NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3751 8.3049 120.3437 54.6442 34.0223 175.3519 2 L 3.9899 7.6128 117.3433 55.0726 41.6800 174.1840 3 Q 3.7861 7.4822 118.7703 57.1401 30.6472 174.5060 4 P 4.5137 0.0000 0.0000 63.2934 32.8803 177.4271 5 K 3.9096 8.9960 115.0667 58.7679 32.7749 177.1605 6 R 4.0616 8.2575 112.8269 56.5834 28.5977 176.1955 7 T 3.8745 7.5109 108.1789 62.4329 68.3241 174.1889 8 K 4.0587 8.5073 128.1106 57.0710 30.0541 173.5672 9 F 3.3937 8.4457 131.4330 56.7561 40.1692 175.8212 10 R 4.0677 5.8400 121.8605 56.6669 29.7863 178.2735 11 K 4.2386 7.6597 115.9444 58.1798 32.5083 177.0423 12 M 4.2021 7.5070 120.4734 56.2412 32.8959 174.6028 13 H 4.9923 8.3193 123.0807 54.2615 33.6004 173.6877 14 K 4.2640 7.4409 120.5890 56.9172 32.9102 176.8051 15 G 4.0192 7.2631 108.5462 44.4484 0.0000 172.3550 16 R 4.6474 8.1052 123.5955 53.7676 34.1248 175.2219 17 N 4.6386 8.4632 118.2489 52.7778 39.7419 176.8609 18 R 4.1652 8.1314 118.5522 56.8966 27.7193 177.8731 19 G 3.9844 7.5232 113.0031 44.7992 0.0000 172.2568 20 L 4.4593 7.8745 117.7343 54.2561 42.8683 177.2331 21 A 4.0640 8.6051 125.6543 51.4767 19.8654 176.0890 22 Q 4.4926 8.1587 119.0855 54.9557 32.0628 173.0600 23 G 4.4469 7.6053 106.8559 44.0472 0.0000 174.1373 24 T 4.5715 7.5789 112.5629 60.9614 67.7898 171.3976 25 D 4.7295 7.8131 123.0445 54.2914 42.6408 175.1204 26 V 4.2259 8.3606 115.4173 62.5578 33.4754 175.8475 27 S 5.1172 8.8382 119.5618 58.4932 59.6289 170.1605 28 F 3.9285 8.5415 117.6557 60.5031 41.7541 174.4200 29 G 3.2993 9.1331 105.0492 44.4626 0.0000 175.1460 30 S 3.4744 8.2348 113.2145 59.2642 64.6851 172.6099 31 F 3.7629 9.0657 122.8308 58.6516 40.3657 175.5677 32 G 3.7423 9.1964 109.8047 42.6182 0.0000 173.6739 33 L 3.5853 8.5713 121.1788 54.2729 42.1344 173.7085 34 K 4.5481 8.0612 115.1518 57.6143 32.0471 175.6608 35 A 4.7964 8.4815 126.0295 50.2214 21.7745 175.5196 36 V 4.0641 8.1964 117.6728 63.7246 33.4608 174.8420 37 G 3.8423 8.1876 108.4944 45.9213 0.0000 172.5676 38 R 4.2136 8.4463 128.0160 55.6124 30.3702 176.7408 39 G 3.9744 8.1642 104.9941 45.2614 0.0000 175.0897 40 R 4.2282 8.5299 114.9811 56.8142 30.0463 176.1087 41 L 4.1166 7.8619 119.7459 53.9964 41.4483 177.0283 42 T 4.3030 8.4075 117.9967 61.4464 68.4671 174.5673 43 A 3.9202 8.7033 127.3160 55.5485 18.1801 180.4447 44 R 4.3115 7.9173 111.2374 57.9082 29.9814 177.4374 45 Q 4.4327 8.1814 116.5657 56.3603 29.8377 178.0206 46 I 3.7019 7.6751 119.1289 63.9964 36.9327 176.7221 47 E 4.3288 8.2836 115.5522 56.5590 29.9594 178.1967 48 A 3.7816 7.4779 122.6504 55.7852 19.0303 179.6065 49 A 4.4278 7.8133 116.1390 53.3283 18.7047 178.1707 50 R 4.5792 8.3504 114.0007 55.7246 30.2263 175.8605 51 R 4.4351 7.7938 114.2514 56.7627 32.9868 176.0783 52 A 4.7189 7.7614 118.0665 51.6245 20.6494 175.1053 53 M 4.7843 7.9840 116.3769 55.6063 35.6841 174.7516 54 T 3.6329 8.8841 121.6964 63.7574 67.7539 173.9658 55 R 3.9486 8.4914 123.4035 59.0797 30.3890 176.9661 56 A 4.0692 8.4739 120.7351 55.1243 18.1015 177.0700 57 V 4.4833 7.3207 105.7066 60.1207 35.8481 175.5353 58 K 4.2194 8.6403 118.0835 56.5147 31.7155 178.3839 59 R 3.7665 7.4719 112.7245 57.3481 29.7824 177.3729 60 Q 4.2610 7.8329 116.9817 55.2901 26.8427 174.6877 61 G 4.2589 7.9425 110.3152 42.8551 0.0000 169.5875 62 K 3.9508 8.2818 117.9586 56.9348 32.6591 176.6366 63 I 5.6215 8.1089 124.7657 58.2404 41.3368 175.4170 64 W 4.6628 8.9024 125.2010 55.1129 30.5685 174.9327 65 I 4.6426 8.2188 124.7594 59.3215 40.4107 175.3236 66 R 4.5801 8.7913 121.2793 54.3406 30.7779 174.8315 67 V 3.9727 8.4105 123.1026 59.5224 32.9241 176.1897 68 F 4.8700 7.4790 119.2457 54.6204 38.0783 171.7925 69 P 4.9108 0.0000 0.0000 63.4013 31.7882 177.6761 70 D 4.9862 8.4715 114.0337 55.8234 40.4334 176.8959 71 K 4.8022 8.1567 116.9612 55.4695 32.4143 173.8642 72 P 4.9281 0.0000 0.0000 63.3029 32.7290 176.0655 73 I 3.9778 8.4546 109.6538 60.0617 38.8837 175.5566 74 T 3.0375 8.4081 112.7412 63.3744 68.2566 169.7348 75 E 4.5354 8.1696 123.3393 55.2439 31.8017 173.5119 76 K 5.0120 8.4338 113.9849 55.4690 35.2561 174.1127 77 P 4.5207 0.0000 0.0000 61.7170 32.7947 175.3878 78 L 3.8752 8.3224 118.9277 56.4847 42.3771 178.5685 79 A 3.8012 8.6754 128.6821 54.1028 17.7585 178.9417 80 V 4.0045 7.9352 106.6087 61.9360 31.2751 178.0943 81 R 3.8674 8.1460 121.7386 59.4026 30.1877 177.0827 82 M 4.2162 7.9712 116.0556 54.6916 31.9412 177.4490 83 G 3.9712 8.9298 112.6138 48.5930 0.0000 175.2433 84 K 3.9877 8.1981 118.0376 59.2935 32.3537 177.1938 85 G 4.1472 8.0734 104.0068 46.5004 0.0000 175.0042 86 K 4.5376 7.6994 120.5470 57.2985 34.8933 176.6941 87 G 4.0359 8.2824 111.7183 46.1768 0.0000 174.4236 88 N 4.8550 5.7700 124.9174 51.3194 40.7783 173.2224 89 V 4.1912 8.0979 116.7790 61.4661 33.7544 175.5195 90 E 4.3938 8.6951 123.7409 55.6118 31.4265 174.9801 91 Y 3.9147 7.7453 117.4493 58.7268 35.4487 170.2531 92 W 4.7281 9.2556 128.5508 57.9167 31.8139 175.6252 93 V 3.6469 7.0383 118.0518 59.4235 33.3456 173.1649 94 A 3.4320 6.4490 127.1717 51.2994 18.3511 177.3185 95 L 4.2187 7.9303 121.8504 53.9649 40.8655 176.8450 96 I 3.8781 7.9243 124.3502 63.6753 37.6503 177.7787 97 Q 4.7070 7.9044 113.4761 55.4652 34.1705 172.4584 98 P 4.4877 0.0000 0.0000 63.5867 32.1635 176.2319 99 G 4.1055 9.2454 106.4673 45.4436 0.0000 175.8949 100 K 3.9872 8.1940 119.4618 59.1450 32.1446 178.2947 101 V 4.4532 7.6135 116.5941 61.2419 31.9005 173.2280 102 L 3.7858 8.0749 126.3500 56.1510 41.0787 173.5226 103 Y 4.3161 5.3700 121.4173 55.5955 38.4081 174.9116 104 E 3.9428 8.5073 130.0064 58.8769 29.8776 176.9336 105 M 4.1302 6.7081 117.7321 54.0636 32.7145 175.6576 106 D 4.5878 8.4307 119.2553 54.1678 38.3343 175.3058 107 G 4.3585 8.2470 113.8957 45.1598 0.0000 170.0509 108 V 4.4041 8.2714 117.2194 60.2283 34.4193 174.9529 109 P 4.1897 0.0000 0.0000 65.6770 31.5840 177.3547 110 E 4.0674 8.3063 118.5430 59.2893 29.8025 178.5403 111 E 3.9764 7.8774 116.5920 58.9108 29.4915 177.9613 112 L 4.4551 7.7438 114.9265 54.7449 42.9818 177.4349 113 A 4.2162 7.9240 122.9389 55.1234 18.7836 179.8581 114 R 4.1275 7.8877 113.3888 58.1947 30.3296 178.5586 115 E 4.0590 7.8576 117.4089 58.8812 29.7020 177.5118 116 A 4.6193 7.6732 121.2250 51.4361 20.1124 176.0107 117 F 4.7554 8.4991 113.4493 56.9256 38.9280 177.3517 118 K 4.1281 7.3978 121.9172 57.7096 32.0957 176.4026 119 L 3.9383 7.2716 120.3137 57.6255 42.4938 178.7832 120 A 4.2086 8.4420 126.1562 50.8665 17.8079 177.6380 121 A 3.9489 8.5071 122.1960 54.3125 18.9788 180.1970 122 A 3.6735 7.2348 117.1775 53.2174 14.9107 176.1828 123 K 4.6192 8.1341 121.5389 55.3680 35.5414 176.8359 124 L 4.4821 8.0508 120.3651 52.3119 41.1173 173.9186 125 P 4.3910 0.0000 0.0000 62.0246 32.2847 176.8598 126 I 3.7264 8.4861 123.8197 63.9445 38.1301 177.5889 127 K 3.8678 8.1165 116.8088 57.8381 32.3249 176.3121 128 T 4.2771 7.7221 110.3834 61.0157 69.7507 174.2386 129 T 4.3567 7.6963 113.3751 60.0512 71.4737 173.7056 130 F 4.3940 7.7722 116.3963 58.2030 38.6267 176.9244 131 V 4.0679 7.0362 122.4872 62.0961 29.5080 176.1624 132 T 3.9520 8.0460 114.9766 63.8973 68.3319 176.0450 133 K 3.9264 8.2022 121.0293 59.2474 31.8256 177.8348 134 T 3.8259 7.5856 111.7633 63.5607 67.3961 175.2109 135 V 3.8474 7.5165 112.6882 63.5849 32.0456 176.0358 136 M 4.3380 7.4477 122.0743 55.3016 31.2013 174.9407 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 4.38 0.00 1.96 2.11 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.66 0.00 2 L 7.61 3.99 0.00 1.69 1.53 0.89 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 3 Q 7.48 3.79 0.00 1.93 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 7.02 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 4 P 0.00 4.51 0.00 2.25 2.24 0.00 3.79 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.96 0.00 5 K 9.00 3.91 0.00 2.07 2.16 0.00 1.50 0.00 0.00 1.87 0.00 0.00 2.93 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.41 1.39 7.81 6 R 8.26 4.06 0.00 1.86 2.03 0.00 3.15 0.00 0.00 3.19 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.66 0.00 7 T 7.51 3.87 4.43 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 1.31 0.00 0.00 8 K 8.51 4.06 0.00 1.82 1.88 0.00 1.94 0.00 0.00 1.62 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.42 7.81 9 F 8.45 3.39 0.00 3.35 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 10 R 5.84 4.07 0.00 0.95 1.63 0.00 2.89 0.00 0.00 3.21 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.89 0.00 11 K 7.66 4.24 0.00 2.03 2.21 0.00 1.71 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.62 1.49 7.81 12 M 7.51 4.20 0.00 1.97 2.06 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.46 0.00 13 H 8.32 4.99 0.00 3.16 3.04 0.00 5.74 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 7.44 4.26 0.00 1.86 1.90 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.14 1.29 7.81 15 G 7.26 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 16 R 8.11 4.65 0.00 1.70 1.76 0.00 3.34 0.00 0.00 3.38 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.68 0.00 17 N 8.46 4.64 0.00 2.68 2.76 0.00 0.00 7.00 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 18 R 8.13 4.17 0.00 1.73 1.86 0.00 3.13 0.00 0.00 3.10 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 19 G 7.52 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 20 L 7.87 4.46 0.00 1.80 1.95 0.98 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.61 4.06 1.06 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 22 Q 8.16 4.49 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.11 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 23 G 7.61 4.45 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 0.00 24 T 7.58 4.57 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 1.23 0.00 0.00 25 D 7.81 4.73 0.00 2.78 2.68 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 26 V 8.36 4.23 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 0.78 0.00 0.00 0.96 0.00 0.00 27 S 8.84 5.12 0.00 4.05 4.51 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 28 F 8.54 3.93 0.00 1.52 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 29 G 9.13 3.30 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 0.00 30 S 8.23 3.47 0.00 4.16 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 F 9.07 3.76 0.00 3.15 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 32 G 9.20 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.57 3.59 0.00 2.06 1.95 0.98 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 34 K 8.06 4.55 0.00 2.05 1.99 0.00 1.70 0.00 0.00 1.55 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.41 7.81 35 A 8.48 4.80 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 36 V 8.20 4.06 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 0.86 0.00 0.00 0.93 0.00 0.00 37 G 8.19 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 38 R 8.45 4.21 0.00 1.80 1.96 0.00 3.30 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 39 G 8.16 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 40 R 8.53 4.23 0.00 1.90 2.12 0.00 3.30 0.00 0.00 3.27 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.73 0.00 41 L 7.86 4.12 0.00 1.69 1.63 0.90 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 42 T 8.41 4.30 4.34 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 1.25 0.00 0.00 43 A 8.70 3.92 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 44 R 7.92 4.31 0.00 1.81 2.01 0.00 3.31 0.00 0.00 2.35 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 45 Q 8.18 4.43 0.00 2.21 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.82 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 46 I 7.68 3.70 1.91 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.25 0.83 0.00 0.00 47 E 8.28 4.33 0.00 2.13 2.15 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 2.44 2.27 0.00 48 A 7.48 3.78 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 49 A 7.81 4.43 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 50 R 8.35 4.58 0.00 1.82 1.90 0.00 3.09 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 51 R 7.79 4.44 0.00 1.88 1.83 0.00 3.25 0.00 0.00 3.53 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 52 A 7.76 4.72 1.22 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 0.00 0.00 0.00 0.00 0.00 0.00 53 M 7.98 4.78 0.00 2.14 1.87 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.54 0.00 54 T 8.88 3.63 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 1.18 0.00 0.00 55 R 8.49 3.95 0.00 1.77 1.99 0.00 3.28 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 56 A 8.47 4.07 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 57 V 7.32 4.48 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 0.75 0.00 0.00 0.89 0.00 0.00 58 K 8.64 4.22 0.00 1.76 1.85 0.00 1.91 0.00 0.00 1.76 0.00 0.00 2.84 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.43 7.81 59 R 7.47 3.77 0.00 1.93 2.20 0.00 3.06 0.00 0.00 3.32 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 60 Q 7.83 4.26 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 61 G 7.94 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 62 K 8.28 3.95 0.00 1.45 1.63 0.00 1.53 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.42 1.34 7.81 63 I 8.11 5.62 1.88 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.33 0.90 0.00 0.00 64 W 8.90 4.66 0.00 2.90 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 I 8.22 4.64 1.89 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 1.54 0.63 0.92 0.00 0.00 66 R 8.79 4.58 0.00 2.29 2.07 0.00 3.31 0.00 0.00 3.47 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.89 0.00 67 V 8.41 3.97 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 0.77 0.00 0.00 0.79 0.00 0.00 68 F 7.48 4.87 0.00 3.07 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 69 P 0.00 4.91 0.00 2.56 2.27 0.00 3.71 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.89 0.00 70 D 8.47 4.99 0.00 2.80 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 K 8.16 4.80 0.00 1.99 1.96 0.00 1.73 0.00 0.00 2.00 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.54 1.60 7.81 72 P 0.00 4.93 0.00 2.26 2.14 0.00 3.80 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.93 0.00 73 I 8.45 3.98 1.46 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 1.21 0.51 -0.10 0.00 0.00 74 T 8.41 3.04 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 75 E 8.17 4.54 0.00 1.88 1.71 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 2.16 2.19 0.00 76 K 8.43 5.01 0.00 1.87 1.74 0.00 1.23 0.00 0.00 2.52 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.29 1.31 7.81 77 P 0.00 4.52 0.00 2.19 2.13 0.00 3.94 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 78 L 8.32 3.88 0.00 1.73 1.57 0.91 1.03 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 79 A 8.68 3.80 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 V 7.94 4.00 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 0.76 0.00 0.00 1.03 0.00 0.00 81 R 8.15 3.87 0.00 1.78 2.02 0.00 3.19 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 1.63 1.65 0.00 82 M 7.97 4.22 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.63 0.00 83 G 8.93 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 84 K 8.20 3.99 0.00 1.89 2.01 0.00 1.58 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.47 7.81 85 G 8.07 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 86 K 7.70 4.54 0.00 1.90 1.84 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.86 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.58 1.42 7.81 87 G 8.28 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 0.00 0.00 0.00 88 N 5.77 4.85 0.00 2.72 2.87 0.00 0.00 6.67 9.01 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 89 V 8.10 4.19 1.63 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 -0.17 0.00 0.00 0.73 0.00 0.00 90 E 8.70 4.39 0.00 2.13 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 2.27 0.00 91 Y 7.75 3.91 0.00 3.18 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 W 9.26 4.73 0.00 3.17 3.25 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 0.00 93 V 7.04 3.65 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 0.50 0.00 0.00 0.60 0.00 0.00 94 A 6.45 3.43 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 L 7.93 4.22 0.00 1.55 1.73 1.00 1.01 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 96 I 7.92 3.88 1.79 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 1.24 0.85 0.91 0.00 0.00 97 Q 7.90 4.71 0.00 2.04 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.20 6.89 0.00 0.00 0.00 0.00 0.00 2.37 2.53 0.00 98 P 0.00 4.49 0.00 2.15 2.02 0.00 3.52 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 2.09 0.00 99 G 9.25 4.11 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 0.00 100 K 8.19 3.99 0.00 1.80 1.95 0.00 1.78 0.00 0.00 1.79 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.48 7.81 101 V 7.61 4.45 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 0.79 0.00 0.00 0.94 0.00 0.00 102 L 8.07 3.79 0.00 2.05 1.83 1.10 0.86 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 0.00 103 Y 5.37 4.32 0.00 2.49 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 0.00 0.00 0.00 104 E 8.51 3.94 0.00 1.84 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 2.22 1.61 0.00 105 M 6.71 4.13 0.00 1.75 0.57 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 2.23 2.32 0.00 106 D 8.43 4.59 0.00 2.83 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 0.00 107 G 8.25 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.27 4.40 2.15 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 1.09 0.00 0.00 1.07 0.00 0.00 109 P 0.00 4.19 0.00 1.85 1.90 0.00 3.43 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.63 0.00 110 E 8.31 4.07 0.00 1.96 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 2.37 2.31 0.00 111 E 7.88 3.98 0.00 2.00 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 2.38 2.45 0.00 112 L 7.74 4.46 0.00 1.65 1.67 0.57 0.63 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 0.00 113 A 7.92 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 0.00 114 R 7.89 4.13 0.00 1.94 1.95 0.00 3.16 0.00 0.00 3.32 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 115 E 7.86 4.06 0.00 2.06 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 2.37 2.41 0.00 116 A 7.67 4.62 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 0.00 117 F 8.50 4.76 0.00 3.05 3.07 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 0.00 118 K 7.40 4.13 0.00 1.44 1.63 0.00 1.65 0.00 0.00 1.60 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.26 1.40 7.81 119 L 7.27 3.94 0.00 1.61 1.72 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 120 A 8.44 4.21 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.51 3.95 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 A 7.23 3.67 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 0.00 123 K 8.13 4.62 0.00 1.70 1.72 0.00 1.62 0.00 0.00 1.72 0.00 0.00 3.13 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.47 7.81 124 L 8.05 4.48 0.00 1.51 1.53 0.46 1.00 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 0.00 125 P 0.00 4.39 0.00 2.15 2.05 0.00 3.76 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 126 I 8.49 3.73 1.82 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 1.36 1.26 0.87 0.00 0.00 127 K 8.12 3.87 0.00 1.74 1.82 0.00 1.77 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.41 1.43 7.81 128 T 7.72 4.28 4.13 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 1.18 0.00 0.00 129 T 7.70 4.36 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 130 F 7.77 4.39 0.00 3.07 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 0.00 131 V 7.04 4.07 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 0.97 0.00 0.00 0.81 0.00 0.00 132 T 8.05 3.95 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 133 K 8.20 3.93 0.00 1.76 1.90 0.00 1.67 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.53 1.45 7.81 134 T 7.59 3.83 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 135 V 7.52 3.85 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 0.75 0.00 0.00 0.93 0.00 0.00 136 M 7.45 4.34 0.00 1.90 1.94 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.57 0.00