NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4317 8.3049 120.3515 54.8066 32.9939 175.1662 2 L 3.9469 8.4771 127.0481 53.9823 42.4170 175.7078 3 K 4.1018 8.9175 122.3744 57.2632 34.1103 175.1064 4 R 4.9731 8.8074 124.8364 54.6844 31.8566 175.2200 5 V 4.7660 8.6760 125.6909 61.2292 35.2525 173.6845 6 E 4.9637 8.8897 126.6265 54.7954 31.9668 174.9966 7 I 5.0085 7.8773 123.6842 59.4417 41.2289 174.3512 8 F 5.3919 9.2908 125.1172 55.8974 42.0912 174.3903 9 T 5.3318 8.4641 112.1241 60.5737 72.1339 172.6538 10 D 4.6902 8.8954 119.3425 53.8778 45.2292 174.5351 11 G 4.7646 8.6255 110.5896 45.4239 0.0000 171.5404 12 S 4.8816 8.9906 116.0670 57.8501 66.8992 173.2069 13 C 5.1579 8.9536 117.3576 57.6208 31.1853 175.5954 14 L 4.2471 8.3870 123.3967 52.3283 38.9224 176.5602 15 G 3.8315 8.4529 108.5570 45.8169 0.0000 169.6278 16 N 4.8352 8.3805 121.9641 50.8371 40.6465 172.5289 17 P 4.5162 0.0000 0.0000 61.7569 32.9978 175.6457 18 G 3.9697 7.7878 103.8719 45.0135 0.0000 169.8053 19 P 5.2442 0.0000 0.0000 62.5504 32.4344 176.1783 20 G 4.6486 8.8390 110.6707 44.7764 0.0000 171.1575 21 G 5.0617 8.7513 104.9806 45.5563 0.0000 172.0412 22 Y 5.5980 7.9847 117.7154 55.4447 42.5765 174.1455 23 G 4.6153 9.5245 106.1483 45.1161 0.0000 171.8865 24 A 5.5026 9.7679 125.4043 50.2956 23.3287 174.8364 25 I 5.0330 9.2026 121.5647 59.4529 40.7103 174.3358 26 L 5.0526 9.3791 129.9973 53.5047 44.1592 174.8311 27 R 5.2432 9.0466 127.7168 55.1270 33.1154 174.4800 28 Y 4.7635 9.4523 125.7851 57.1065 42.5857 174.8129 29 R 3.6164 9.1112 127.4627 57.2644 27.6170 177.5383 30 G 3.9529 8.1527 103.7083 45.6231 0.0000 173.6328 31 R 4.5912 7.8111 119.7417 54.5521 31.7087 174.9523 32 E 5.3177 8.6189 121.3493 54.4402 32.6327 175.1844 33 K 4.6151 9.2443 123.7054 55.0667 35.3656 175.3873 34 T 5.1140 8.3802 123.0990 62.8428 70.6523 174.1554 35 F 4.9963 8.8523 121.5338 56.4562 43.6737 173.8103 36 S 4.8675 8.5742 115.4697 58.6172 65.8152 173.7338 37 A 4.0841 6.9555 118.4825 51.0930 22.1028 175.3952 38 G 4.6229 7.9086 107.5038 43.6769 0.0000 171.5378 39 Y 5.5126 8.7198 120.1107 55.2767 41.4809 176.5551 40 T 3.9665 8.9262 119.9781 66.5111 69.3492 173.8272 41 R 4.9789 7.6668 118.7972 55.3680 33.3333 173.4691 42 T 3.4868 8.2302 119.6789 61.7152 71.8506 171.2240 43 T 4.9368 7.5057 110.7118 59.4862 72.1472 175.0784 44 N 4.2556 9.1995 119.5257 56.5519 38.4842 177.3837 45 N 4.1156 7.9206 117.1621 56.4750 38.5625 177.3969 46 R 3.8185 7.4835 119.2121 59.4566 30.0247 179.0714 47 M 4.0142 7.7544 117.8132 58.5737 31.5373 178.4986 48 E 3.9985 8.3979 118.8323 59.5011 29.4976 179.7047 49 L 3.7144 7.8092 118.8115 57.7683 41.7307 178.7040 50 M 3.7157 8.3688 118.2525 58.6722 32.1248 177.7016 51 A 3.3561 7.9115 120.5964 55.3367 18.5192 179.5562 52 A 3.9018 7.4363 118.4431 55.2727 18.4419 179.6515 53 I 3.5455 7.8190 118.6444 64.4401 37.2197 178.4371 54 V 3.4203 7.8862 118.8744 66.1175 31.0788 177.7848 55 A 3.2306 7.1172 118.0353 55.1298 18.3469 179.1653 56 L 3.9041 7.7268 116.9656 58.0884 41.5233 179.8386 57 E 3.9719 8.4542 117.1442 58.8954 29.3616 178.8194 58 A 4.1404 7.5051 120.6045 53.8459 18.6912 178.3433 59 L 3.8611 6.9293 116.8422 55.6969 42.0287 177.3090 60 K 4.5339 8.2622 121.5496 55.5095 32.4590 175.3453 61 E 4.6921 7.4660 114.6972 55.4740 31.5122 174.6850 62 H 4.2433 8.8178 120.1448 56.8081 30.4277 173.9691 63 C 4.9065 8.3153 122.4624 58.3936 33.7093 172.4429 64 E 4.7755 9.0149 119.6855 55.1282 30.5291 175.6580 65 V 4.4773 8.0192 125.0953 61.5541 33.9687 174.9513 66 I 4.4129 8.0836 127.8801 59.1545 38.6274 172.9943 67 L 4.2327 7.6835 129.0120 54.1013 43.5043 174.9953 68 S 5.4447 8.5335 120.9114 55.8013 65.3295 172.5297 69 T 5.0588 8.4512 119.8365 61.0833 71.0184 172.9339 70 D 5.4566 8.6283 121.5528 52.2268 40.0934 176.2077 71 S 4.4691 8.0101 115.7803 58.5884 63.4179 174.7767 72 Q 3.9056 8.7319 128.5252 58.7169 28.7565 177.6974 73 Y 4.2621 8.0471 120.3518 60.8853 38.8578 178.2603 74 V 3.6545 7.8459 118.7083 65.9093 31.6162 177.5542 75 R 2.5100 7.4582 118.3298 58.9175 29.6326 178.2600 76 Q 3.5174 7.4394 119.1996 57.9060 28.5538 179.2490 77 G 3.1595 7.1080 106.2290 47.7478 0.0000 175.6519 78 I 3.5329 7.4858 122.5394 63.8826 37.4021 178.5254 79 T 3.8450 7.8896 110.7784 63.9960 68.6201 174.5571 80 Q 4.2775 7.9033 117.1741 54.6383 31.8382 177.5546 81 W 3.7394 7.5060 120.2085 60.0641 29.7128 177.4050 82 I 3.3575 7.0909 118.6647 64.4644 37.0629 177.1430 83 H 4.0127 7.7111 118.0179 59.3944 29.7556 177.0110 84 N 4.1419 7.7576 117.7090 55.9509 38.3549 177.1324 85 W 4.2620 8.0079 120.7053 59.8751 29.1223 178.6962 86 K 3.1952 7.3395 117.6295 58.8967 31.1358 179.4199 87 K 3.8414 7.2443 117.8944 59.5360 32.0646 179.3162 88 R 4.3442 7.6443 115.4033 55.5155 31.1899 176.9481 89 G 3.8915 8.4811 105.2022 46.9646 0.0000 175.0059 90 W 3.4707 7.8666 115.9839 55.4707 26.7569 174.0122 91 K 4.0771 7.4061 113.1861 55.2354 34.8441 174.8661 92 K 4.2604 8.7599 126.6801 56.0872 33.1087 176.8927 93 A 4.1169 8.6008 121.8328 55.7595 18.2598 179.0894 94 D 4.6251 7.9630 111.5704 53.6072 39.1024 177.6717 95 K 4.0565 7.9007 117.6219 56.9947 31.2503 176.8484 96 K 4.1841 7.9360 119.3528 55.2716 32.6043 174.9213 97 P 4.5531 0.0000 0.0000 62.3006 31.9490 176.9708 98 V 3.5214 7.9315 115.4373 60.8382 32.0720 176.1431 99 K 4.0912 8.2967 124.8995 57.4357 32.9501 176.1267 100 N 4.5163 9.1634 120.8946 53.4581 36.2108 176.9675 101 V 3.4184 7.7867 119.9955 64.5205 31.0053 176.6787 102 D 4.1811 7.8878 119.4662 56.5903 39.1698 178.6021 103 L 4.0005 7.7136 120.5548 56.6634 41.6032 179.3213 104 W 4.3298 8.1915 119.0560 59.7632 28.9704 178.6305 105 K 3.9862 7.9138 118.4603 59.4455 31.4510 179.3152 106 R 3.8896 7.7099 119.0025 59.2846 29.9729 178.3128 107 L 3.9883 8.3119 120.4251 58.1729 42.1767 178.2269 108 D 4.5316 8.7515 118.1526 57.4846 40.9703 177.8371 109 A 4.0520 8.2650 119.8247 55.5175 18.8016 179.1157 110 A 4.1136 8.2290 118.8207 55.1942 18.4307 179.7657 111 L 4.1107 8.5177 118.0710 58.0154 41.6458 179.8406 112 G 3.8760 8.1120 103.1933 46.6807 0.0000 174.6333 113 R 4.4058 7.5579 118.2084 56.0848 30.6501 174.8933 114 H 4.8091 7.6535 115.0502 54.3124 33.8484 173.8839 115 K 4.3669 8.5952 121.8052 55.1379 31.2231 175.5251 116 I 3.9446 7.8667 125.4652 60.9046 38.4062 176.0480 117 K 4.3402 8.0282 125.5840 54.5785 33.7326 175.3163 118 W 3.9665 8.3477 125.5763 56.4098 30.4379 176.0145 119 E 4.1125 8.2554 123.8526 54.7532 31.5825 173.6515 120 W 5.1887 8.0946 127.3443 56.3930 29.9449 176.4715 121 V 4.1955 9.0403 118.4749 60.2512 34.0574 175.4783 122 K 4.1638 9.1399 121.7590 56.8813 32.8202 179.6578 123 G 4.3079 7.9088 112.5378 43.2697 0.0000 172.3365 124 H 4.4144 8.7424 114.6325 58.3851 28.9808 175.9352 125 A 4.0508 8.1174 121.7010 53.9874 18.2096 177.2616 126 G 3.8592 9.2716 110.2576 46.4373 0.0000 174.0812 127 H 4.9941 8.4191 116.0847 52.4997 29.9286 172.2381 128 P 4.1762 0.0000 0.0000 66.0701 31.6081 178.3012 129 E 3.6510 7.8798 118.1135 59.0664 29.1127 179.1283 130 N 4.4288 7.9410 115.7513 56.2429 38.7298 176.8355 131 E 3.5974 8.0216 120.5283 59.2422 29.6195 178.8367 132 R 3.8733 8.2314 118.9682 59.5909 30.0337 178.3004 133 C 4.1872 8.0479 116.5636 62.8062 28.1328 175.3732 134 D 4.3901 8.2835 119.6987 57.3785 40.7782 177.9176 135 E 3.9170 8.1609 119.5955 59.3321 29.6541 178.6199 136 L 3.9531 8.0294 118.7096 57.8884 41.7692 179.3671 137 A 4.2110 8.3739 120.8056 55.3056 18.3253 179.9249 138 R 3.8333 8.1959 116.1879 59.3955 29.8919 178.9313 139 A 3.9533 8.0120 120.2818 55.4306 18.3626 179.6060 140 A 3.8439 8.1557 118.7769 55.1145 18.1906 179.6066 141 A 4.2226 7.8509 118.1870 54.9129 18.4877 179.4112 142 M 4.2754 7.7210 117.4474 57.0721 33.4065 177.1130 143 K 4.5769 7.2024 116.4566 53.7433 32.3911 173.4935 144 P 4.2778 0.0000 0.0000 63.7713 32.1664 177.1304 145 K 4.3810 8.3770 119.8039 56.7793 34.6529 176.1510 146 L 4.4830 7.5515 120.0617 53.2723 44.4000 175.0263 147 E 4.8482 8.3720 119.4984 55.0304 32.7038 175.3957 148 D 4.7153 9.1371 126.9495 53.2949 39.8686 176.3642 149 T 4.0444 8.3670 115.5377 63.4952 69.1573 176.0542 150 G 3.8467 7.8074 109.2937 45.1810 0.0000 172.7475 151 Y 4.6022 7.6629 122.3360 56.5158 39.2888 175.4688 152 Q 3.7686 8.2588 126.5281 56.6750 28.7833 175.3648 153 V 2.7189 5.6611 118.8708 60.5419 31.0586 166.9579 154 E 3.7092 6.9967 127.7141 56.4255 29.3906 175.0676 155 V 3.7144 7.7991 121.9866 61.0505 31.5773 175.7352 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.30 4.43 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.58 0.00 2 L 8.48 3.95 0.00 1.91 1.59 1.03 0.76 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 3 K 8.92 4.10 0.00 1.69 1.75 0.00 1.59 0.00 0.00 1.16 0.00 0.00 2.52 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.72 1.49 7.81 4 R 8.81 4.97 0.00 1.80 1.84 0.00 3.35 0.00 0.00 3.31 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.64 0.00 5 V 8.68 4.77 2.00 0.00 0.00 0.00 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 0.92 0.00 0.00 6 E 8.89 4.96 0.00 2.05 1.62 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 2.20 2.27 0.00 7 I 7.88 5.01 1.57 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.67 0.75 0.00 0.00 8 F 9.29 5.39 0.00 2.96 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 9 T 8.46 5.33 4.29 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 1.22 0.00 0.00 10 D 8.90 4.69 0.00 2.88 2.59 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 11 G 8.63 4.76 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 0.00 0.00 0.00 12 S 8.99 4.88 0.00 3.87 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 13 C 8.95 5.16 0.00 2.92 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 14 L 8.39 4.25 0.00 1.53 1.64 0.92 0.89 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 15 G 8.45 3.83 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 0.00 0.00 0.00 16 N 8.38 4.84 0.00 2.62 2.69 0.00 0.00 7.17 7.69 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 17 P 0.00 4.52 0.00 2.22 2.08 0.00 3.95 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 2.04 2.07 0.00 18 G 7.79 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 19 P 0.00 5.24 0.00 2.09 2.01 0.00 3.82 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.05 0.00 20 G 8.84 4.65 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 0.00 0.00 0.00 21 G 8.75 5.06 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 0.00 0.00 0.00 22 Y 7.98 5.60 0.00 3.04 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 23 G 9.52 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 24 A 9.77 5.50 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 25 I 9.20 5.03 2.10 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 1.20 0.89 1.02 0.00 0.00 26 L 9.38 5.05 0.00 1.81 1.80 0.87 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 27 R 9.05 5.24 0.00 2.04 1.91 0.00 3.54 0.00 0.00 3.12 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 28 Y 9.45 4.76 0.00 2.98 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 29 R 9.11 3.62 0.00 1.56 1.69 0.00 3.18 0.00 0.00 2.85 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.58 0.00 30 G 8.15 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 0.00 0.00 0.00 31 R 7.81 4.59 0.00 2.10 1.90 0.00 3.11 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.76 0.00 32 E 8.62 5.32 0.00 1.85 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 2.26 2.29 0.00 33 K 9.24 4.62 0.00 1.80 1.77 0.00 1.63 0.00 0.00 1.82 0.00 0.00 2.37 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.87 1.21 7.81 34 T 8.38 5.11 4.17 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 1.23 0.00 0.00 35 F 8.85 5.00 0.00 3.10 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 S 8.57 4.87 0.00 3.76 3.77 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 37 A 6.96 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 G 7.91 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 39 Y 8.72 5.51 0.00 2.91 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 T 8.93 3.97 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 1.25 0.00 0.00 41 R 7.67 4.98 0.00 1.82 1.90 0.00 3.36 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 42 T 8.23 3.49 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 1.10 0.00 0.00 43 T 7.51 4.94 4.17 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 1.04 0.00 0.00 44 N 9.20 4.26 0.00 2.68 3.04 0.00 0.00 7.42 6.96 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 45 N 7.92 4.12 0.00 2.37 1.96 0.00 0.00 7.08 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 46 R 7.48 3.82 0.00 1.62 1.81 0.00 3.31 0.00 0.00 2.99 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.59 0.00 47 M 7.75 4.01 0.00 2.28 2.27 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.82 0.00 48 E 8.40 4.00 0.00 2.26 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 0.00 2.42 2.65 0.00 49 L 7.81 3.71 0.00 1.72 1.44 0.17 -0.14 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 50 M 8.37 3.72 0.00 2.00 2.02 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.73 0.00 51 A 7.91 3.36 1.40 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 52 A 7.44 3.90 1.40 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 53 I 7.82 3.55 1.89 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.58 0.85 0.00 0.00 54 V 7.89 3.42 1.77 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 1.11 0.00 0.00 0.81 0.00 0.00 55 A 7.12 3.23 1.09 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 56 L 7.73 3.90 0.00 1.84 1.69 0.91 0.56 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 57 E 8.45 3.97 0.00 1.83 2.00 0.00 0.00 0.00 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 2.53 0.00 58 A 7.51 4.14 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 59 L 6.93 3.86 0.00 1.60 1.53 0.46 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 60 K 8.26 4.53 0.00 1.70 1.79 0.00 1.82 0.00 0.00 1.83 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.34 7.81 61 E 7.47 4.69 0.00 2.01 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 2.06 2.17 0.00 62 H 8.82 4.24 0.00 3.11 3.27 0.00 5.67 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 C 8.32 4.91 0.00 2.71 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 64 E 9.01 4.78 0.00 1.85 1.82 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 2.20 2.19 0.00 65 V 8.02 4.48 1.81 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 0.66 0.00 0.00 0.70 0.00 0.00 66 I 8.08 4.41 1.67 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 0.97 0.54 0.71 0.00 0.00 67 L 7.68 4.23 0.00 0.76 0.44 0.21 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.53 5.44 0.00 3.65 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 69 T 8.45 5.06 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 70 D 8.63 5.46 0.00 3.14 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 71 S 8.01 4.47 0.00 4.01 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 72 Q 8.73 3.91 0.00 2.17 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.68 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 73 Y 8.05 4.26 0.00 3.15 3.23 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 74 V 7.85 3.65 2.21 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 1.09 0.00 0.00 0.97 0.00 0.00 75 R 7.46 2.51 0.00 1.13 1.35 0.00 2.21 0.00 0.00 2.47 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.50 0.00 76 Q 7.44 3.52 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.55 0.00 0.00 0.00 0.00 0.00 2.01 1.91 0.00 77 G 7.11 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 0.00 0.00 0.00 78 I 7.49 3.53 1.50 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.41 0.51 0.00 0.00 79 T 7.89 3.85 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 0.88 0.00 0.00 80 Q 7.90 4.28 0.00 1.45 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 6.64 0.00 0.00 0.00 0.00 0.00 1.99 1.80 0.00 81 W 7.51 3.74 0.00 1.78 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 I 7.09 3.36 1.70 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.73 0.84 0.00 0.00 83 H 7.71 4.01 0.00 3.18 3.25 0.00 5.84 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 84 N 7.76 4.14 0.00 2.63 2.73 0.00 0.00 7.04 7.68 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 85 W 8.01 4.26 0.00 2.95 2.42 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 86 K 7.34 3.20 0.00 1.68 1.63 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.96 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.89 1.25 7.81 87 K 7.24 3.84 0.00 1.76 1.78 0.00 1.54 0.00 0.00 1.60 0.00 0.00 2.75 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.36 7.81 88 R 7.64 4.34 0.00 1.82 2.00 0.00 3.39 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 89 G 8.48 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 0.00 0.00 0.00 90 W 7.87 3.47 0.00 3.38 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 91 K 7.41 4.08 0.00 1.68 1.75 0.00 1.79 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.37 7.81 92 K 8.76 4.26 0.00 2.00 1.78 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.58 1.35 7.81 93 A 8.60 4.12 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 94 D 7.96 4.63 0.00 2.79 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 95 K 7.90 4.06 0.00 1.95 2.04 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.44 7.81 96 K 7.94 4.18 0.00 1.95 1.70 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.73 7.81 97 P 0.00 4.55 0.00 2.00 1.95 0.00 3.65 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 2.00 2.09 0.00 98 V 7.93 3.52 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 0.00 0.00 -0.11 0.00 0.00 0.84 0.00 0.00 99 K 8.30 4.09 0.00 1.77 1.87 0.00 1.99 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.50 7.81 100 N 9.16 4.52 0.00 3.16 2.86 0.00 0.00 7.36 7.68 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 0.00 101 V 7.79 3.42 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 0.70 0.00 0.00 0.23 0.00 0.00 102 D 7.89 4.18 0.00 2.83 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 0.00 103 L 7.71 4.00 0.00 1.49 1.56 0.79 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 104 W 8.19 4.33 0.00 3.19 3.26 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 0.00 105 K 7.91 3.99 0.00 1.79 1.77 0.00 1.30 0.00 0.00 1.38 0.00 0.00 2.61 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.08 0.28 7.81 106 R 7.71 3.89 0.00 1.97 2.06 0.00 3.08 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.64 0.00 107 L 8.31 3.99 0.00 1.86 2.01 1.05 1.29 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 0.00 108 D 8.75 4.53 0.00 3.26 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 0.00 109 A 8.27 4.05 1.43 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 0.00 0.00 110 A 8.23 4.11 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 L 8.52 4.11 0.00 2.05 1.90 1.33 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 112 G 8.11 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 0.00 113 R 7.56 4.41 0.00 1.82 1.75 0.00 3.09 0.00 0.00 3.22 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 114 H 7.65 4.81 0.00 2.93 3.20 0.00 5.64 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 K 8.60 4.37 0.00 1.84 1.64 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.40 7.81 116 I 7.87 3.94 1.78 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.15 -0.15 0.00 0.00 117 K 8.03 4.34 0.00 1.69 1.63 0.00 1.47 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.22 1.32 7.81 118 W 8.35 3.97 0.00 2.82 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 E 8.26 4.11 0.00 1.78 1.62 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 2.16 2.20 0.00 120 W 8.09 5.19 0.00 3.26 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 0.00 121 V 9.04 4.20 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 0.90 0.00 0.00 1.00 0.00 0.00 122 K 9.14 4.16 0.00 1.90 1.78 0.00 1.58 0.00 0.00 1.80 0.00 0.00 3.32 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.58 7.81 123 G 7.91 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 0.00 124 H 8.74 4.41 0.00 3.25 3.57 0.00 5.67 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 0.00 125 A 8.12 4.05 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 0.00 126 G 9.27 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 0.00 0.00 0.00 127 H 8.42 4.99 0.00 3.31 3.43 0.00 5.63 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 P 0.00 4.18 0.00 2.17 2.26 0.00 3.67 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.00 0.00 129 E 7.88 3.65 0.00 1.16 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 1.47 1.94 0.00 130 N 7.94 4.43 0.00 3.04 2.98 0.00 0.00 6.74 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 0.00 131 E 8.02 3.60 0.00 1.91 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 2.19 1.92 0.00 132 R 8.23 3.87 0.00 2.08 1.91 0.00 3.11 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 133 C 8.05 4.19 0.00 3.32 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 D 8.28 4.39 0.00 3.03 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 0.00 135 E 8.16 3.92 0.00 2.27 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 2.30 2.36 0.00 136 L 8.03 3.95 0.00 1.99 1.74 1.00 0.59 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 0.00 137 A 8.37 4.21 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 R 8.20 3.83 0.00 1.88 2.00 0.00 3.17 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.95 0.00 139 A 8.01 3.95 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 0.00 140 A 8.16 3.84 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 0.00 141 A 7.85 4.22 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 M 7.72 4.28 0.00 2.01 2.34 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.88 0.00 143 K 7.20 4.58 0.00 1.63 1.74 0.00 1.58 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.29 1.30 7.81 144 P 0.00 4.28 0.00 2.17 2.11 0.00 3.70 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.99 0.00 145 K 8.38 4.38 0.00 1.51 1.80 0.00 1.70 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.35 1.30 7.81 146 L 7.55 4.48 0.00 0.73 1.32 0.68 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.37 4.85 0.00 1.96 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 2.27 2.38 0.00 148 D 9.14 4.72 0.00 2.59 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 0.00 149 T 8.37 4.04 4.27 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 1.33 0.00 0.00 150 G 7.81 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 Y 7.66 4.60 0.00 3.02 3.05 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 0.00 152 Q 8.26 3.77 0.00 1.87 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 5.79 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 153 V 5.66 2.72 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 0.72 0.00 0.00 0.79 0.00 0.00 154 E 7.00 3.71 0.00 2.07 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.14 0.00 155 V 7.80 3.71 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.92 0.00 0.00