 116.7528 56.5182 29.4228 175.7132 76 R 3.7597 8.3740 114.8677 55.9444 26.5470 174.7697 77 S 4.0064 6.9067 111.2515 57.4441 66.9277 174.1438 78 Y 4.8382 7.3567 116.9539 56.2083 41.6438 174.7686 79 F 4.9410 8.8992 121.1922 55.4931 43.4515 173.4101 80 L 5.0580 8.4959 124.9851 53.4818 43.9414 175.3489 81 R 5.0035 8.5502 124.5896 54.5595 34.9685 174.1836 82 I 4.9387 9.4279 122.0787 59.4786 41.0105 174.5860 83 F 5.5944 7.9596 120.5222 54.9492 41.0138 174.3691 84 D 4.8659 9.5286 121.3644 54.5363 42.1620 176.3273 85 I 4.3728 8.4404 120.5301 60.8860 39.1790 176.0121 86 K 4.4020 8.5882 118.1359 58.0572 33.6012 176.6923 87 D 4.5191 8.5450 115.3270 53.7239 41.8387 175.7558 88 G 4.6224 8.0626 106.2965 46.9323 0.0000 171.9902 89 K 4.7928 7.5481 115.6267 53.6014 37.5540 176.0096 90 L 4.6706 8.5745 123.5212 55.7384 41.7810 176.3051 91 L 4.7954 8.9701 125.6818 54.8669 44.0337 176.3703 92 W 5.1333 8.0153 126.9123 56.4440 34.0935 172.8770 93 E 4.4288 7.5417 122.7255 54.8470 32.1056 173.9255 94 Q 4.1917 8.7492 125.2758 54.2789 32.4704 174.0902 95 E 4.9067 8.7800 126.1206 53.9792 28.8797 175.0684 96 L 3.4533 7.2298 123.7543 54.6800 42.6117 176.0802 97 Y 5.2154 7.0393 118.2282 54.5150 41.0699 174.4917 98 N 4.1478 9.1225 119.0712 54.3167 40.1981 173.9845 99 N 4.1842 8.5953 116.7163 54.2620 35.9276 173.8876 100 F 4.7671 7.9110 119.6263 57.0129 41.0881 174.8342 101 V 4.3198 7.5487 125.8027 59.6780 34.2228 174.1060 102 Y 4.6377 8.2458 121.3157 55.8513 40.6097 174.7151 103 N 4.7519 8.3369 125.1137 52.7506 40.1012 175.5916 104 S 4.9346 7.8792 114.7214 57.3266 63.6501 173.1285 105 P 4.1880 0.0000 0.0000 64.5312 32.1193 176.4516 106 R 4.6752 7.1256 119.3214 54.4048 32.6701 175.2247 107 G 3.9700 8.7575 106.4899 48.4935 0.0000 174.5622 108 Y 5.0456 7.6471 118.6946 55.6941 38.0920 175.3913 109 F 4.3941 8.2370 121.9402 58.1842 42.0043 172.9749 110 H 5.4476 8.3237 123.9119 53.4567 31.0612 174.3110 111 T 5.0053 8.2206 111.1680 60.1482 71.7797 172.5573 112 F 5.0562 8.5768 116.5082 55.9096 42.2396 172.5052 113 A 3.5728 8.3538 122.5755 50.6669 19.2158 177.9072 114 G 4.3124 6.8747 111.8526 43.0940 0.0000 172.3840 115 D 4.4374 8.3906 117.0836 57.7132 41.2305 176.9930 116 T 4.8298 7.8173 106.8809 61.0418 70.7528 173.0950 117 C 5.0941 7.8545 119.1481 57.9339 31.9086 172.2583 118 Q 4.2897 8.4241 122.4852 55.7877 30.0816 174.9550 119 V 4.8421 7.6790 117.9870 59.6831 36.3939 174.2328 120 A 4.9867 9.8383 125.8085 49.8313 22.9355 174.8182 121 L 4.5209 8.1669 119.2308 53.5280 43.3970 175.0304 122 N 4.4966 8.0254 120.1958 51.3669 41.5450 173.8796 123 F 4.4385 8.0382 125.0502 57.3009 39.4226 175.7482 124 A 4.2203 9.2720 124.0241 53.9664 18.9483 177.6160 125 N 5.0047 7.7973 112.7123 51.2660 42.4094 174.7495 126 E 3.9779 8.5697 123.1819 59.4215 29.8153 178.6656 127 E 3.9041 8.1151 118.1051 59.8142 29.0626 179.1187 128 E 3.5698 8.2684 117.4256 59.4090 29.4106 179.2311 129 A 2.5800 7.2014 119.3296 53.9640 18.4969 179.6047 130 K 3.9013 8.2315 118.9145 59.5321 32.2825 179.3123 131 K 4.0516 8.9264 119.9569 59.5395 32.3502 178.9465 132 F 3.7655 7.8373 121.8045 61.3046 39.3203 177.0852 133 R 4.2181 8.3556 118.3889 59.3939 29.8284 178.3890 134 K 4.1206 8.5438 120.6675 58.6895 32.0658 178.7549 135 A 3.8401 8.1101 121.4958 55.1347 18.2646 179.4070 136 V 3.2901 7.7773 117.1289 66.3269 31.3844 177.9141 137 T 3.9315 8.2170 109.5782 65.3263 68.3680 175.5246 138 D 4.3489 8.3091 122.3570 56.8119 40.7374 178.8990 139 L 3.8470 8.0431 120.8557 58.1831 41.9086 178.9812 140 L 4.1548 8.3966 118.6835 57.6654 41.5720 179.5357 141 G 3.7323 8.9424 105.9385 47.8024 0.0000 175.4459 142 R 3.9180 8.0472 120.3383 59.5857 30.5894 177.0835 143 R 3.1848 9.0628 116.4853 58.9155 31.1263 175.3266 144 Q 3.5707 8.7088 116.2444 56.9418 30.0570 174.6085 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 D 8.36 4.54 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 2 L 7.80 3.37 0.00 1.41 0.58 0.53 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 3 P 0.00 4.43 0.00 2.17 1.92 0.00 2.20 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.60 0.00 4 P 0.00 4.55 0.00 2.23 2.11 0.00 3.82 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.97 0.00 5 P 0.00 4.12 0.00 1.63 0.49 0.00 3.58 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.09 0.00 6 E 8.46 4.62 0.00 2.04 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 2.25 2.31 0.00 7 P 0.00 4.37 0.00 2.17 2.05 0.00 3.74 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.93 0.00 8 Y 8.59 4.75 0.00 2.83 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 9 V 7.46 4.16 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 0.64 0.00 0.00 0.82 0.00 0.00 10 Q 8.03 3.90 0.00 1.91 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.92 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 11 T 8.07 4.59 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 12 T 6.04 4.64 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 1.15 0.00 0.00 13 K 8.06 4.41 0.00 1.63 1.41 0.00 1.85 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.13 1.22 7.81 14 S 7.79 4.26 0.00 3.70 3.66 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 15 Y 8.11 4.96 0.00 3.05 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 16 P 0.00 4.27 0.00 2.23 2.32 0.00 3.82 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.97 0.00 17 S 8.13 4.12 0.00 3.91 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 K 7.58 4.54 0.00 2.01 1.98 0.00 1.85 0.00 0.00 1.91 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.43 7.81 19 L 7.85 4.39 0.00 1.98 1.70 1.03 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 20 A 8.23 3.83 1.41 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 0.00 0.00 21 R 7.32 4.06 0.00 1.86 1.86 0.00 3.36 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 22 N 8.52 4.33 0.00 2.74 2.81 0.00 0.00 7.01 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 23 E 8.66 3.77 0.00 2.13 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 2.21 2.28 0.00 24 S 8.47 4.08 0.00 3.79 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 25 R 8.49 3.70 0.00 2.01 2.00 0.00 3.33 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 26 G 7.42 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 S 7.66 4.23 0.00 3.79 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 28 G 8.60 4.72 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 29 S 7.64 5.10 0.00 4.11 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 30 G 7.82 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 31 S 8.26 4.25 0.00 3.90 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 32 L 8.07 4.62 0.00 1.72 1.64 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 33 F 7.92 3.84 0.00 2.90 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 34 S 7.68 4.32 0.00 3.72 3.54 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.44 5.06 0.00 3.15 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 36 L 6.88 4.14 0.00 1.80 1.75 1.01 0.44 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 37 G 7.90 4.55 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 0.00 0.00 0.00 38 K 8.10 4.40 0.00 1.70 1.65 0.00 1.53 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.24 1.32 7.81 39 K 8.35 4.45 0.00 1.70 1.73 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.77 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.43 7.81 40 C 8.17 5.62 0.00 2.82 2.94 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 41 V 8.86 4.45 2.08 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 1.04 0.00 0.00 0.93 0.00 0.00 42 T 8.39 3.97 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 1.25 0.00 0.00 43 M 8.85 4.43 0.00 1.72 2.04 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.35 0.00 44 S 7.54 4.88 0.00 3.70 3.43 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.58 5.43 0.00 4.07 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 46 A 10.21 5.15 1.67 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 47 V 8.69 4.20 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 0.88 0.00 0.00 0.93 0.00 0.00 48 V 8.36 4.79 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 0.46 0.00 0.00 49 Q 9.45 4.50 0.00 2.01 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 7.09 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 50 L 7.86 4.36 0.00 1.37 1.35 0.78 -0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 51 Y 9.47 5.22 0.00 2.96 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 52 A 9.08 5.27 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 53 A 8.43 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 D 8.74 4.51 0.00 3.02 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 55 R 8.55 4.11 0.00 1.88 1.86 0.00 3.31 0.00 0.00 3.32 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.65 0.00 56 N 9.25 4.04 0.00 2.77 2.82 0.00 0.00 6.98 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 C 7.33 3.74 0.00 2.95 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 58 M 8.32 4.32 0.00 1.92 2.06 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.60 0.00 59 W 8.58 4.86 0.00 3.07 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 60 S 9.58 4.69 0.00 3.93 3.74 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 61 K 8.66 3.22 0.00 0.79 1.14 0.00 1.63 0.00 0.00 1.47 0.00 0.00 2.60 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.09 1.08 7.81 62 K 8.22 4.36 0.00 1.68 1.75 0.00 1.98 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.38 7.81 63 C 7.08 4.81 0.00 2.87 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 64 S 9.40 4.77 0.00 3.77 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 65 G 7.01 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 V 7.34 4.12 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 1.19 0.00 0.00 0.96 0.00 0.00 67 A 8.32 4.81 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 68 C 9.00 5.04 0.00 3.24 3.38 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 69 L 8.58 4.66 0.00 1.52 1.35 0.70 0.49 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 70 V 8.33 4.78 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 1.06 0.00 0.00 0.94 0.00 0.00 71 K 9.90 5.21 0.00 1.90 1.72 0.00 1.22 0.00 0.00 1.61 0.00 0.00 2.87 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.30 1.46 7.81 72 D 10.27 5.01 0.00 2.84 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 73 N 8.96 4.38 0.00 2.73 2.88 0.00 0.00 7.23 8.03 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 74 P 0.00 4.42 0.00 2.17 2.17 0.00 3.75 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.98 0.00 75 Q 8.01 3.97 0.00 2.32 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.68 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 76 R 8.37 3.76 0.00 1.91 1.94 0.00 3.29 0.00 0.00 3.25 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.77 0.00 77 S 6.91 4.01 0.00 3.30 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 78 Y 7.36 4.84 0.00 2.44 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 79 F 8.90 4.94 0.00 2.82 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 80 L 8.50 5.06 0.00 1.72 1.61 1.01 1.35 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 81 R 8.55 5.00 0.00 2.06 1.76 0.00 3.02 0.00 0.00 3.08 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.58 0.00 82 I 9.43 4.94 2.20 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.15 0.83 0.00 0.00 83 F 7.96 5.59 0.00 3.05 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 84 D 9.53 4.87 0.00 2.75 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 85 I 8.44 4.37 1.89 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 1.44 1.05 0.92 0.00 0.00 86 K 8.59 4.40 0.00 1.76 1.82 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.34 7.81 87 D 8.54 4.52 0.00 2.90 2.70 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 88 G 8.06 4.62 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 0.00 0.00 0.00 89 K 7.55 4.79 0.00 1.70 1.70 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.55 7.81 90 L 8.57 4.67 0.00 1.67 1.60 0.88 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 91 L 8.97 4.80 0.00 1.59 1.73 1.01 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 92 W 8.02 5.13 0.00 3.35 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 93 E 7.54 4.43 0.00 1.71 1.65 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 1.93 2.05 0.00 94 Q 8.75 4.19 0.00 0.93 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.22 0.00 0.00 0.00 0.00 0.00 2.46 2.35 0.00 95 E 8.78 4.91 0.00 1.80 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 0.00 0.00 0.00 2.29 2.26 0.00 96 L 7.23 3.45 0.00 0.98 0.48 0.23 0.04 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 97 Y 7.04 5.22 0.00 3.09 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 98 N 9.12 4.15 0.00 2.78 2.92 0.00 0.00 7.32 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 99 N 8.60 4.18 0.00 2.92 2.90 0.00 0.00 6.93 7.50 0.00 0.00 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 F 7.91 4.77 0.00 3.06 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 0.00 101 V 7.55 4.32 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 0.79 0.00 0.00 0.92 0.00 0.00 102 Y 8.25 4.64 0.00 2.69 2.83 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 0.00 103 N 8.34 4.75 0.00 2.98 2.67 0.00 0.00 6.67 7.14 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 0.00 104 S 7.88 4.93 0.00 3.90 3.56 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 0.00 105 P 0.00 4.19 0.00 2.21 2.22 0.00 3.91 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 106 R 7.13 4.68 0.00 1.66 1.89 0.00 3.18 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.47 0.00 107 G 8.76 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 0.00 108 Y 7.65 5.05 0.00 3.13 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 F 8.24 4.39 0.00 2.36 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 0.00 110 H 8.32 5.45 0.00 2.64 2.61 0.00 5.63 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.22 5.01 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 1.20 0.00 0.00 112 F 8.58 5.06 0.00 3.25 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 0.00 113 A 8.35 3.57 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 0.00 114 G 6.87 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 0.00 115 D 8.39 4.44 0.00 2.77 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 0.00 116 T 7.82 4.83 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 1.29 0.00 0.00 117 C 7.85 5.09 0.00 3.02 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 0.00 118 Q 8.42 4.29 0.00 2.19 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 119 V 7.68 4.84 2.16 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 0.98 0.00 0.00 0.59 0.00 0.00 120 A 9.84 4.99 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 0.00 121 L 8.17 4.52 0.00 0.84 1.07 0.38 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 122 N 8.03 4.50 0.00 2.41 2.49 0.00 0.00 6.99 7.23 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 0.00 123 F 8.04 4.44 0.00 3.05 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 0.00 124 A 9.27 4.22 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 0.00 125 N 7.80 5.00 0.00 2.69 2.60 0.00 0.00 6.88 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 0.00 126 E 8.57 3.98 0.00 1.86 1.83 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 2.37 2.44 0.00 127 E 8.12 3.90 0.00 2.01 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 2.39 2.40 0.00 128 E 8.27 3.57 0.00 2.01 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 2.46 2.42 0.00 129 A 7.20 2.58 0.98 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 0.00 0.00 130 K 8.23 3.90 0.00 1.91 1.80 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.46 7.81 131 K 8.93 4.05 0.00 1.98 2.04 0.00 1.35 0.00 0.00 1.53 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.66 7.81 132 F 7.84 3.77 0.00 2.88 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 R 8.36 4.22 0.00 2.13 2.02 0.00 3.15 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.77 0.00 134 K 8.54 4.12 0.00 2.15 1.78 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.33 7.81 135 A 8.11 3.84 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 0.00 136 V 7.78 3.29 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 0.95 0.00 0.00 0.42 0.00 0.00 137 T 8.22 3.93 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 1.26 0.00 0.00 138 D 8.31 4.35 0.00 3.03 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 0.00 139 L 8.04 3.85 0.00 1.77 1.38 0.66 -0.16 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 0.00 140 L 8.40 4.15 0.00 1.83 1.76 1.05 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 141 G 8.94 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 0.00 142 R 8.05 3.92 0.00 1.99 1.98 0.00 3.39 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 143 R 9.06 3.18 0.00 2.05 1.89 0.00 3.47 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 144 Q 8.71 3.57 0.00 2.13 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 6.43 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00