NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1C H 4.8949 8.4449 117.8472 56.2987 29.9937 172.9165 1D H 4.5087 8.8529 118.3970 55.7510 29.6455 173.0256 1E H 5.0945 7.5898 115.5106 53.6284 33.5498 171.9718 1F H 4.6483 8.9090 117.0219 55.9300 28.9858 174.3492 1G F 4.9380 8.3943 119.2974 57.8759 39.9123 174.0086 2 N 4.6011 8.5469 117.1427 52.4163 39.0312 174.5360 3 L 4.7606 8.0701 123.2809 52.1333 43.9724 174.5788 4 P 4.6291 0.0000 0.0000 61.4350 33.0196 175.4809 5 P 4.4264 0.0000 0.0000 63.2428 32.0715 175.7133 6 G 3.9681 8.7482 108.8269 45.2246 0.0000 171.9372 7 N 4.3676 7.9158 114.5925 51.8356 39.9839 174.2175 8 Y 4.8052 8.0275 116.6332 58.2148 38.4599 176.8594 9 K 4.1212 8.7695 122.6829 58.7276 32.2135 177.1597 10 K 4.7219 7.5956 115.1213 53.2542 35.5906 173.6487 11 P 4.7360 0.0000 0.0000 63.1338 32.3585 175.1982 12 K 4.9052 9.4337 119.0145 55.0924 37.3625 175.0328 13 L 5.0314 9.0068 121.6265 53.3693 44.2879 176.2012 14 L 4.9347 8.6253 123.4278 53.6292 42.4767 174.3356 15 Y 4.8475 9.3090 126.9305 56.6907 40.5179 173.5484 16 C 4.4088 8.2714 127.9674 56.9349 32.3785 174.6730 17 S 3.9400 8.3607 122.8713 60.7796 62.8242 174.9924 18 N 4.1408 7.8378 118.6005 56.1694 38.4770 175.4084 19 G 3.8782 7.6250 102.9512 44.5436 0.0000 173.0062 20 G 3.3530 7.7778 107.3886 44.3097 0.0000 173.3245 21 H 4.7546 7.3866 115.2917 53.9290 31.5862 174.0629 22 F 5.2904 8.8235 120.2353 55.9441 40.7635 175.2887 23 L 4.5974 8.9827 125.8418 55.3822 43.3077 175.6055 24 R 4.9147 9.3435 126.2831 54.6289 33.4921 173.8436 25 I 4.8788 8.2495 126.6521 59.2765 38.7413 175.6041 26 A 4.0766 8.8523 130.8967 50.8972 19.0223 176.4882 27 P 4.1856 0.0000 0.0000 65.6806 31.3980 177.5090 28 N 4.5673 8.0327 112.4126 53.0201 37.5475 175.8301 29 G 4.2607 8.3737 109.1401 45.4288 0.0000 174.0591 30 T 4.2680 8.2015 117.4619 63.3430 69.0751 173.5889 31 V 4.8486 7.8370 124.5041 61.2876 34.5382 174.5409 32 D 4.5543 8.3875 123.9742 53.1552 43.0370 174.2551 33 G 4.5707 8.7656 105.0496 45.3514 0.0000 172.5248 34 T 4.9908 8.8449 114.8534 60.5238 71.0887 174.6266 35 R 4.2887 8.8318 124.1806 56.4715 31.0137 176.2649 36 D 4.6408 8.2272 119.4615 53.4255 40.3569 176.9192 37 R 3.8240 8.6307 126.7508 58.1697 30.2440 178.0184 38 S 4.3477 8.6633 111.8264 58.6945 63.6694 174.2135 39 D 4.3743 7.7365 121.8846 54.9909 41.2582 175.7661 40 Q 4.3915 8.5208 123.5187 56.6031 29.3649 175.7283 41 H 4.9176 9.1559 115.7520 55.4495 29.2736 175.0720 42 I 4.6014 7.1534 110.1268 59.9153 38.5925 175.3918 43 Q 4.2633 7.8379 122.0061 55.6699 29.6795 174.7770 44 L 5.2558 9.0196 124.4691 52.7908 45.7398 175.2771 45 Q 4.7978 9.2313 123.9053 54.4781 31.0472 174.4595 46 L 5.2895 8.6449 126.3829 53.7025 44.0354 176.0078 47 S 4.4004 8.4571 114.4823 56.7574 66.9278 172.5049 48 A 4.6443 7.9317 123.5938 50.9474 19.2569 177.0126 49 E 4.0528 8.8925 123.3944 58.4529 30.2901 176.8339 50 S 4.6226 7.3644 112.2129 56.4181 67.1868 173.2602 51 V 3.7841 8.2830 121.9454 64.6661 31.5096 176.4469 52 G 3.9869 9.2400 115.0524 45.2340 0.0000 171.7875 53 E 5.1469 8.4357 120.2546 54.6014 32.2650 175.6712 54 V 4.8834 9.2370 116.8688 59.8612 36.7172 174.0327 55 Y 5.5404 8.5085 119.2010 56.6830 41.1355 175.2963 56 I 4.5793 8.5284 121.9431 59.5726 40.5046 174.2032 57 K 4.8122 8.7908 128.8906 54.0326 35.5580 175.0820 58 S 4.5765 8.8627 122.7204 58.6207 62.6608 174.9939 59 T 3.9050 8.6027 118.3373 64.4897 68.8157 175.9212 60 E 4.0674 8.3617 122.6545 58.2981 29.8625 176.9840 61 T 4.3714 8.0698 106.0331 60.5886 70.2690 175.2241 62 G 3.8422 8.2089 110.0907 45.2682 0.0000 173.8016 63 Q 4.4276 7.6165 118.8468 56.1089 30.2872 174.6467 64 Y 4.7990 8.9972 120.3298 56.1540 40.2553 175.1041 65 L 4.4010 8.9985 126.3750 55.3373 43.4334 175.5499 66 A 5.0501 8.6669 125.9088 50.7848 23.2299 174.3788 67 M 5.3604 8.6492 119.6618 53.7666 34.6535 175.7400 68 D 5.2342 9.5067 126.6790 52.7155 40.9174 176.9353 69 T 4.0328 8.5580 112.8693 64.6479 67.2864 174.0733 70 D 4.8194 8.7268 119.7319 54.0677 41.1878 177.1625 71 G 3.3826 8.6780 107.9041 45.0485 0.0000 172.9797 72 L 4.8310 7.7645 119.7269 53.1542 43.5226 176.0895 73 L 5.0282 8.5697 123.5645 55.2016 42.7208 175.6223 74 Y 5.0028 9.0547 119.8643 56.0260 42.0636 173.4277 75 G 4.3285 8.9594 108.2779 45.0201 0.0000 173.1115 76 S 5.0949 8.9988 120.4733 56.6354 64.1389 175.2890 77 Q 4.3402 9.0534 125.7782 58.1297 28.9689 176.3175 78 T 4.6674 7.4740 105.9916 58.4867 71.8053 171.5327 79 P 3.4147 0.0000 0.0000 62.2002 32.0666 175.2298 80 N 4.9453 7.9071 117.9430 51.2961 40.7626 174.5625 81 E 3.9555 8.6841 116.1319 59.4402 29.7361 178.6337 82 E 4.2384 8.7916 117.2567 57.4403 29.7108 177.4434 83 C 4.9255 7.7369 115.3332 59.0449 29.2108 173.4350 84 L 4.7008 7.1606 120.4057 53.7313 42.9550 175.8200 85 F 5.2522 9.0193 121.4254 55.5823 43.4645 174.3519 86 L 4.8601 9.2533 123.2166 53.9844 42.5191 175.4218 87 E 4.6195 8.9510 126.8383 55.2470 30.3416 175.7077 88 R 4.8132 8.5826 125.0381 54.0957 34.9577 174.4569 89 L 4.7324 8.6925 123.7577 55.2559 43.1014 175.8166 90 E 4.7111 9.1985 124.8262 55.2628 33.6543 174.8361 91 E 3.9983 9.6446 123.5844 57.9471 27.2862 174.0479 92 N 4.2971 8.4127 110.4699 54.0424 36.6286 174.0058 93 H 4.7522 8.2084 116.8639 57.3320 37.3411 173.2589 94 Y 4.6833 8.0942 116.8593 57.3381 40.0435 173.9643 95 N 5.5678 9.4962 118.6815 51.9773 41.1592 174.5176 96 T 5.2637 8.7862 112.6948 60.1535 72.8971 172.6772 97 Y 5.0354 8.6546 119.1235 56.6270 41.5447 174.2098 98 I 4.5673 8.5353 126.0763 59.3264 39.4223 175.4995 99 S 3.9946 8.9270 122.4503 58.5079 62.4305 173.9557 100 K 3.9579 8.7246 129.4754 59.3434 32.2579 178.6950 101 K 3.7697 7.9031 118.2805 59.0000 32.3092 176.6454 102 H 5.0010 8.1174 114.4879 54.2356 29.4223 176.2082 103 A 3.9588 7.7203 125.8488 55.1488 18.3927 180.8296 104 E 3.9706 7.9356 113.2146 58.5814 29.7879 178.1858 105 K 4.3169 7.5991 117.1226 55.3577 32.8003 175.7514 106 N 3.9551 7.6092 115.6372 54.0026 36.4487 174.6474 107 W 5.1597 7.6845 117.5179 55.7940 31.0847 177.3546 108 F 5.4580 9.2909 124.0247 55.4330 41.1864 175.6533 109 V 3.9712 9.0642 121.8347 63.1109 32.4462 175.2266 110 G 4.3768 8.6307 112.7864 45.2062 0.0000 171.4359 111 L 5.2746 8.4499 121.7418 52.4609 45.2525 177.1351 112 K 4.1260 8.9522 123.3217 55.4390 32.9194 178.3626 113 K 3.9508 8.4218 119.4562 59.2261 31.9425 177.9047 114 N 4.5860 8.0932 114.1186 52.5838 37.6372 175.9429 115 G 3.5251 8.1873 108.7328 45.2515 0.0000 173.8135 116 S 4.7016 7.9545 114.7279 57.3645 64.4024 173.4245 117 C 4.8129 8.2424 119.4730 59.6971 28.7766 173.5628 118 K 4.2972 8.6879 122.1395 55.9728 32.8548 176.8374 119 R 4.0939 8.5018 123.6776 55.7547 31.3409 177.0741 120 G 3.2784 8.6870 115.9723 48.2564 0.0000 174.2169 121 P 4.1942 0.0000 0.0000 64.4187 31.3776 177.5937 122 R 4.2354 7.8672 115.7513 56.7193 30.3923 176.4110 123 T 5.0735 7.5707 108.1958 59.9846 70.6865 173.2813 124 H 4.7812 7.8450 115.3473 54.9643 30.5533 172.9873 125 Y 3.9629 8.8024 118.2363 59.9299 38.0703 177.0443 126 G 4.0852 9.0196 111.5220 45.5416 0.0000 174.0424 127 Q 4.2132 7.4368 118.7162 55.3062 29.7908 177.1900 128 K 3.8383 8.3096 119.0473 58.6505 32.8469 179.4296 129 A 3.9925 8.0546 121.3020 54.0384 18.3242 178.5155 130 I 4.3823 7.1697 105.8566 60.5822 38.0469 175.2718 131 L 4.4014 7.2608 123.0792 53.9108 42.7208 175.7902 132 F 5.1931 9.4040 122.2911 55.6086 43.4352 174.1396 133 L 5.3139 9.3822 120.9544 52.4080 45.0947 174.0822 134 P 5.0777 0.0000 0.0000 62.5530 31.9397 175.5261 135 L 4.8165 9.0098 125.4988 52.1804 44.2873 174.8215 136 P 4.6586 0.0000 0.0000 62.5424 32.3698 177.0895 137 V 3.7568 8.1568 114.1993 61.7900 31.6277 176.3618 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 1C H 8.44 4.89 0.00 3.14 3.46 0.00 5.67 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1D H 8.85 4.51 0.00 3.12 3.23 0.00 5.84 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1E H 7.59 5.09 0.00 3.16 3.30 0.00 5.71 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1F H 8.91 4.65 0.00 3.33 3.41 0.00 5.66 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1G F 8.39 4.94 0.00 2.88 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 2 N 8.55 4.60 0.00 2.95 2.78 0.00 0.00 6.88 6.74 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 3 L 8.07 4.76 0.00 1.46 1.41 0.56 0.42 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 4 P 0.00 4.63 0.00 2.17 2.09 0.00 3.69 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.90 0.00 5 P 0.00 4.43 0.00 2.16 2.01 0.00 3.84 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.93 0.00 6 G 8.75 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 7 N 7.92 4.37 0.00 2.60 2.64 0.00 0.00 5.92 7.55 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 8 Y 8.03 4.81 0.00 3.04 3.20 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 0.00 0.00 0.00 0.00 9 K 8.77 4.12 0.00 1.89 1.89 0.00 1.63 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.44 7.81 10 K 7.60 4.72 0.00 1.70 1.68 0.00 1.75 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.38 7.81 11 P 0.00 4.74 0.00 2.06 2.05 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 1.97 1.98 0.00 12 K 9.43 4.91 0.00 1.63 1.82 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.82 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.54 1.61 7.81 13 L 9.01 5.03 0.00 1.67 1.62 0.51 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.63 4.93 0.00 1.55 1.54 0.31 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 9.31 4.85 0.00 3.33 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 16 C 8.27 4.41 0.00 2.44 2.45 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 17 S 8.36 3.94 0.00 3.76 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 18 N 7.84 4.14 0.00 2.51 2.62 0.00 0.00 6.75 7.98 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 19 G 7.63 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 20 G 7.78 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 H 7.39 4.75 0.00 3.01 3.24 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 F 8.82 5.29 0.00 3.05 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 23 L 8.98 4.60 0.00 1.81 1.51 0.91 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 24 R 9.34 4.91 0.00 1.92 2.05 0.00 3.15 0.00 0.00 3.40 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.81 0.00 25 I 8.25 4.88 1.85 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 1.11 0.74 0.89 0.00 0.00 26 A 8.85 4.08 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.19 0.00 2.01 2.12 0.00 3.51 0.00 0.00 3.16 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 28 N 8.03 4.57 0.00 2.81 2.91 0.00 0.00 6.25 7.00 0.00 0.00 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 G 8.37 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 0.00 0.00 0.00 0.00 30 T 8.20 4.27 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 1.22 0.00 0.00 31 V 7.84 4.85 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 0.89 0.00 0.00 1.02 0.00 0.00 32 D 8.39 4.55 0.00 2.86 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 33 G 8.77 4.57 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 34 T 8.84 4.99 4.33 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 1.37 0.00 0.00 35 R 8.83 4.29 0.00 1.87 1.97 0.00 3.20 0.00 0.00 3.06 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.50 0.00 36 D 8.23 4.64 0.00 2.84 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 37 R 8.63 3.82 0.00 1.87 1.89 0.00 3.30 0.00 0.00 3.26 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.71 0.00 38 S 8.66 4.35 0.00 3.91 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 39 D 7.74 4.37 0.00 2.81 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 40 Q 8.52 4.39 0.00 1.86 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.11 0.00 0.00 0.00 0.00 0.00 2.26 2.25 0.00 41 H 9.16 4.92 0.00 3.30 3.45 0.00 5.77 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.15 4.60 1.90 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.24 1.06 0.00 0.00 43 Q 7.84 4.26 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.87 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 44 L 9.02 5.26 0.00 1.48 1.43 0.80 0.58 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 45 Q 9.23 4.80 0.00 2.08 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.77 0.00 0.00 0.00 0.00 0.00 2.24 2.35 0.00 46 L 8.64 5.29 0.00 1.80 1.66 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.46 4.40 0.00 3.84 3.89 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 48 A 7.93 4.64 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.89 4.05 0.00 1.64 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 1.52 1.49 0.00 50 S 7.36 4.62 0.00 3.94 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 V 8.28 3.78 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 0.93 0.00 0.00 1.03 0.00 0.00 52 G 9.24 3.99 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 0.00 0.00 0.00 53 E 8.44 5.15 0.00 1.82 1.76 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 2.23 2.28 0.00 54 V 9.24 4.88 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 0.72 0.00 0.00 1.26 0.00 0.00 55 Y 8.51 5.54 0.00 2.99 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 56 I 8.53 4.58 1.72 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.64 0.67 0.00 0.00 57 K 8.79 4.81 0.00 1.27 1.48 0.00 1.23 0.00 0.00 0.61 0.00 0.00 2.50 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.04 1.19 7.81 58 S 8.86 4.58 0.00 3.86 3.65 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 59 T 8.60 3.91 4.20 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 0.00 0.00 0.00 1.17 0.00 0.00 60 E 8.36 4.07 0.00 1.98 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 2.22 2.36 0.00 61 T 8.07 4.37 4.24 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 1.25 0.00 0.00 62 G 8.21 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 63 Q 7.62 4.43 0.00 1.98 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 6.74 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 64 Y 9.00 4.80 0.00 2.76 2.77 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 65 L 9.00 4.40 0.00 1.60 1.48 0.80 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 66 A 8.67 5.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 M 8.65 5.36 0.00 2.27 2.26 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.73 0.00 68 D 9.51 5.23 0.00 2.92 2.85 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 69 T 8.56 4.03 4.33 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 1.27 0.00 0.00 70 D 8.73 4.82 0.00 2.69 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 G 8.68 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 0.00 0.00 0.00 72 L 7.76 4.83 0.00 1.87 1.63 0.91 0.61 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 73 L 8.57 5.03 0.00 1.58 1.63 0.92 0.96 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 74 Y 9.05 5.00 0.00 2.97 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 75 G 8.96 4.33 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 0.00 0.00 0.00 76 S 9.00 5.09 0.00 3.74 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 77 Q 9.05 4.34 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.56 0.00 0.00 0.00 0.00 0.00 2.42 2.33 0.00 78 T 7.47 4.67 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 79 P 0.00 3.41 0.00 1.49 0.49 0.00 3.48 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.60 0.00 80 N 7.91 4.95 0.00 2.88 2.88 0.00 0.00 6.28 7.66 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 81 E 8.68 3.96 0.00 2.02 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 2.36 2.31 0.00 82 E 8.79 4.24 0.00 2.27 2.30 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 2.39 2.34 0.00 83 C 7.74 4.93 0.00 3.14 3.09 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 84 L 7.16 4.70 0.00 1.54 1.43 0.82 0.40 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 85 F 9.02 5.25 0.00 3.11 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 L 9.25 4.86 0.00 1.53 1.62 0.89 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 87 E 8.95 4.62 0.00 2.14 1.92 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 2.19 1.93 0.00 88 R 8.58 4.81 0.00 1.78 1.81 0.00 3.18 0.00 0.00 2.91 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.64 0.00 89 L 8.69 4.73 0.00 1.73 1.60 0.93 1.04 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 90 E 9.20 4.71 0.00 2.21 1.86 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 2.29 2.44 0.00 91 E 9.64 4.00 0.00 2.44 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 0.00 2.29 2.40 0.00 92 N 8.41 4.30 0.00 2.83 2.88 0.00 0.00 6.89 8.16 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 93 H 8.21 4.75 0.00 2.86 2.93 0.00 5.91 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 Y 8.09 4.68 0.00 3.07 3.01 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 0.00 0.00 0.00 95 N 9.50 5.57 0.00 2.88 2.51 0.00 0.00 6.93 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 96 T 8.79 5.26 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 1.37 0.00 0.00 97 Y 8.65 5.04 0.00 2.81 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 98 I 8.54 4.57 1.68 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.47 0.60 0.00 0.00 99 S 8.93 3.99 0.00 4.07 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 0.00 100 K 8.72 3.96 0.00 1.72 1.68 0.00 1.70 0.00 0.00 1.48 0.00 0.00 2.79 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.31 7.81 101 K 7.90 3.77 0.00 1.57 1.64 0.00 1.48 0.00 0.00 1.58 0.00 0.00 2.99 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.24 0.96 7.81 102 H 8.12 5.00 0.00 3.01 2.13 0.00 5.69 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 7.72 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 0.00 104 E 7.94 3.97 0.00 2.07 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.16 0.00 105 K 7.60 4.32 0.00 0.96 1.66 0.00 1.61 0.00 0.00 1.51 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.24 1.04 7.81 106 N 7.61 3.96 0.00 3.05 3.05 0.00 0.00 6.88 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 W 7.68 5.16 0.00 3.26 3.09 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 0.00 108 F 9.29 5.46 0.00 2.85 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 0.00 109 V 9.06 3.97 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 0.67 0.00 0.00 0.51 0.00 0.00 110 G 8.63 4.38 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 0.00 111 L 8.45 5.27 0.00 1.45 1.44 1.01 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 112 K 8.95 4.13 0.00 1.94 1.68 0.00 1.62 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.35 7.81 113 K 8.42 3.95 0.00 1.70 1.84 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.58 1.42 7.81 114 N 8.09 4.59 0.00 2.78 2.89 0.00 0.00 6.20 7.00 0.00 0.00 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 G 8.19 3.53 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 0.00 0.00 0.00 116 S 7.95 4.70 0.00 4.00 3.95 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 0.00 117 C 8.24 4.81 0.00 2.88 2.90 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 0.00 118 K 8.69 4.30 0.00 1.61 1.69 0.00 1.61 0.00 0.00 1.56 0.00 0.00 3.00 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.40 1.33 7.81 119 R 8.50 4.09 0.00 1.79 1.62 0.00 3.21 0.00 0.00 3.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.55 0.00 120 G 8.69 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 0.00 0.00 0.00 121 P 0.00 4.19 0.00 1.90 2.16 0.00 2.96 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.00 122 R 7.87 4.24 0.00 1.83 1.92 0.00 3.29 0.00 0.00 3.24 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.65 0.00 123 T 7.57 5.07 4.33 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 1.27 0.00 0.00 124 H 7.85 4.78 0.00 3.41 3.54 0.00 5.47 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 Y 8.80 3.96 0.00 3.16 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 0.00 126 G 9.02 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 0.00 127 Q 7.44 4.21 0.00 1.85 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.76 0.00 0.00 0.00 0.00 0.00 2.21 2.12 0.00 128 K 8.31 3.84 0.00 1.76 1.64 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.74 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.27 7.81 129 A 8.05 3.99 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 I 7.17 4.38 1.61 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.03 0.52 0.00 0.00 131 L 7.26 4.40 0.00 0.98 0.52 0.33 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 132 F 9.40 5.19 0.00 3.41 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 0.00 133 L 9.38 5.31 0.00 1.83 1.66 1.13 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 5.08 0.00 2.15 2.22 0.00 3.83 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 135 L 9.01 4.82 0.00 1.68 1.64 0.93 0.79 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 0.00 136 P 0.00 4.66 0.00 1.92 1.97 0.00 3.67 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.12 0.00 137 V 8.16 3.76 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 0.66 0.00 0.00 0.91 0.00 0.00