NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.9062 8.3016 109.1140 44.9771 0.0000 174.0205 4 D 4.2087 8.4653 124.0547 53.5358 42.6358 175.4067 5 K 3.9198 9.4678 127.8072 59.7484 32.5874 179.1947 6 K 4.1166 8.0900 118.1872 59.1086 32.0380 179.3498 7 V 3.6778 8.3046 118.7569 66.2424 31.4103 178.0475 8 I 3.7297 7.9369 119.4615 64.5737 37.0512 178.4124 9 Q 3.9752 8.2132 118.7315 59.2833 28.4923 178.6228 10 H 4.1712 8.5188 117.5030 58.8520 28.7646 177.8063 11 L 4.0208 8.4552 121.0905 58.0618 41.4372 179.4108 12 N 4.5212 8.6126 116.6578 55.9636 38.3549 177.3820 13 K 3.9600 7.8908 120.8924 59.2247 32.3714 178.8086 14 I 3.6854 8.1338 120.5832 64.2757 36.9551 177.9484 15 L 4.0365 8.4635 121.5710 58.3065 42.0477 179.1462 16 G 3.6873 8.2621 105.5967 48.0832 0.0000 175.2737 17 N 4.3797 8.1972 118.6166 56.1824 38.4713 177.3869 18 E 3.9970 8.3003 120.0347 59.3764 29.3921 179.4290 19 L 3.9536 8.2229 119.3123 57.5543 41.5526 179.6169 20 I 3.6358 7.6253 119.1842 64.3465 37.1006 178.2742 21 A 3.2735 7.8827 121.4756 54.8136 18.0969 179.4340 22 I 3.6013 7.7529 118.4773 64.8869 37.2617 178.4206 23 N 4.3474 7.7473 116.9903 56.2303 38.3764 177.4240 24 Q 3.8218 8.0342 121.0423 59.4565 29.0931 177.9174 25 Y 4.7681 7.9345 119.5416 60.6551 37.8936 178.2081 26 F 3.9149 8.5435 121.7759 61.0038 39.3852 177.0621 27 L 4.0015 8.1782 120.1407 58.3710 41.8985 178.4923 28 H 3.7803 8.2193 116.2113 58.7468 28.5402 177.3768 29 S 4.3462 8.3291 115.0725 61.9640 62.1212 176.7506 30 R 3.9068 7.8232 120.1216 58.9774 29.7071 179.1335 31 M 3.4559 7.9332 119.0906 57.9698 31.7898 178.6913 32 W 4.4627 8.0207 119.4142 59.8654 29.2189 178.3311 33 N 4.3542 8.6103 116.8595 56.4652 37.7865 176.9481 34 D 4.3706 8.0951 118.5530 56.8559 41.3757 177.4823 35 W 4.8644 7.9455 116.8131 56.5985 29.3041 177.0034 36 G 3.9827 8.0562 107.2150 46.1700 0.0000 175.1756 37 L 4.6311 8.0512 122.1866 53.2569 40.3093 177.4833 38 K 4.1016 8.5545 121.7242 58.9811 32.4074 178.9280 39 R 3.8702 7.9661 119.4542 59.2565 29.9560 178.5787 40 L 3.8748 7.7374 118.6191 57.2918 41.5708 179.2718 41 G 3.8140 8.2038 105.5658 47.9092 0.0000 175.5392 42 A 4.0001 8.2281 123.7893 55.0989 18.4484 179.1233 43 H 3.9804 8.2316 116.8112 59.4537 29.5848 177.0497 44 E 4.0054 8.3479 121.1271 59.0506 29.4358 177.9625 45 Y 4.0403 8.1287 119.7714 60.9973 38.7441 177.7989 46 H 3.9570 8.1021 116.9503 59.0028 28.9235 177.5469 47 E 3.7992 8.1339 120.2388 59.2856 29.0934 179.4967 48 S 4.2577 8.0785 113.0755 61.6015 62.5720 176.0429 49 I 3.5817 7.6350 122.6655 64.7141 36.7925 178.1239 50 D 4.2813 8.3111 119.7354 57.3766 40.5677 178.7412 51 E 4.1580 8.1117 118.8820 59.4701 29.4402 179.0620 52 M 4.0278 8.3051 119.1370 58.5360 32.1425 179.0169 53 K 4.0224 8.0610 118.4844 59.6014 32.1086 179.1596 54 H 4.2757 8.1317 116.4434 58.7669 28.5939 177.6250 55 A 3.9892 8.2171 122.6588 55.0747 18.1251 178.9569 56 D 4.2699 8.0483 116.5240 57.6972 41.2526 178.8285 57 K 3.9762 7.9258 118.2637 59.4112 31.9403 179.3438 58 L 4.0133 8.3119 119.6062 57.7996 41.5048 179.5999 59 I 3.7041 8.2204 120.0682 64.5128 37.1036 178.2996 60 E 3.9859 8.4263 119.5687 59.4314 29.2821 179.4991 61 R 4.0182 8.2541 118.7549 59.4492 30.1963 178.5647 62 I 3.7209 8.0611 119.8334 64.4610 37.1381 178.3207 63 L 4.0103 8.1285 119.8123 57.7578 41.2229 179.2647 64 F 4.3141 8.0968 119.4256 61.4084 39.1468 176.5857 65 L 3.8390 7.8939 115.9009 54.6407 41.1014 177.4500 66 E 3.6011 7.7812 117.6522 57.1894 27.0704 174.7468 67 G 3.8791 7.8617 108.1605 44.4097 0.0000 173.8271 68 L 4.5399 8.0009 119.0062 52.0319 42.3198 175.2342 69 P 4.3973 0.0000 0.0000 62.3430 31.8458 175.7787 70 N 4.7168 9.2111 122.3733 52.4115 38.8411 174.1985 71 L 4.6431 8.3717 124.2524 54.5431 42.8236 177.2267 72 Q 4.0780 8.1458 120.5660 57.7491 29.5475 175.1900 73 D 4.5387 8.3510 118.5377 53.0545 40.6451 175.5299 74 L 4.5011 8.3110 127.0057 52.8555 43.3938 176.5270 75 G 3.8788 8.3205 115.9620 44.3568 0.0000 171.6456 76 K 4.1191 8.3135 120.5273 55.8195 32.6876 176.5403 77 L 4.2329 8.3360 126.4203 54.1597 42.4265 177.0512 78 L 4.3733 8.5427 124.3706 53.5164 40.5140 174.9979 79 I 4.3039 8.0154 123.7357 59.6043 38.2014 176.6136 80 G 4.0240 8.5955 114.6131 44.8322 0.0000 172.7467 81 E 4.7044 8.7329 117.0922 56.0986 30.9661 176.0529 82 N 4.9266 7.6606 115.9219 50.6686 41.7149 175.1449 83 T 4.4167 8.5579 116.4602 67.0429 68.5816 176.4129 84 Q 3.9957 8.2538 120.8768 59.5015 29.0443 178.2258 85 E 4.1129 8.9602 119.6829 59.2937 29.5535 179.0431 86 M 3.9313 8.3088 118.9976 58.3063 31.9363 178.7549 87 L 4.1555 8.2654 119.0367 57.9238 41.7942 179.3126 88 Q 3.9960 7.9797 118.9506 59.4551 28.9024 178.0408 89 C 4.1753 8.3444 117.7418 63.0593 28.1430 175.9044 90 D 4.6426 8.3223 120.3828 57.3832 40.3662 178.5900 91 L 3.9729 8.4413 121.2334 58.2857 42.0982 178.8215 92 N 4.3478 8.6423 116.8719 56.1312 38.3924 177.0837 93 L 3.9809 8.3369 122.1027 58.4301 42.3467 179.0278 94 E 4.0706 8.4762 118.4933 59.1408 29.2549 179.3109 95 L 4.0130 8.2620 119.5387 57.5481 41.7142 179.2657 96 K 3.8597 8.0559 119.2775 59.6395 32.1795 178.4164 97 A 4.0445 8.2501 121.0889 55.7759 18.1914 179.8053 98 T 3.9349 7.9042 113.6707 66.2768 68.6286 177.0753 99 K 3.9122 7.8795 121.3379 59.8066 32.2699 178.5372 100 D 4.4361 8.1423 119.0374 57.4158 40.6107 179.0000 101 L 4.0178 8.0520 119.4414 57.7810 41.6565 179.5869 102 R 3.9342 8.1532 118.0827 59.4673 30.0116 179.0412 103 E 3.9657 8.1457 117.5481 59.1261 29.3946 179.0020 104 A 3.6435 8.3338 121.3109 55.3318 18.3327 179.8168 105 I 3.6189 8.0907 118.4426 64.3284 37.1794 178.4410 106 V 3.5711 7.7918 119.2558 66.6264 31.2525 177.6317 107 H 4.0701 8.1415 117.3829 59.3538 29.6625 176.6344 108 C 3.8525 8.1350 118.7565 63.0005 28.0007 175.8828 109 E 3.8992 8.4125 120.7394 59.4772 29.0428 178.5901 110 Q 3.9733 7.8650 118.0868 58.5355 29.0433 177.7765 111 V 3.9442 7.1674 110.5026 60.3574 31.9799 175.3446 112 H 2.8873 7.5651 114.1585 57.0335 26.7641 176.2412 113 D 4.5216 7.5579 120.3027 53.4350 38.4509 175.2498 114 Y 4.3503 7.5002 121.5576 60.3123 38.4012 177.5868 115 V 3.6682 7.8763 119.1523 66.0352 31.7780 178.0999 116 S 4.1453 8.4430 115.0115 61.4303 62.5870 176.4039 117 R 3.8968 8.0629 121.4282 59.6496 29.8054 177.8630 118 D 4.3366 8.2646 117.5979 57.3119 41.2013 177.8516 119 L 3.9373 8.0723 120.7224 58.4476 42.0072 179.0644 120 L 4.0984 7.9985 118.5782 57.2717 41.4713 179.3145 121 K 3.9622 8.4401 120.3598 59.5052 32.1200 178.6531 122 D 4.3426 8.1496 119.2883 57.3039 40.6505 178.7348 123 I 3.4480 7.6768 120.3082 64.1418 37.0136 178.0286 124 L 3.9167 8.1599 121.4652 58.3069 41.9163 178.5751 125 E 3.9125 8.4030 119.2924 59.5288 29.5335 178.8126 126 S 4.1933 8.0339 113.0419 61.2468 62.4079 175.9940 127 E 4.0999 8.5431 121.7809 59.3822 29.2324 179.0354 128 E 4.0792 8.5727 118.9803 59.4546 29.4855 179.1897 129 E 4.0433 8.3810 118.6736 59.7208 29.5062 178.9436 130 H 4.3607 8.2865 118.2694 59.2657 29.8857 177.2406 131 I 3.7081 8.2965 122.1747 64.4248 36.9358 177.7191 132 D 4.3253 8.2333 118.6601 57.5649 41.0102 177.5829 133 Y 4.1138 8.0274 119.8478 60.7800 38.7862 178.2641 134 L 3.7268 8.1553 119.6124 57.9437 41.8372 179.1906 135 E 3.9286 8.4696 118.8525 59.8965 29.3198 179.8138 136 T 3.8558 7.7365 115.6326 66.6101 68.5400 176.8873 137 Q 3.8252 7.8962 120.1416 58.8298 28.5113 178.9032 138 L 3.8958 7.7474 120.1147 57.7016 41.6769 179.8715 139 G 3.5746 8.0786 105.5560 47.4392 0.0000 175.8818 140 L 4.0220 7.8837 121.4512 57.6904 41.6162 179.3194 141 I 3.5582 7.3430 119.7320 64.6294 36.7817 178.4784 142 Q 3.9790 7.5505 117.4527 58.6978 28.5792 178.4551 143 K 4.2291 7.9449 118.2132 57.8269 32.5119 178.5530 144 V 4.2591 8.3517 110.4276 59.5646 33.2660 176.5555 145 G 4.1492 7.7018 105.6835 45.8172 0.0000 174.3984 146 L 3.9745 8.5242 122.4103 58.1509 42.1404 179.2964 147 E 3.9708 8.1982 117.8716 59.7170 29.4208 179.0975 148 N 4.3845 8.1216 115.9087 56.2236 38.4675 176.6754 149 Y 3.9712 8.0016 120.1953 60.7441 39.1360 177.9840 150 L 4.0688 8.2938 120.0795 57.7233 41.7901 179.1411 151 Q 3.8978 8.0746 119.5064 59.3658 28.8258 178.3152 152 S 4.3128 7.9564 113.3736 60.1369 63.0091 174.4373 153 H 4.6438 7.8060 118.6540 55.6599 29.7883 175.8797 154 M 4.1106 8.1035 121.9778 58.3112 31.9588 176.0734 155 H 5.1543 7.6065 113.9658 53.7678 30.6801 174.8570 156 E 4.1307 8.7270 121.6762 56.8129 29.2462 176.8728 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 3 G 8.30 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 4 D 8.47 4.21 0.00 2.85 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 5 K 9.47 3.92 0.00 1.82 1.83 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.52 7.81 6 K 8.09 4.12 0.00 1.96 1.62 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.46 7.81 7 V 8.30 3.68 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 1.02 0.00 0.00 1.02 0.00 0.00 8 I 7.94 3.73 2.02 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 1.52 0.56 0.90 0.00 0.00 9 Q 8.21 3.98 0.00 2.13 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.60 0.00 10 H 8.52 4.17 0.00 3.34 3.33 0.00 5.62 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 11 L 8.46 4.02 0.00 1.79 1.74 0.96 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.61 4.52 0.00 2.80 2.86 0.00 0.00 6.71 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 13 K 7.89 3.96 0.00 1.91 1.95 0.00 1.62 0.00 0.00 1.66 0.00 0.00 3.13 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.47 7.81 14 I 8.13 3.69 2.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.77 0.93 0.00 0.00 15 L 8.46 4.04 0.00 1.81 1.88 0.92 1.15 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 16 G 8.26 3.69 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 0.00 17 N 8.20 4.38 0.00 2.97 2.89 0.00 0.00 7.02 7.77 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 18 E 8.30 4.00 0.00 2.15 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 0.00 2.60 2.53 0.00 19 L 8.22 3.95 0.00 1.78 1.68 0.90 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.63 3.64 1.96 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.68 0.87 0.00 0.00 21 A 7.88 3.27 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 I 7.75 3.60 1.97 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.77 0.89 0.00 0.00 23 N 7.75 4.35 0.00 2.71 2.82 0.00 0.00 6.75 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 24 Q 8.03 3.82 0.00 1.96 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 25 Y 7.93 4.77 0.00 3.04 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 26 F 8.54 3.91 0.00 3.33 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 27 L 8.18 4.00 0.00 1.85 1.61 0.89 0.95 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 28 H 8.22 3.78 0.00 3.49 2.81 0.00 5.71 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.33 4.35 0.00 3.99 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 30 R 7.82 3.91 0.00 2.01 1.90 0.00 2.99 0.00 0.00 2.71 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.68 0.00 31 M 7.93 3.46 0.00 0.77 1.62 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.16 0.00 32 W 8.02 4.46 0.00 3.66 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 33 N 8.61 4.35 0.00 2.84 2.85 0.00 0.00 6.65 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 D 8.10 4.37 0.00 2.55 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 35 W 7.95 4.86 0.00 3.53 3.16 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 36 G 8.06 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 0.00 0.00 0.00 37 L 8.05 4.63 0.00 1.96 1.62 1.30 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.55 4.10 0.00 1.98 2.01 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.48 7.81 39 R 7.97 3.87 0.00 2.01 1.94 0.00 3.13 0.00 0.00 2.88 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 40 L 7.74 3.87 0.00 1.16 0.13 0.28 0.15 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 41 G 8.20 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 0.00 0.00 0.00 42 A 8.23 4.00 1.37 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 0.00 0.00 0.00 43 H 8.23 3.98 0.00 3.25 3.27 0.00 5.78 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.35 4.01 0.00 2.54 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 0.00 2.81 2.70 0.00 45 Y 8.13 4.04 0.00 3.00 3.04 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 46 H 8.10 3.96 0.00 3.32 3.22 0.00 5.87 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 47 E 8.13 3.80 0.00 1.91 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.11 0.00 48 S 8.08 4.26 0.00 4.18 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 49 I 7.63 3.58 1.81 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 1.01 -0.00 0.83 0.00 0.00 50 D 8.31 4.28 0.00 2.78 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 51 E 8.11 4.16 0.00 2.19 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 0.00 2.76 2.71 0.00 52 M 8.31 4.03 0.00 2.02 2.26 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.57 0.00 53 K 8.06 4.02 0.00 1.84 1.81 0.00 1.60 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.63 7.81 54 H 8.13 4.28 0.00 3.36 3.35 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 55 A 8.22 3.99 1.37 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 0.00 0.00 0.00 56 D 8.05 4.27 0.00 2.94 2.84 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 57 K 7.93 3.98 0.00 2.03 1.87 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.50 7.81 58 L 8.31 4.01 0.00 1.85 1.74 0.99 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.22 3.70 2.03 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.68 0.92 0.00 0.00 60 E 8.43 3.99 0.00 2.14 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 0.00 2.34 2.46 0.00 61 R 8.25 4.02 0.00 2.04 2.12 0.00 3.33 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.81 0.00 62 I 8.06 3.72 2.01 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 1.54 0.82 0.97 0.00 0.00 63 L 8.13 4.01 0.00 2.06 1.78 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 64 F 8.10 4.31 0.00 2.94 3.33 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.89 3.84 0.00 1.85 1.59 0.95 0.95 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 66 E 7.78 3.60 0.00 2.07 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 0.00 2.16 2.12 0.00 67 G 7.86 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 0.00 0.00 0.00 0.00 0.00 0.00 68 L 8.00 4.54 0.00 1.62 1.61 0.91 1.00 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 69 P 0.00 4.40 0.00 2.04 1.99 0.00 3.65 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 70 N 9.21 4.72 0.00 2.63 2.83 0.00 0.00 7.04 7.44 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 71 L 8.37 4.64 0.00 1.61 1.62 0.92 0.95 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 72 Q 8.15 4.08 0.00 1.97 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.73 6.97 0.00 0.00 0.00 0.00 0.00 2.29 2.42 0.00 73 D 8.35 4.54 0.00 2.70 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 74 L 8.31 4.50 0.00 1.52 1.52 0.88 1.07 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 75 G 8.32 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 0.00 0.00 0.00 0.00 0.00 0.00 76 K 8.31 4.12 0.00 1.70 1.72 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.42 1.51 7.81 77 L 8.34 4.23 0.00 1.63 1.54 0.87 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.54 4.37 0.00 1.80 1.68 1.02 0.72 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 79 I 8.02 4.30 1.88 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.78 0.92 0.00 0.00 80 G 8.60 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 81 E 8.73 4.70 0.00 2.14 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 2.30 2.25 0.00 82 N 7.66 4.93 0.00 2.85 2.80 0.00 0.00 6.25 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 83 T 8.56 4.42 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 84 Q 8.25 4.00 0.00 2.17 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.93 0.00 0.00 0.00 0.00 0.00 2.43 2.51 0.00 85 E 8.96 4.11 0.00 2.33 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 0.00 2.35 2.45 0.00 86 M 8.31 3.93 0.00 1.40 2.19 0.00 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 1.91 0.00 87 L 8.27 4.16 0.00 1.92 1.76 0.95 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 7.98 4.00 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.48 0.00 89 C 8.34 4.18 0.00 3.34 3.19 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 90 D 8.32 4.64 0.00 3.03 2.80 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 91 L 8.44 3.97 0.00 1.83 1.88 0.93 0.57 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 92 N 8.64 4.35 0.00 2.94 2.88 0.00 0.00 6.68 6.28 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 93 L 8.34 3.98 0.00 1.94 1.96 0.92 0.98 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 94 E 8.48 4.07 0.00 2.07 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.48 0.00 95 L 8.26 4.01 0.00 1.83 1.74 0.94 0.83 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 96 K 8.06 3.86 0.00 1.91 2.00 0.00 1.55 0.00 0.00 1.66 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.53 7.81 97 A 8.25 4.04 1.42 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 0.00 0.00 98 T 7.90 3.93 4.56 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 1.23 0.00 0.00 99 K 7.88 3.91 0.00 1.81 1.98 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.50 7.81 100 D 8.14 4.44 0.00 2.89 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 0.00 101 L 8.05 4.02 0.00 1.94 1.72 0.93 0.77 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 0.00 102 R 8.15 3.93 0.00 2.02 1.99 0.00 3.14 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.87 0.00 103 E 8.15 3.97 0.00 2.18 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 2.34 2.52 0.00 104 A 8.33 3.64 1.38 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 0.00 0.00 105 I 8.09 3.62 2.00 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 1.42 0.80 0.93 0.00 0.00 106 V 7.79 3.57 2.25 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 1.00 0.00 0.00 0.97 0.00 0.00 107 H 8.14 4.07 0.00 3.26 3.31 0.00 5.86 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 0.00 108 C 8.14 3.85 0.00 3.12 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 0.00 109 E 8.41 3.90 0.00 2.11 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 0.00 2.38 2.46 0.00 110 Q 7.86 3.97 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.91 0.00 0.00 0.00 0.00 0.00 2.28 2.37 0.00 111 V 7.17 3.94 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 0.63 0.00 0.00 0.82 0.00 0.00 112 H 7.57 2.89 0.00 3.09 3.00 0.00 5.66 0.00 0.00 0.00 0.00 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.56 4.52 0.00 2.58 2.46 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 0.00 114 Y 7.50 4.35 0.00 3.08 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 0.00 115 V 7.88 3.67 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 1.09 0.00 0.00 1.00 0.00 0.00 116 S 8.44 4.15 0.00 4.27 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 0.00 117 R 8.06 3.90 0.00 1.95 2.21 0.00 3.21 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 118 D 8.26 4.34 0.00 3.03 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 0.00 119 L 8.07 3.94 0.00 1.92 1.90 0.95 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 120 L 8.00 4.10 0.00 1.89 1.70 0.93 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 121 K 8.44 3.96 0.00 1.90 1.99 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.64 7.81 122 D 8.15 4.34 0.00 2.94 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.68 3.45 1.97 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.73 0.83 0.00 0.00 124 L 8.16 3.92 0.00 1.85 1.91 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 125 E 8.40 3.91 0.00 2.07 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 0.00 2.33 2.34 0.00 126 S 8.03 4.19 0.00 4.01 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 0.00 127 E 8.54 4.10 0.00 2.06 2.26 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 2.66 2.53 0.00 128 E 8.57 4.08 0.00 2.22 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 2.36 2.52 0.00 129 E 8.38 4.04 0.00 2.23 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.48 0.00 130 H 8.29 4.36 0.00 3.24 3.51 0.00 5.62 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 I 8.30 3.71 2.08 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.65 0.93 0.00 0.00 132 D 8.23 4.33 0.00 2.85 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 0.00 133 Y 8.03 4.11 0.00 3.16 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 0.00 134 L 8.16 3.73 0.00 2.10 1.67 1.07 0.64 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 0.00 135 E 8.47 3.93 0.00 1.95 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 2.32 2.49 0.00 136 T 7.74 3.86 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 1.18 0.00 0.00 137 Q 7.90 3.83 0.00 1.83 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 1.40 1.86 0.00 138 L 7.75 3.90 0.00 1.73 1.62 0.84 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 139 G 8.08 3.57 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 0.00 140 L 7.88 4.02 0.00 1.83 1.87 1.02 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 141 I 7.34 3.56 1.75 0.00 0.00 0.51 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 -0.36 0.81 0.00 0.00 142 Q 7.55 3.98 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.95 0.00 0.00 0.00 0.00 0.00 2.49 2.50 0.00 143 K 7.94 4.23 0.00 1.74 1.86 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.70 7.81 144 V 8.35 4.26 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 0.79 0.00 0.00 1.16 0.00 0.00 145 G 7.70 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 0.00 0.00 0.00 0.00 146 L 8.52 3.97 0.00 1.77 1.69 0.96 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.20 3.97 0.00 2.06 1.99 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 2.40 2.41 0.00 148 N 8.12 4.38 0.00 3.08 2.88 0.00 0.00 6.73 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 Y 8.00 3.97 0.00 3.03 3.19 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 0.00 150 L 8.29 4.07 0.00 1.74 1.72 0.95 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 8.07 3.90 0.00 2.21 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.86 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 152 S 7.96 4.31 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 0.00 153 H 7.81 4.64 0.00 3.01 3.03 0.00 5.81 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 M 8.10 4.11 0.00 1.96 2.01 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 2.71 2.49 0.00 155 H 7.61 5.15 0.00 3.09 3.14 0.00 5.72 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 0.00 156 E 8.73 4.13 0.00 1.95 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 2.31 2.31 0.00