NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 M 4.6164 8.3044 120.2870 55.3075 33.8423 174.1472 3 V 4.0422 8.9477 123.7033 59.6577 32.6436 173.3124 4 W 4.4873 9.0768 135.0000 57.3453 31.7295 174.8229 5 T 3.9730 7.9188 122.1238 61.5283 67.1318 172.2233 6 P 4.6390 0.0000 0.0000 62.7227 32.1956 175.2488 7 V 4.0911 7.4487 119.5846 62.7043 32.5520 175.2269 8 N 4.2890 8.6179 124.8785 55.0351 36.1248 173.8131 9 N 4.8008 7.7342 109.5492 52.7158 40.0341 174.2191 10 K 4.0834 8.3075 115.9606 56.7322 32.7691 176.3263 11 M 5.0705 8.3787 120.1570 53.8911 35.7849 175.2218 12 F 4.6151 8.0762 115.8817 57.1268 40.7647 175.8306 13 E 3.5653 8.0656 121.7370 56.8252 27.9687 174.4237 14 T 3.7524 8.3820 118.8214 66.6495 68.8223 173.9561 15 F 4.5097 9.1022 124.1196 57.6294 36.6857 176.5883 16 S 4.4306 8.3570 115.0532 60.5796 63.0303 174.5243 17 Y 4.4161 8.3186 117.2783 57.8946 37.9775 174.8195 18 L 4.7897 7.4867 119.7620 51.9833 44.0778 174.5013 19 P 4.4764 0.0000 0.0000 61.6558 31.8265 174.9565 20 P 4.2189 0.0000 0.0000 63.0322 31.6783 176.5253 21 L 4.2191 8.3233 123.1736 54.6279 42.2656 177.8828 22 S 4.5000 8.7987 118.7699 57.6573 65.4355 175.2287 23 D 4.3402 8.4794 121.4133 57.4100 40.5394 178.6881 24 E 3.9100 8.0697 119.4481 59.4201 29.8036 178.7865 25 Q 3.9520 7.9264 117.9456 58.7834 28.6970 178.7463 26 I 3.7508 8.0092 120.9126 64.3340 37.2142 178.3198 27 A 4.0825 8.3661 121.6093 55.0142 18.2440 179.5664 28 A 4.1384 7.8938 119.3327 55.4932 18.4267 179.9192 29 Q 4.1210 7.9603 116.1839 59.0494 28.7964 179.0952 30 V 3.7560 8.0030 119.4626 66.1688 31.6082 177.8024 31 D 4.4382 8.3557 118.6992 57.4616 40.4793 178.1268 32 Y 4.2383 8.0450 119.8300 60.7290 38.7931 178.2118 33 I 3.9004 7.8968 120.6558 64.5149 37.2691 178.5469 34 V 3.5087 7.8998 118.6304 66.0656 31.1750 177.8059 35 A 3.8964 8.1882 119.4756 54.7654 18.2124 178.3405 36 N 4.0997 7.0741 112.2112 51.9608 38.5575 175.4810 37 G 3.7738 7.4453 108.2044 46.2657 0.0000 174.2252 38 W 4.9282 7.5361 118.8027 55.7436 30.9899 176.3947 39 I 4.3441 8.8489 123.1136 59.5587 37.7631 174.0911 40 P 4.8147 0.0000 0.0000 62.9876 32.7511 175.2124 41 C 4.9602 8.7346 120.9971 58.5115 35.5861 172.4387 42 L 5.3529 8.6978 124.1682 53.1729 44.6511 175.1816 43 E 5.6019 9.1522 121.0206 54.9209 34.2519 174.5013 44 F 5.6280 9.3029 116.4294 55.9250 42.2278 172.9539 45 A 4.4687 8.1628 118.9951 50.4751 22.5985 176.3387 46 E 4.3566 8.5059 118.9074 55.7031 30.8796 177.6991 47 S 4.4065 9.0079 114.6995 62.0384 62.2646 176.3516 48 D 4.5604 8.1713 117.0889 56.1699 40.7507 176.9555 49 K 4.6373 7.9214 117.6851 56.0742 32.5721 177.0784 50 A 3.9432 7.7054 124.8432 54.1551 18.7426 178.4738 51 Y 4.7075 7.4583 111.1761 55.7046 40.2699 176.1051 52 V 4.5147 8.5377 115.5499 61.5213 32.2535 175.6032 53 S 4.7957 8.4190 116.2722 57.3689 66.4019 173.7529 54 N 5.0553 8.5334 114.4752 52.7318 39.3638 176.3699 55 E 3.9127 8.5103 119.4080 60.1677 29.2999 179.6555 56 S 4.0008 8.9098 116.1724 60.3186 62.8032 176.1614 57 A 2.5800 7.6925 123.2782 53.7275 17.7432 179.1020 58 I 3.5835 7.0400 116.5458 63.3207 38.0818 177.0603 59 R 4.3491 7.4440 116.5335 55.5007 30.5309 176.2952 60 F 4.9659 7.2787 118.1989 56.4689 41.0828 176.4583 61 G 4.1033 8.1695 114.5141 46.1497 0.0000 175.5813 62 S 4.6429 8.4315 113.8172 58.8705 62.4149 174.4410 63 V 4.4345 7.2683 107.2168 61.1839 32.9608 177.6020 64 S 4.4751 8.2223 114.6367 59.3684 63.6368 173.3948 65 C 3.9439 8.0873 118.9494 61.6470 27.9649 173.3035 66 L 3.5413 8.4985 123.6953 55.7120 38.9471 173.3400 67 Y 4.4196 7.4503 118.6267 55.7820 40.7208 174.3999 68 Y 4.8231 7.1334 122.9132 56.5853 42.3622 174.3437 69 D 4.5967 9.0379 123.1637 54.8535 42.1830 177.3195 70 N 4.8289 8.9214 117.0751 53.8727 35.9715 175.9526 71 R 3.9800 7.8861 118.4752 59.1754 30.4395 177.0329 72 Y 4.4338 7.7365 114.6306 57.6814 38.4808 174.5964 73 W 5.0828 8.6952 123.2036 55.1842 33.2022 174.4217 74 T 4.2667 8.3137 117.4708 62.6789 69.3680 174.6170 75 M 4.6953 8.5181 126.5342 55.2597 33.2260 175.1162 76 W 4.8656 9.4529 135.0000 56.0182 31.3911 176.7615 77 K 3.3945 8.5273 128.5442 57.5512 30.5985 177.7602 78 L 4.9344 8.2230 125.3311 52.7484 45.3017 173.9926 79 P 4.2756 0.0000 0.0000 63.3241 32.2487 177.6489 80 M 4.3133 8.7023 123.3031 53.7122 30.3852 175.6843 81 F 4.4576 7.3394 118.3653 58.9535 39.9785 176.4525 82 G 3.9819 9.1492 112.6401 45.6023 0.0000 172.9600 83 C 4.3201 7.9129 120.7592 59.5730 31.8226 173.3312 84 R 4.5826 8.5662 124.0528 55.6214 31.6751 174.5196 85 D 4.7646 7.9284 118.5307 51.1082 42.3379 174.1550 86 P 4.3395 0.0000 0.0000 66.3012 30.9569 178.1167 87 M 4.1173 8.4694 118.4610 58.1927 31.8028 178.4093 88 Q 3.9763 8.2932 119.9666 59.0110 29.2053 178.4147 89 V 3.6269 7.7490 118.8717 66.0508 31.7771 177.8480 90 L 4.0256 8.0264 118.7166 57.8494 41.3320 179.7736 91 R 3.9620 8.1508 118.1467 59.3587 30.0100 179.0067 92 E 4.0824 8.3822 118.3588 59.2873 29.4033 179.4364 93 I 3.5295 7.7022 120.1491 64.1684 37.1213 178.6495 94 V 3.4554 7.6155 118.3625 65.8165 31.3872 177.9002 95 A 3.9381 8.0873 120.7420 55.2170 18.2560 179.1785 96 C 2.0000 7.8305 117.4750 62.0781 31.0414 176.0050 97 T 3.7313 7.5346 111.0620 64.2540 67.9398 176.3286 98 K 3.8756 7.6079 122.0260 59.2686 32.3105 178.3846 99 A 4.0139 7.6147 120.1572 53.5278 19.9033 177.6565 100 F 4.6556 7.8402 115.5493 54.7147 39.1413 173.9352 101 P 4.3840 0.0000 0.0000 64.3951 31.6649 177.9489 102 D 4.7473 8.1001 116.5679 53.7007 41.1675 175.1929 103 A 4.8608 7.4051 120.1955 50.0894 21.9818 176.8081 104 Y 4.1787 8.6690 117.6732 57.8905 39.4899 175.2954 105 V 5.3197 8.8153 122.4443 61.2882 35.4885 174.2211 106 R 4.9599 9.3729 123.2014 54.3306 33.1927 173.5168 107 L 4.8115 8.2643 123.6838 53.8689 44.0158 175.6732 108 V 4.9174 8.7156 118.2352 59.6812 36.7738 174.0088 109 A 4.8942 8.0564 121.3156 50.5770 22.7157 175.3095 110 F 5.3077 9.0831 120.0137 55.7303 42.6966 174.1337 111 D 5.4330 8.7234 121.9692 52.7018 42.7482 176.4493 112 N 4.7711 9.1886 122.7880 54.0778 38.4405 176.3938 113 Q 4.1559 9.0003 119.0447 58.9211 28.9195 177.3716 114 K 4.1631 8.3331 113.7897 56.1170 32.9666 176.3719 115 Q 3.4520 7.8997 117.8120 55.3527 26.8038 172.2951 116 V 4.3130 7.7757 116.8085 60.1680 34.8162 173.1651 117 Q 4.4536 8.8211 123.1977 56.5553 29.2327 175.6076 118 I 3.9749 7.9519 125.2335 61.3389 39.0211 174.2515 119 M 4.3454 6.5794 119.2914 54.9084 35.4887 173.2768 120 G 5.0662 8.3068 113.3994 47.5182 0.0000 171.7974 121 F 4.9964 7.0688 114.8567 55.3153 40.9956 172.8259 122 L 4.4764 8.8718 122.8739 55.6256 42.0232 176.8121 123 V 4.5025 8.9000 117.9917 61.4162 34.0909 175.5536 124 Q 4.5077 7.6868 120.6262 54.5397 32.5616 173.0299 125 R 4.2419 8.0062 124.2426 53.2747 33.5041 172.8780 126 P 4.0663 0.0000 0.0000 62.8328 31.6867 177.5411 127 K 3.8752 8.8958 123.9566 59.4541 32.1653 178.2678 128 S 4.2957 7.9793 111.2708 59.6493 63.5866 174.4426 129 A 4.3437 7.9232 125.6382 52.7329 18.4507 177.6372 130 R 4.6095 8.5774 118.2238 56.1839 30.2814 174.9175 131 D 4.9371 8.7210 116.1011 53.4863 39.7892 175.2695 132 W 5.5885 7.5580 114.3158 54.1457 31.3732 173.9907 133 Q 4.4166 8.4891 117.4797 53.0461 31.1337 174.1985 134 P 4.6490 0.0000 0.0000 62.2300 32.0644 176.9820 135 A 3.9778 8.8906 122.6145 55.7992 18.1187 179.3264 136 N 4.7233 8.1131 108.6112 53.6927 37.4717 175.3874 137 K 4.4475 7.9457 117.2533 56.4719 33.0624 177.3104 138 R 3.6424 7.5154 119.0678 57.5895 30.1830 176.5232 139 S 4.9637 7.3445 110.9162 56.3635 66.2632 174.2724 140 V 3.9763 8.6653 115.1050 61.6985 32.0365 175.5786 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 2 M 8.30 4.62 0.00 1.98 2.16 0.00 0.00 0.00 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.53 0.00 3 V 8.95 4.04 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 1.03 0.00 0.00 0.96 0.00 0.00 4 W 9.08 4.49 0.00 3.45 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 5 T 7.92 3.97 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 0.95 0.00 0.00 6 P 0.00 4.64 0.00 2.24 2.20 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 1.93 1.96 0.00 7 V 7.45 4.09 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 0.76 0.00 0.00 0.91 0.00 0.00 8 N 8.62 4.29 0.00 2.86 2.75 0.00 0.00 6.53 6.92 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 9 N 7.73 4.80 0.00 2.55 2.73 0.00 0.00 7.28 6.68 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 10 K 8.31 4.08 0.00 2.11 1.85 0.00 0.61 0.00 0.00 1.35 0.00 0.00 2.29 0.00 0.00 2.39 0.00 0.00 0.00 0.00 1.36 1.51 7.81 11 M 8.38 5.07 0.00 2.12 2.10 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.67 0.00 12 F 8.08 4.62 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 13 E 8.07 3.57 0.00 2.14 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 2.14 0.00 14 T 8.38 3.75 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 0.12 0.00 0.00 15 F 9.10 4.51 0.00 3.27 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 16 S 8.36 4.43 0.00 4.14 4.23 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 17 Y 8.32 4.42 0.00 3.04 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 18 L 7.49 4.79 0.00 1.77 1.59 0.82 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.48 0.00 2.04 2.00 0.00 3.71 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 2.14 0.00 20 P 0.00 4.22 0.00 2.05 2.00 0.00 3.72 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 2.12 2.19 0.00 21 L 8.32 4.22 0.00 1.57 1.47 0.24 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 22 S 8.80 4.50 0.00 4.04 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 23 D 8.48 4.34 0.00 2.70 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 24 E 8.07 3.91 0.00 2.02 1.91 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 2.35 2.39 0.00 25 Q 7.93 3.95 0.00 2.25 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.59 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 26 I 8.01 3.75 2.07 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.80 1.12 0.00 0.00 27 A 8.37 4.08 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 28 A 7.89 4.14 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 29 Q 7.96 4.12 0.00 2.50 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.75 0.00 0.00 0.00 0.00 0.00 2.42 1.96 0.00 30 V 8.00 3.76 2.32 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 1.14 0.00 0.00 1.11 0.00 0.00 31 D 8.36 4.44 0.00 3.00 2.75 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 32 Y 8.05 4.24 0.00 3.13 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 33 I 7.90 3.90 2.16 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.87 1.05 0.00 0.00 34 V 7.90 3.51 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 1.08 0.00 0.00 1.03 0.00 0.00 35 A 8.19 3.90 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 36 N 7.07 4.10 0.00 1.44 1.42 0.00 0.00 7.01 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 G 7.45 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 0.00 0.00 0.00 38 W 7.54 4.93 0.00 3.35 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 39 I 8.85 4.34 2.10 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.81 0.71 0.00 0.00 40 P 0.00 4.81 0.00 2.08 1.98 0.00 3.80 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.13 0.00 41 C 8.73 4.96 0.00 3.05 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 42 L 8.70 5.35 0.00 1.83 1.59 0.80 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 43 E 9.15 5.60 0.00 2.10 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 2.38 2.33 0.00 44 F 9.30 5.63 0.00 2.91 2.98 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 45 A 8.16 4.47 -0.13 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 0.00 0.00 46 E 8.51 4.36 0.00 2.19 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 0.00 2.30 2.37 0.00 47 S 9.01 4.41 0.00 4.02 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 48 D 8.17 4.56 0.00 2.74 2.75 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 49 K 7.92 4.64 0.00 1.52 1.69 0.00 1.80 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.34 1.43 7.81 50 A 7.71 3.94 0.55 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 0.00 0.00 0.00 51 Y 7.46 4.71 0.00 2.91 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 52 V 8.54 4.51 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 0.59 0.00 0.00 0.77 0.00 0.00 53 S 8.42 4.80 0.00 3.99 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 54 N 8.53 5.06 0.00 2.78 2.88 0.00 0.00 6.50 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 55 E 8.51 3.91 0.00 2.19 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.71 0.00 56 S 8.91 4.00 0.00 3.97 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 57 A 7.69 2.58 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 I 7.04 3.58 1.79 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 1.48 0.81 0.88 0.00 0.00 59 R 7.44 4.35 0.00 1.79 1.98 0.00 3.19 0.00 0.00 3.20 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 60 F 7.28 4.97 0.00 3.02 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 61 G 8.17 4.10 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 0.00 0.00 0.00 62 S 8.43 4.64 0.00 3.86 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 63 V 7.27 4.43 1.84 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 0.66 0.00 0.00 0.52 0.00 0.00 64 S 8.22 4.48 0.00 4.12 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 0.00 65 C 8.09 3.94 0.00 2.95 2.95 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 66 L 8.50 3.54 0.00 1.76 1.73 0.94 0.96 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 67 Y 7.45 4.42 0.00 2.90 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 68 Y 7.13 4.82 0.00 2.82 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 69 D 9.04 4.60 0.00 2.76 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 70 N 8.92 4.83 0.00 3.06 3.26 0.00 0.00 6.99 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 71 R 7.89 3.98 0.00 1.52 1.71 0.00 3.10 0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 72 Y 7.74 4.43 0.00 3.04 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 73 W 8.70 5.08 0.00 3.06 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 T 8.31 4.27 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 0.85 0.00 0.00 75 M 8.52 4.70 0.00 2.08 2.03 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 2.71 2.80 0.00 76 W 9.45 4.87 0.00 3.65 3.29 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 77 K 8.53 3.39 0.00 1.69 0.84 0.00 1.77 0.00 0.00 1.55 0.00 0.00 2.71 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.76 0.21 7.81 78 L 8.22 4.93 0.00 1.60 1.58 1.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 79 P 0.00 4.28 0.00 0.76 1.85 0.00 3.69 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.18 0.00 80 M 8.70 4.31 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.54 0.00 81 F 7.34 4.46 0.00 3.12 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 82 G 9.15 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 83 C 7.91 4.32 0.00 3.07 2.95 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 84 R 8.57 4.58 0.00 1.79 1.84 0.00 3.20 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.82 0.00 85 D 7.93 4.76 0.00 2.64 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.34 0.00 2.33 2.34 0.00 3.77 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 2.10 2.09 0.00 87 M 8.47 4.12 0.00 2.08 2.33 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 2.70 0.00 88 Q 8.29 3.98 0.00 2.16 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 89 V 7.75 3.63 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.97 0.00 0.00 90 L 8.03 4.03 0.00 1.92 1.71 0.94 0.81 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 91 R 8.15 3.96 0.00 2.14 2.01 0.00 3.15 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 92 E 8.38 4.08 0.00 2.21 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 2.60 2.67 0.00 93 I 7.70 3.53 1.99 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 1.32 0.91 0.83 0.00 0.00 94 V 7.62 3.46 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 0.97 0.00 0.00 0.97 0.00 0.00 95 A 8.09 3.94 1.53 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 96 C 7.83 2.00 0.00 1.23 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 0.00 0.00 0.00 0.00 97 T 7.53 3.73 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 1.13 0.00 0.00 98 K 7.61 3.88 0.00 1.81 1.97 0.00 1.77 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.38 1.39 7.81 99 A 7.61 4.01 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 0.00 100 F 7.84 4.66 0.00 2.83 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 0.00 101 P 0.00 4.38 0.00 2.12 2.12 0.00 3.29 0.00 0.00 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.88 0.00 102 D 8.10 4.75 0.00 2.68 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 0.00 103 A 7.41 4.86 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 0.00 104 Y 8.67 4.18 0.00 2.49 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 0.00 105 V 8.82 5.32 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.98 0.00 0.00 106 R 9.37 4.96 0.00 1.83 1.93 0.00 2.34 0.00 0.00 2.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.40 0.00 107 L 8.26 4.81 0.00 1.44 0.72 0.83 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 108 V 8.72 4.92 1.75 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 0.47 0.00 0.00 0.44 0.00 0.00 109 A 8.06 4.89 1.16 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 0.00 110 F 9.08 5.31 0.00 2.99 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 0.00 111 D 8.72 5.43 0.00 2.43 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 N 9.19 4.77 0.00 2.94 3.05 0.00 0.00 6.32 7.39 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 0.00 113 Q 9.00 4.16 0.00 2.27 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.89 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 114 K 8.33 4.16 0.00 1.75 1.86 0.00 1.91 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.46 7.81 115 Q 7.90 3.45 0.00 2.13 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.82 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 116 V 7.78 4.31 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 0.52 0.00 0.00 0.92 0.00 0.00 117 Q 8.82 4.45 0.00 2.16 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.87 0.00 0.00 0.00 0.00 0.00 2.23 2.00 0.00 118 I 7.95 3.97 1.18 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.09 -0.38 0.00 0.00 119 M 6.58 4.35 0.00 1.98 1.93 0.00 0.00 0.00 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.63 0.00 120 G 8.31 5.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 F 7.07 5.00 0.00 3.23 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 0.00 122 L 8.87 4.48 0.00 1.65 1.63 0.76 0.36 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 0.00 123 V 8.90 4.50 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.90 0.00 0.00 124 Q 7.69 4.51 0.00 1.97 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.86 0.00 0.00 0.00 0.00 0.00 2.14 2.22 0.00 125 R 8.01 4.24 0.00 1.38 1.32 0.00 2.21 0.00 0.00 2.45 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.23 0.00 126 P 0.00 4.07 0.00 1.94 1.95 0.00 2.45 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 1.60 1.75 0.00 127 K 8.90 3.88 0.00 1.72 1.90 0.00 1.72 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.41 7.81 128 S 7.98 4.30 0.00 4.01 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 0.00 129 A 7.92 4.34 1.55 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 0.00 0.00 0.00 130 R 8.58 4.61 0.00 1.78 1.93 0.00 3.03 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 131 D 8.72 4.94 0.00 2.95 3.02 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 0.00 132 W 7.56 5.59 0.00 3.64 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 0.00 133 Q 8.49 4.42 0.00 2.02 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.08 0.00 0.00 0.00 0.00 0.00 2.36 2.05 0.00 134 P 0.00 4.65 0.00 2.22 2.16 0.00 3.51 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.82 0.00 135 A 8.89 3.98 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 0.00 136 N 8.11 4.72 0.00 2.83 2.94 0.00 0.00 5.82 7.13 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 0.00 137 K 7.95 4.45 0.00 1.68 1.80 0.00 1.53 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.25 1.32 7.81 138 R 7.52 3.64 0.00 1.36 0.66 0.00 3.17 0.00 0.00 3.21 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 139 S 7.34 4.96 0.00 3.99 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 0.00 140 V 8.67 3.98 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.96 0.00 0.00