NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.3446 8.0333 117.3310 63.4357 70.6693 172.7195 2 E 4.2547 8.8130 125.9133 55.0433 29.5712 174.8452 3 L 4.5190 8.4639 125.6961 54.4328 43.5966 176.3871 4 T 4.5179 8.0799 110.1848 60.3233 71.2221 175.7260 5 K 3.3368 8.8591 122.7222 59.9949 32.1080 179.4193 6 C 4.1385 8.0584 115.9137 59.8343 39.9539 175.9945 7 K 3.8461 8.0477 120.0557 59.4699 31.6655 179.4057 8 V 3.4056 7.6889 118.4991 66.2066 31.1715 178.0792 9 S 4.0895 7.8560 113.6163 62.0684 62.7947 176.2886 10 H 4.4320 8.1288 118.5690 58.7046 28.2554 177.6553 11 A 4.0395 7.9372 121.9857 54.3670 18.5831 178.7225 12 I 4.1932 7.4577 109.3807 60.9582 37.7489 177.5661 13 K 3.8969 7.6031 122.1354 60.0173 31.9135 177.8733 14 D 4.4278 7.9608 118.7246 57.2830 41.0718 177.9688 15 I 3.6253 7.5295 117.8732 62.3114 37.8728 174.9837 16 D 4.5740 7.7556 121.1012 56.3741 41.5561 177.1993 17 G 4.0120 9.2158 114.9089 45.7099 0.0000 172.5618 18 Y 4.1466 7.6739 121.1882 59.1480 38.8198 175.9785 19 Q 3.3670 9.1501 126.4725 56.8185 27.4703 174.0622 20 G 3.9245 8.6209 103.5005 44.9445 0.0000 173.8766 21 I 4.2358 7.4232 122.0707 60.0737 38.2064 176.0809 22 S 5.1022 9.0105 122.7409 56.5951 65.7265 175.3467 23 L 4.1931 8.5429 121.3405 57.7887 41.3161 179.8547 24 L 4.1239 7.9371 118.6907 57.9132 41.6323 179.1033 25 E 3.9178 8.0640 118.0400 59.2205 29.2716 179.5567 26 W 4.0355 8.2818 118.8471 59.5792 28.9512 178.4062 27 A 4.1208 8.4234 121.0841 55.2156 17.6786 178.9189 28 C 2.0000 7.5487 116.6594 58.9445 41.5798 175.7552 29 V 3.5529 7.6127 119.9610 66.2828 31.0166 178.0810 30 L 4.0802 8.2851 118.6699 57.4514 41.3666 179.3386 31 F 3.1141 7.8412 120.8234 61.2433 39.1063 176.7691 32 H 4.2427 7.6587 113.9726 57.9884 28.6251 177.5388 33 T 4.2998 7.5338 117.6898 65.5073 68.9498 175.6339 34 S 4.4583 7.8219 111.5392 56.8234 64.3447 174.7023 35 G 3.3141 8.2478 107.9917 46.4063 0.0000 173.7968 36 Y 3.7382 7.3930 113.7672 58.5206 36.2564 168.8355 37 D 5.0324 7.9999 121.3074 53.1564 40.8430 177.2818 38 T 4.1201 8.6576 118.3175 63.7516 68.9393 175.6459 39 Q 4.5694 8.3969 120.5687 55.4668 29.2134 175.2207 40 A 4.1435 7.8582 121.2348 52.2674 19.5277 177.7402 41 V 4.4430 8.2986 121.3288 61.1181 34.4041 174.6897 42 V 4.3614 8.5379 128.4147 60.8871 34.5151 173.7874 43 N 4.8605 8.8183 126.9944 53.0249 39.4653 173.8416 44 D 4.5385 9.3287 125.5367 53.5739 41.2574 172.6547 45 N 4.0869 8.6786 121.0933 56.2323 35.3418 172.3214 46 G 4.3982 9.3337 113.4223 45.4630 0.0000 172.1344 47 S 5.2431 7.8965 112.2523 56.3950 66.5643 172.2595 48 T 5.0630 9.2199 116.9228 61.8316 71.8740 172.9798 49 E 5.3528 9.1626 124.7323 54.8583 32.6374 174.5286 50 Y 4.9767 9.0738 121.4892 57.3575 41.5224 177.6794 51 G 4.3699 9.0052 112.5331 44.3630 0.0000 173.0896 52 L 3.8830 8.8937 119.4858 58.3006 41.7626 179.0276 53 F 4.6289 8.4350 113.2036 57.2521 39.9997 175.1585 54 Q 3.6414 8.0077 119.3087 57.0781 26.4228 174.0362 55 I 4.2201 8.0754 119.0829 61.1509 39.0209 177.2571 56 S 5.2454 9.1926 122.6697 57.8747 63.5516 173.9971 57 D 5.3289 8.9647 125.2531 53.7054 39.0299 177.4198 58 R 2.8678 7.6641 120.1003 58.3105 30.4015 177.9325 59 F 4.5916 7.6076 113.2340 57.4354 42.0664 176.6931 60 W 4.4472 8.1751 120.0230 58.2337 29.9056 173.5465 61 C 5.4674 7.9890 111.0099 53.3176 42.8571 172.5461 62 K 4.8540 8.8191 121.8366 55.3089 33.2702 175.7645 63 S 5.0091 8.4380 122.5794 56.4844 65.4769 173.8012 64 S 4.2531 8.7547 112.9726 60.8154 62.3080 174.8745 65 E 4.0417 8.1167 118.7122 57.3968 29.7667 176.3880 66 F 4.5230 7.7583 117.5172 54.3235 39.3472 173.5467 67 P 4.2667 0.0000 0.0000 64.9969 31.3824 177.3835 68 E 4.4520 8.0794 112.9522 55.7793 30.0051 176.0153 69 S 4.3701 7.6702 114.4250 58.2048 62.7764 174.3627 70 E 3.9460 8.7770 126.2885 57.4321 30.2656 176.1915 71 N 4.2361 8.0567 117.3670 54.1559 37.8485 175.1996 72 I 3.7843 7.8029 119.7136 64.8999 37.7039 177.6368 73 C 4.4287 8.7639 116.1276 57.2770 40.6349 173.4141 74 G 3.9182 8.1121 108.3600 46.5662 0.0000 173.2646 75 I 4.5168 6.9580 116.0582 59.0957 41.6541 173.1891 76 S 4.6046 8.4795 120.6227 57.9361 63.1196 175.7415 77 C 3.9434 8.5983 125.4120 60.2121 38.1871 176.1872 78 D 4.1708 7.6673 119.3279 56.7151 40.1437 178.1122 79 K 4.2871 8.0528 117.6501 57.6204 32.1600 177.3085 80 L 4.7268 7.8149 119.2800 54.5872 41.8474 177.2555 81 L 5.0145 8.1380 116.9305 53.6145 42.1866 175.7509 82 D 4.9416 7.8024 119.2005 52.1105 41.7345 175.7080 83 D 4.5878 8.5055 117.9245 54.4120 40.8833 176.2414 84 E 4.3235 8.1488 121.7160 55.2280 29.0924 176.3481 85 L 4.5560 8.2507 126.4142 55.8074 42.2481 178.4136 86 D 4.3394 8.0116 119.7351 57.1147 40.8386 177.9487 87 D 4.3726 8.0233 119.3797 56.2195 39.5875 178.2552 88 D 4.3022 8.0151 119.9464 57.2083 40.8598 178.5618 89 I 3.0162 7.7816 120.0558 64.0963 37.0438 178.2850 90 A 3.7875 7.6625 121.4048 55.2691 18.1728 178.9287 91 C 4.1488 7.9984 116.5980 59.5893 43.1462 175.5161 92 A 3.7905 7.6682 122.5363 55.0743 17.7393 179.7512 93 K 3.8639 7.8775 116.9590 59.4649 32.1254 179.7329 94 K 4.0471 7.7260 118.3966 59.5002 31.8923 179.4703 95 I 2.9650 7.5334 120.0001 64.0147 36.7124 178.4132 96 L 4.1460 8.3906 119.9410 58.0065 41.3184 179.5732 97 A 4.0593 8.2539 119.3822 54.3707 18.3180 179.1180 98 I 4.1308 7.5658 117.0986 63.2449 38.0811 176.7988 99 K 4.1610 8.2060 118.7805 56.7601 33.2237 176.4778 100 G 4.0837 8.1194 103.3354 45.0503 0.0000 173.6769 101 I 3.9414 8.3303 117.5744 64.0280 37.8173 176.8558 102 D 4.7561 8.1062 117.4306 55.5318 40.7871 176.3940 103 Y 3.9240 7.9098 121.2082 59.9905 38.9748 176.0802 104 W 4.3770 8.4307 121.1908 55.1611 27.7513 176.8616 105 K 4.0418 8.4066 123.2614 58.8450 31.8099 178.1612 106 A 4.1751 8.1209 120.7369 54.6104 18.3653 178.1647 107 Y 4.1363 8.0261 118.3927 61.1644 38.4892 178.6866 108 K 3.6408 7.9546 117.8694 58.9036 32.4766 176.9491 109 P 4.3436 0.0000 0.0000 65.1044 31.4837 176.8244 110 M 4.4796 7.9964 116.4672 55.3870 33.2682 175.6297 111 C 4.9983 8.0710 116.1457 56.8058 41.1512 174.8569 112 S 4.0838 8.0429 115.0054 58.9141 63.0050 173.2917 113 E 4.5295 7.8089 116.7726 55.4186 32.4729 174.3709 114 K 3.8459 8.4726 115.7039 57.6455 29.5286 175.9150 115 L 4.6202 7.5943 118.5794 57.0313 43.0646 179.5817 116 E 3.9928 8.3794 119.6516 59.0100 29.6790 178.6334 117 Q 3.9072 7.9485 115.5715 58.4014 28.6025 176.9292 118 W 4.5490 7.9250 116.7786 56.9165 29.4327 176.4678 119 R 4.1460 7.6852 119.7438 55.9359 30.1216 174.8764 120 C 4.5452 8.5995 124.5942 56.1376 44.2440 173.1993 121 E 3.9513 9.0977 127.0074 59.0992 29.5594 176.1611 122 K 4.2664 7.6006 118.2254 55.0521 30.8158 174.2181 123 P 4.4221 0.0000 0.0000 63.0073 31.2315 176.6184 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 T 8.03 4.34 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 1.23 0.00 0.00 2 E 8.81 4.25 0.00 1.98 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 2.32 2.44 0.00 3 L 8.46 4.52 0.00 1.49 1.53 0.88 0.74 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 4 T 8.08 4.52 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 1.24 0.00 0.00 5 K 8.86 3.34 0.00 2.08 1.91 0.00 2.14 0.00 0.00 1.99 0.00 0.00 2.97 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.60 1.85 7.81 6 C 8.06 4.14 0.00 2.97 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 7 K 8.05 3.85 0.00 1.93 1.81 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.43 7.81 8 V 7.69 3.41 1.73 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 0.82 0.00 0.00 0.41 0.00 0.00 9 S 7.86 4.09 0.00 3.84 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 10 H 8.13 4.43 0.00 3.17 3.29 0.00 5.62 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 11 A 7.94 4.04 1.32 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 0.00 0.00 0.00 12 I 7.46 4.19 1.70 0.00 0.00 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 1.65 0.57 0.81 0.00 0.00 13 K 7.60 3.90 0.00 1.69 1.95 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.26 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.71 1.68 7.81 14 D 7.96 4.43 0.00 2.62 2.64 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 0.00 0.00 0.00 15 I 7.53 3.63 1.59 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.98 0.59 0.00 0.00 16 D 7.76 4.57 0.00 2.88 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 17 G 9.22 4.01 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 0.00 0.00 0.00 18 Y 7.67 4.15 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 19 Q 9.15 3.37 0.00 1.83 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.51 0.00 0.00 0.00 0.00 0.00 2.22 2.33 0.00 20 G 8.62 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 21 I 7.42 4.24 1.85 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 1.24 0.78 -0.00 0.00 0.00 22 S 9.01 5.10 0.00 4.07 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 23 L 8.54 4.19 0.00 1.79 1.84 0.96 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 24 L 7.94 4.12 0.00 1.78 2.00 1.03 1.12 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 25 E 8.06 3.92 0.00 2.07 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 2.41 2.39 0.00 26 W 8.28 4.04 0.00 3.34 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 27 A 8.42 4.12 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 C 7.55 2.00 0.00 1.36 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 V 7.61 3.55 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 0.94 0.00 0.00 0.82 0.00 0.00 30 L 8.29 4.08 0.00 1.90 1.74 0.37 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 31 F 7.84 3.11 0.00 2.57 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 32 H 7.66 4.24 0.00 3.13 3.34 0.00 5.70 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 T 7.53 4.30 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 34 S 7.82 4.46 0.00 3.93 4.12 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 0.00 0.00 0.00 35 G 8.25 3.31 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 36 Y 7.39 3.74 0.00 3.26 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 37 D 8.00 5.03 0.00 2.69 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 38 T 8.66 4.12 4.44 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 1.23 0.00 0.00 39 Q 8.40 4.57 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.84 0.00 0.00 0.00 0.00 0.00 2.53 2.31 0.00 40 A 7.86 4.14 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 41 V 8.30 4.44 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 0.62 0.00 0.00 0.98 0.00 0.00 42 V 8.54 4.36 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.93 0.00 0.00 43 N 8.82 4.86 0.00 2.73 2.69 0.00 0.00 7.04 8.47 0.00 0.00 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 D 9.33 4.54 0.00 2.67 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 N 8.68 4.09 0.00 2.94 2.92 0.00 0.00 7.31 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 46 G 9.33 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 S 7.90 5.24 0.00 4.04 3.76 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 48 T 9.22 5.06 4.50 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 0.00 0.00 0.00 0.71 0.00 0.00 49 E 9.16 5.35 0.00 2.00 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 2.29 0.00 50 Y 9.07 4.98 0.00 2.99 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 51 G 9.01 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 L 8.89 3.88 0.00 1.58 1.73 0.90 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 53 F 8.44 4.63 0.00 3.25 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 Q 8.01 3.64 0.00 2.42 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.84 0.00 0.00 0.00 0.00 0.00 2.54 2.68 0.00 55 I 8.08 4.22 2.05 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 1.03 0.91 1.02 0.00 0.00 56 S 9.19 5.25 0.00 4.21 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 57 D 8.96 5.33 0.00 2.92 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 58 R 7.66 2.87 0.00 1.16 1.11 0.00 2.21 0.00 0.00 2.52 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 59 F 7.61 4.59 0.00 2.12 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 0.00 0.00 0.00 60 W 8.18 4.45 0.00 3.56 3.21 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 61 C 7.99 5.47 0.00 3.07 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 62 K 8.82 4.85 0.00 2.00 1.71 0.00 1.52 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.36 1.42 7.81 63 S 8.44 5.01 0.00 3.98 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 64 S 8.75 4.25 0.00 3.86 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 65 E 8.12 4.04 0.00 2.01 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 2.24 2.15 0.00 66 F 7.76 4.52 0.00 3.16 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 67 P 0.00 4.27 0.00 2.04 2.12 0.00 3.63 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 1.98 2.04 0.00 68 E 8.08 4.45 0.00 2.10 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 0.00 2.28 2.28 0.00 69 S 7.67 4.37 0.00 4.03 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 70 E 8.78 3.95 0.00 2.04 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 2.22 2.31 0.00 71 N 8.06 4.24 0.00 2.89 2.75 0.00 0.00 7.01 7.74 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 72 I 7.80 3.78 1.77 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.48 1.01 0.00 0.00 73 C 8.76 4.43 0.00 3.20 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 74 G 8.11 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 75 I 6.96 4.52 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.45 0.92 0.00 0.00 76 S 8.48 4.60 0.00 3.87 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 C 8.60 3.94 0.00 2.32 1.58 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.67 4.17 0.00 2.68 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 79 K 8.05 4.29 0.00 1.91 1.98 0.00 1.56 0.00 0.00 1.69 0.00 0.00 3.10 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.51 7.81 80 L 7.81 4.73 0.00 1.93 1.79 0.98 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 81 L 8.14 5.01 0.00 1.83 1.73 1.13 1.25 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 82 D 7.80 4.94 0.00 2.76 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 83 D 8.51 4.59 0.00 2.69 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 84 E 8.15 4.32 0.00 1.93 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 85 L 8.25 4.56 0.00 1.77 1.71 0.96 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 86 D 8.01 4.34 0.00 2.69 2.67 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 87 D 8.02 4.37 0.00 2.92 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 88 D 8.02 4.30 0.00 3.01 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 89 I 7.78 3.02 1.85 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.76 0.64 0.00 0.00 90 A 7.66 3.79 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 C 8.00 4.15 0.00 2.98 3.12 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 0.00 0.00 0.00 92 A 7.67 3.79 0.38 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 93 K 7.88 3.86 0.00 1.74 1.54 0.00 1.18 0.00 0.00 1.29 0.00 0.00 2.53 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.54 1.18 7.81 94 K 7.73 4.05 0.00 1.99 2.00 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.63 7.81 95 I 7.53 2.97 1.60 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.30 -0.27 0.00 0.00 96 L 8.39 4.15 0.00 2.15 1.94 1.36 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 97 A 8.25 4.06 1.45 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 98 I 7.57 4.13 2.23 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.74 1.03 0.00 0.00 99 K 8.21 4.16 0.00 1.89 1.95 0.00 2.02 0.00 0.00 1.97 0.00 0.00 3.20 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.46 7.81 100 G 8.12 4.08 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 0.00 0.00 0.00 101 I 8.33 3.94 1.57 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.26 0.65 0.74 0.00 0.00 102 D 8.11 4.76 0.00 2.78 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 0.00 103 Y 7.91 3.92 0.00 2.59 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 0.00 0.00 0.00 104 W 8.43 4.38 0.00 3.70 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 0.00 105 K 8.41 4.04 0.00 1.69 1.88 0.00 1.64 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.40 7.81 106 A 8.12 4.18 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 0.00 107 Y 8.03 4.14 0.00 3.02 3.12 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 0.00 0.00 0.00 108 K 7.95 3.64 0.00 1.76 1.79 0.00 1.77 0.00 0.00 1.64 0.00 0.00 3.13 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.64 1.42 7.81 109 P 0.00 4.34 0.00 2.14 2.15 0.00 3.80 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 2.11 1.97 0.00 110 M 8.00 4.48 0.00 1.78 2.08 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 2.27 2.61 0.00 111 C 8.07 5.00 0.00 2.85 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 0.00 112 S 8.04 4.08 0.00 3.73 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 E 7.81 4.53 0.00 2.03 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.35 0.00 114 K 8.47 3.85 0.00 1.95 1.89 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.37 1.46 7.81 115 L 7.59 4.62 0.00 1.80 1.84 0.96 0.86 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 0.00 116 E 8.38 3.99 0.00 2.06 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 2.38 2.36 0.00 117 Q 7.95 3.91 0.00 1.79 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.83 0.00 0.00 0.00 0.00 0.00 2.27 1.17 0.00 118 W 7.92 4.55 0.00 3.51 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 0.00 119 R 7.69 4.15 0.00 1.87 1.93 0.00 3.40 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 120 C 8.60 4.55 0.00 2.93 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 0.00 121 E 9.10 3.95 0.00 1.99 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 2.28 2.25 0.00 122 K 7.60 4.27 0.00 1.77 1.83 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.49 7.81 123 P 0.00 4.42 0.00 2.04 2.00 0.00 3.71 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 2.04 2.11 0.00