NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3740 8.3044 120.3473 55.5725 32.2440 174.0128 2 S 4.6118 8.1032 119.6452 54.7363 65.5709 171.9088 3 S 4.2675 8.2326 119.2376 57.8013 63.5106 174.5762 4 Q 4.0561 8.8363 125.9912 58.1904 28.2298 177.0173 5 I 4.3367 7.0575 109.0413 60.3368 39.0885 176.0470 6 R 4.2996 7.8071 121.5040 56.2553 30.1462 175.4214 7 Q 4.2701 8.7466 119.4409 56.7245 31.7743 173.2811 8 N 4.1139 9.1272 121.6542 54.3957 38.0187 173.0667 9 Y 4.7719 7.4336 118.1973 55.8651 38.3248 174.8598 10 S 4.3416 8.2198 123.1817 58.2410 65.2760 175.1421 11 T 3.7302 8.2743 114.5155 64.4020 68.7547 176.6781 12 D 4.2203 7.8292 121.9872 57.3080 40.8484 178.6052 13 V 3.4914 7.4547 118.1596 65.8796 31.8062 177.1270 14 E 3.6978 7.8609 120.1941 58.5226 29.2491 178.9317 15 A 3.8925 7.8335 120.0871 55.1454 18.5235 179.5519 16 A 3.9778 7.8495 118.7258 54.8395 18.2249 180.0312 17 V 3.5289 8.0095 117.5865 66.3566 31.4909 177.9670 18 N 4.2438 8.0651 115.7600 56.0965 38.3050 177.5779 19 S 4.0899 8.0869 114.8155 61.3736 62.5248 175.9277 20 L 4.0786 8.1010 123.0780 57.9949 41.7076 179.0542 21 V 3.7236 8.1339 118.6867 66.0512 31.4930 177.5791 22 N 4.2956 7.9788 116.6137 56.5689 38.7886 176.6319 23 L 3.9829 8.0336 121.8404 58.3331 42.0550 178.6358 24 Y 3.8234 8.5047 117.0723 60.8941 37.8675 178.1211 25 L 3.8147 8.2318 120.0382 57.4342 41.4877 179.5142 26 Q 3.9121 8.0049 119.5360 59.2384 29.1827 177.9627 27 A 3.7792 7.8944 121.8303 55.0258 18.3135 179.6026 28 S 4.2220 8.5176 111.9674 61.8179 62.7084 175.7775 29 Y 4.4087 8.1338 122.2719 60.9819 38.4482 177.9117 30 T 3.8006 8.2636 117.0646 67.1335 68.5573 176.2559 31 Y 4.1245 7.5924 118.0679 60.6539 37.7876 178.1846 32 L 4.1431 8.0374 121.6771 58.1395 42.1978 179.0620 33 S 4.1500 7.9527 112.5330 61.6278 62.2792 176.0672 34 L 3.7841 7.7448 120.4097 58.1841 41.5102 178.9669 35 G 3.8028 8.6349 106.9553 47.3904 0.0000 175.4268 36 F 4.2773 8.9898 120.7141 59.2471 38.9350 177.3281 37 Y 4.3391 8.4570 119.9971 60.6409 38.7685 177.1392 38 F 4.1557 8.5383 116.0565 58.3455 39.3416 176.1850 39 D 4.6592 7.7901 119.5719 54.8497 41.6934 176.8143 40 R 4.1580 7.5228 119.0011 56.2595 30.5909 177.3994 41 D 4.3719 8.7499 121.5450 56.3082 39.3758 176.9488 42 D 4.5837 7.9771 116.3557 53.6110 39.9902 176.0593 43 V 3.8268 7.4706 117.1640 64.4813 33.1795 175.6654 44 A 3.7808 8.0795 120.7796 52.8909 16.1436 176.7222 45 L 4.7558 8.3470 121.3819 51.5865 44.0000 176.4562 46 E 4.0525 8.4206 122.4147 59.2538 29.9525 177.9224 47 G 3.5860 8.0355 105.2001 48.0604 0.0000 175.6911 48 V 3.2315 7.4586 120.9141 64.8424 31.5110 177.6671 49 S 4.1027 8.2804 113.5137 61.9700 62.2236 175.8481 50 H 4.0579 8.5046 120.9808 58.9509 29.4170 176.8195 51 F 3.9934 7.7922 122.1168 61.4940 39.0868 177.2526 52 F 3.9709 7.7224 117.0959 60.3125 38.4646 178.0583 53 R 3.9264 7.7432 116.9824 58.8141 29.9225 178.7825 54 E 3.9275 7.8086 118.7723 59.4208 29.5196 179.0386 55 L 3.7071 7.1848 118.3987 57.8939 41.0282 179.6543 56 A 4.2014 8.0939 120.7504 54.9831 18.2970 179.0428 57 E 4.0817 8.4570 117.9540 58.6091 29.6812 178.6353 58 E 3.9232 7.9342 118.4776 59.4686 29.6732 179.2945 59 K 4.3732 8.4054 118.4855 59.4162 32.0358 179.4610 60 R 3.4518 7.7406 118.5802 59.1963 29.9416 178.5014 61 E 3.8939 8.1314 118.6335 59.0415 29.4330 179.1945 62 G 3.7442 8.1715 106.2975 48.2858 0.0000 175.3269 63 Y 4.2900 8.0759 120.6702 59.4444 37.9456 177.8667 64 E 4.0806 7.6299 120.1451 58.8205 29.4339 179.2523 65 R 3.9936 8.0774 119.2337 59.3702 30.2623 178.4139 66 L 4.1998 8.1730 118.8646 58.0286 41.5298 179.6209 67 L 4.1140 8.3310 118.9055 57.4350 41.3657 179.5714 68 K 3.9823 7.8438 120.0776 59.6947 32.2141 178.6626 69 M 3.8585 8.0746 118.6039 58.2711 31.7430 177.7623 70 Q 3.8616 8.0238 119.8027 59.5485 29.0454 178.4594 71 N 4.3432 7.6402 115.7565 56.2739 38.5558 177.1883 72 Q 4.0813 7.4278 119.1318 58.7074 28.9960 178.2657 73 R 3.8059 7.7972 118.4671 56.9715 29.8107 178.1165 74 G 3.9875 7.5987 106.2459 45.2564 0.0000 174.0232 75 G 4.5096 7.8331 107.1252 45.1582 0.0000 172.4448 76 R 4.5264 8.4763 117.3782 53.8049 32.8751 175.8232 77 A 4.1862 8.4766 125.6828 51.7449 18.9520 176.6128 78 L 4.4080 8.6607 123.4732 52.7433 44.1207 176.0639 79 F 4.9134 8.4064 122.5582 55.9873 40.4466 175.2157 80 Q 4.7634 8.3321 122.8473 53.4291 31.9582 174.9177 81 D 4.3291 8.4238 118.9629 54.6579 41.2273 176.7107 82 I 4.0923 7.9659 124.4205 59.5537 37.1003 176.0009 83 K 4.0801 8.4813 126.0230 55.9606 32.4483 177.5936 84 K 4.5918 8.5050 122.3574 55.8566 33.1247 174.9487 85 P 4.4152 0.0000 0.0000 62.7676 31.7379 177.6361 86 A 3.7635 8.6085 122.9853 54.4716 18.5183 177.0871 87 E 4.3535 7.0069 113.2771 54.9982 33.5143 174.7180 88 D 4.7365 7.9634 117.2247 54.0457 42.7414 176.3186 89 E 4.0145 7.0114 119.0508 54.2988 32.4336 174.3840 90 W 4.3949 6.4648 124.0789 55.6731 30.6443 177.9204 91 G 3.8416 8.0408 107.5046 47.2433 0.0000 175.2769 92 K 4.5464 8.7724 124.5499 55.1554 34.7171 177.5505 93 T 4.3094 8.6335 116.5522 67.0039 68.2433 175.1306 94 P 4.4280 0.0000 0.0000 65.3288 31.2712 178.4930 95 D 4.4820 8.2602 117.4787 57.2935 41.1917 178.3651 96 A 4.2735 8.4160 121.3117 55.3636 18.3227 179.4174 97 M 4.3435 8.5286 116.9569 58.8587 32.3847 178.6758 98 K 4.1153 8.0985 118.4894 59.1510 32.1395 179.3386 99 A 4.0647 8.2254 121.1660 55.1712 18.3991 179.5870 100 A 3.9865 8.0253 119.0013 55.3906 18.5260 179.4089 101 M 4.0478 8.6633 117.0384 58.7437 32.2861 178.4196 102 A 3.9565 8.0006 120.7982 55.2497 18.6983 179.2971 103 L 3.8778 8.0437 118.8337 58.2703 41.8776 179.1996 104 E 3.9613 8.3922 118.5024 59.4985 29.5000 179.1690 105 K 3.5826 8.0094 118.3489 59.4456 32.1168 179.3450 106 K 3.9169 8.1823 119.7161 59.6456 32.2157 179.0223 107 L 3.9731 7.8936 119.2447 57.4504 41.3611 179.0294 108 N 4.2999 8.8541 118.0896 56.8880 38.9651 176.7134 109 Q 3.9504 8.3850 120.8867 59.1713 29.2427 178.0515 110 A 4.0350 8.0258 121.6806 54.9511 18.2690 179.6948 111 L 3.9374 7.8952 117.5620 58.1545 41.8220 179.4734 112 L 4.0107 8.1588 118.9324 58.2384 41.5525 179.5550 113 D 4.3915 8.3894 118.7733 57.0964 40.8908 178.5099 114 L 4.0523 7.8593 120.6615 58.0952 42.0636 178.5098 115 H 4.2429 8.5257 118.5076 58.9764 29.9605 177.0451 116 A 4.0385 8.2779 122.7989 55.1118 18.1961 179.3908 117 L 4.0397 8.1609 119.0374 58.2099 42.0915 179.4728 118 G 3.6184 7.9514 105.3417 47.6724 0.0000 175.9962 119 S 4.0747 8.1770 117.1992 61.3836 62.6632 176.5406 120 A 4.0111 7.5838 121.6368 55.1954 18.2848 179.2006 121 R 4.1118 7.9604 112.9013 55.7543 31.5789 176.7936 122 T 3.4454 7.4305 114.7869 64.9007 66.2083 173.1826 123 D 4.8085 8.3553 120.6317 50.8132 42.0242 173.8270 124 P 4.3252 0.0000 0.0000 65.2402 31.4933 177.9668 125 H 4.1357 8.2018 118.0789 59.2164 29.9664 176.8346 126 L 4.0504 8.1255 121.6907 58.1004 41.9768 178.4805 127 C 4.2198 7.8414 116.9698 63.0244 28.1541 175.6417 128 D 4.3536 8.5227 119.9180 57.2951 40.2997 177.7541 129 F 4.1474 8.5950 121.4671 61.3569 39.1717 176.9482 130 L 4.3729 8.1315 117.7193 57.2850 41.5189 178.9259 131 E 3.9865 8.1854 117.9332 59.8210 29.3869 179.0607 132 T 3.9900 7.8264 115.2554 66.1214 68.8498 176.1115 133 H 4.2900 7.4946 115.9809 56.2362 29.4286 175.3331 134 F 4.6698 7.6173 117.0062 58.8410 41.4164 176.7970 135 L 3.9828 8.4874 120.7316 58.4850 41.4783 179.5071 136 D 4.3587 8.0397 116.8534 57.1244 41.2733 177.7332 137 E 3.9602 8.1818 118.8509 59.5253 29.4275 179.1017 138 E 4.0475 8.2404 118.4213 59.4815 29.7079 179.5785 139 V 3.6243 7.6563 118.2262 65.7442 31.5266 178.3764 140 K 3.9631 8.1274 118.3955 59.3162 32.0034 178.9759 141 L 3.9897 7.9712 120.5756 58.3368 41.8810 179.1569 142 I 3.7661 8.0164 119.7428 64.3225 37.1640 178.3802 143 K 3.9135 8.0146 120.1322 59.1078 31.8644 178.8991 144 K 3.8524 8.0268 120.1676 59.7779 32.2250 178.8609 145 M 4.1939 8.2939 119.1078 58.2441 31.6950 179.0569 146 G 3.6419 8.4401 106.4055 47.7289 0.0000 175.6693 147 D 4.3651 7.9515 121.0449 57.3743 40.7893 178.4186 148 H 4.1730 8.2730 116.8183 58.9983 28.6541 177.7587 149 L 4.0041 7.9905 120.5771 58.2925 41.3268 179.8397 150 T 3.8920 7.7975 115.3734 66.5616 68.3022 176.6363 151 N 4.3707 8.1528 118.5887 56.1750 38.3862 177.5096 152 L 3.9763 8.3652 119.7150 58.1766 41.8485 178.9242 153 H 4.2933 8.3741 117.0134 58.9003 29.7898 176.9849 154 R 4.0735 7.5357 120.2136 58.6478 31.3048 177.8264 155 L 4.4899 7.5146 119.2918 52.0944 38.2404 177.2059 156 G 3.7384 7.4704 110.8833 46.2763 0.0000 171.6708 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 4.37 0.00 1.96 2.09 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.59 0.00 2 S 8.10 4.61 0.00 3.90 3.69 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 3 S 8.23 4.27 0.00 4.02 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 4 Q 8.84 4.06 0.00 2.19 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 5 I 7.06 4.34 1.84 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 1.17 0.70 0.90 0.00 0.00 6 R 7.81 4.30 0.00 1.82 1.97 0.00 3.22 0.00 0.00 3.04 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.83 0.00 7 Q 8.75 4.27 0.00 2.05 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.03 0.00 0.00 0.00 0.00 0.00 2.23 2.23 0.00 8 N 9.13 4.11 0.00 2.87 2.87 0.00 0.00 7.02 7.54 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 9 Y 7.43 4.77 0.00 2.93 2.84 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 10 S 8.22 4.34 0.00 3.99 3.93 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 11 T 8.27 3.73 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 12 D 7.83 4.22 0.00 2.67 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.45 3.49 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 1.22 0.00 0.00 0.92 0.00 0.00 14 E 7.86 3.70 0.00 1.40 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 0.00 2.21 2.43 0.00 15 A 7.83 3.89 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 A 7.85 3.98 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 17 V 8.01 3.53 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 1.07 0.00 0.00 18 N 8.07 4.24 0.00 2.88 2.91 0.00 0.00 6.79 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 S 8.09 4.09 0.00 3.94 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 20 L 8.10 4.08 0.00 2.00 1.79 1.01 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 21 V 8.13 3.72 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 1.09 0.00 0.00 1.05 0.00 0.00 22 N 7.98 4.30 0.00 2.81 2.96 0.00 0.00 6.88 6.38 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 23 L 8.03 3.98 0.00 1.83 1.89 0.87 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 24 Y 8.50 3.82 0.00 3.52 3.34 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 25 L 8.23 3.81 0.00 1.75 1.50 0.81 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.00 3.91 0.00 2.19 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 27 A 7.89 3.78 1.20 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 0.00 0.00 28 S 8.52 4.22 0.00 4.25 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 29 Y 8.13 4.41 0.00 3.25 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 30 T 8.26 3.80 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 0.70 0.00 0.00 31 Y 7.59 4.12 0.00 3.04 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 32 L 8.04 4.14 0.00 2.08 1.94 1.23 0.97 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 33 S 7.95 4.15 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 34 L 7.74 3.78 0.00 1.37 1.05 -0.12 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.63 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 F 8.99 4.28 0.00 3.29 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 37 Y 8.46 4.34 0.00 3.38 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 F 8.54 4.16 0.00 3.21 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 39 D 7.79 4.66 0.00 2.64 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 40 R 7.52 4.16 0.00 1.85 1.96 0.00 3.35 0.00 0.00 3.38 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.87 0.00 41 D 8.75 4.37 0.00 2.78 2.82 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 0.00 0.00 0.00 42 D 7.98 4.58 0.00 2.78 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 V 7.47 3.83 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 0.26 0.00 0.00 0.49 0.00 0.00 44 A 8.08 3.78 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 45 L 8.35 4.76 0.00 2.02 1.63 1.16 0.90 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 46 E 8.42 4.05 0.00 2.02 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 47 G 8.04 3.59 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 0.00 48 V 7.46 3.23 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 0.04 0.00 0.00 0.65 0.00 0.00 49 S 8.28 4.10 0.00 4.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 H 8.50 4.06 0.00 3.22 3.37 0.00 5.65 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 51 F 7.79 3.99 0.00 2.85 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 F 7.72 3.97 0.00 3.09 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 53 R 7.74 3.93 0.00 1.77 1.91 0.00 2.76 0.00 0.00 3.05 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.82 0.00 54 E 7.81 3.93 0.00 1.93 1.78 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 2.16 2.26 0.00 55 L 7.18 3.71 0.00 0.91 0.87 -0.09 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 56 A 8.09 4.20 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.46 4.08 0.00 2.20 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 2.27 2.36 0.00 58 E 7.93 3.92 0.00 2.25 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 2.35 2.45 0.00 59 K 8.41 4.37 0.00 2.05 2.26 0.00 1.89 0.00 0.00 1.90 0.00 0.00 3.09 0.00 0.00 3.41 0.00 0.00 0.00 0.00 2.02 1.85 7.81 60 R 7.74 3.45 0.00 2.13 2.04 0.00 3.11 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.73 0.00 61 E 8.13 3.89 0.00 2.19 1.87 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 2.25 2.49 0.00 62 G 8.17 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 63 Y 8.08 4.29 0.00 3.30 3.39 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 64 E 7.63 4.08 0.00 2.08 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 2.30 2.02 0.00 65 R 8.08 3.99 0.00 2.04 2.32 0.00 2.43 0.00 0.00 2.57 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.64 0.00 66 L 8.17 4.20 0.00 1.99 1.75 0.63 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 67 L 8.33 4.11 0.00 1.84 1.85 1.31 0.61 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 68 K 7.84 3.98 0.00 2.09 1.99 0.00 1.55 0.00 0.00 1.60 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.50 7.81 69 M 8.07 3.86 0.00 1.67 1.45 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.14 0.00 70 Q 8.02 3.86 0.00 2.30 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.57 0.00 0.00 0.00 0.00 0.00 2.35 2.48 0.00 71 N 7.64 4.34 0.00 2.66 2.86 0.00 0.00 7.18 7.54 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 72 Q 7.43 4.08 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 7.00 0.00 0.00 0.00 0.00 0.00 2.36 2.56 0.00 73 R 7.80 3.81 0.00 0.96 0.66 0.00 2.85 0.00 0.00 2.70 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.88 0.00 74 G 7.60 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 G 7.83 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 0.00 0.00 0.00 76 R 8.48 4.53 0.00 1.74 1.76 0.00 3.32 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.66 0.00 77 A 8.48 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.66 4.41 0.00 1.42 1.45 0.85 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 79 F 8.41 4.91 0.00 3.06 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 80 Q 8.33 4.76 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.93 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 81 D 8.42 4.33 0.00 2.65 2.58 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 82 I 7.97 4.09 1.54 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.36 0.68 0.00 0.00 83 K 8.48 4.08 0.00 1.76 1.79 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.44 7.81 84 K 8.51 4.59 0.00 1.94 1.98 0.00 1.60 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.49 7.81 85 P 0.00 4.42 0.00 2.42 2.31 0.00 3.51 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.97 0.00 86 A 8.61 3.76 1.26 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 87 E 7.01 4.35 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 1.47 0.00 88 D 7.96 4.74 0.00 2.46 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 E 7.01 4.01 0.00 1.70 1.50 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 2.11 2.30 0.00 90 W 6.46 4.39 0.00 2.96 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 91 G 8.04 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 92 K 8.77 4.55 0.00 2.05 1.87 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.54 7.81 93 T 8.63 4.31 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 1.22 0.00 0.00 94 P 0.00 4.43 0.00 2.24 2.18 0.00 3.71 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.24 0.00 95 D 8.26 4.48 0.00 3.21 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 96 A 8.42 4.27 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 0.00 0.00 0.00 0.00 0.00 97 M 8.53 4.34 0.00 2.28 2.28 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.69 0.00 98 K 8.10 4.12 0.00 2.06 1.92 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.74 7.81 99 A 8.23 4.06 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 0.00 0.00 100 A 8.03 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 101 M 8.66 4.05 0.00 2.32 2.19 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 2.65 2.67 0.00 102 A 8.00 3.96 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 0.00 103 L 8.04 3.88 0.00 1.65 1.72 0.81 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 104 E 8.39 3.96 0.00 2.26 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 0.00 2.70 2.60 0.00 105 K 8.01 3.58 0.00 1.99 1.90 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.70 7.81 106 K 8.18 3.92 0.00 1.94 1.92 0.00 1.62 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.47 7.81 107 L 7.89 3.97 0.00 1.86 1.63 0.45 -0.22 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 0.00 108 N 8.85 4.30 0.00 2.93 3.03 0.00 0.00 6.78 5.12 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 0.00 109 Q 8.38 3.95 0.00 2.32 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.37 2.60 0.00 110 A 8.03 4.04 1.44 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 0.00 0.00 0.00 111 L 7.90 3.94 0.00 2.01 1.79 1.12 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 112 L 8.16 4.01 0.00 1.85 1.77 0.95 1.08 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 0.00 113 D 8.39 4.39 0.00 2.90 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 0.00 114 L 7.86 4.05 0.00 1.94 1.88 0.94 0.72 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 0.00 115 H 8.53 4.24 0.00 3.28 3.46 0.00 5.64 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 0.00 116 A 8.28 4.04 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 0.00 117 L 8.16 4.04 0.00 1.88 1.85 0.91 0.85 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 0.00 118 G 7.95 3.62 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 0.00 119 S 8.18 4.07 0.00 4.06 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 0.00 120 A 7.58 4.01 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 R 7.96 4.11 0.00 1.81 1.98 0.00 3.45 0.00 0.00 3.21 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.78 0.00 122 T 7.43 3.45 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 1.22 0.00 0.00 123 D 8.36 4.81 0.00 2.66 2.55 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 0.00 124 P 0.00 4.33 0.00 2.34 2.32 0.00 3.79 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 2.11 2.04 0.00 125 H 8.20 4.14 0.00 3.21 3.48 0.00 5.67 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 L 8.13 4.05 0.00 1.89 1.88 1.01 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 127 C 7.84 4.22 0.00 3.22 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 0.00 128 D 8.52 4.35 0.00 2.88 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.59 4.15 0.00 3.11 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 0.00 130 L 8.13 4.37 0.00 2.05 1.82 1.07 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 131 E 8.19 3.99 0.00 2.12 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.65 0.00 132 T 7.83 3.99 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 0.73 0.00 0.00 133 H 7.49 4.29 0.00 2.30 2.63 0.00 5.59 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 F 7.62 4.67 0.00 3.15 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 0.00 135 L 8.49 3.98 0.00 1.68 1.77 0.90 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 136 D 8.04 4.36 0.00 2.72 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 0.00 137 E 8.18 3.96 0.00 2.18 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 2.29 2.33 0.00 138 E 8.24 4.05 0.00 2.27 2.07 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 2.65 2.61 0.00 139 V 7.66 3.62 2.09 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 1.04 0.00 0.00 0.99 0.00 0.00 140 K 8.13 3.96 0.00 2.01 1.83 0.00 1.71 0.00 0.00 1.56 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.61 7.81 141 L 7.97 3.99 0.00 1.91 1.90 0.93 0.99 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 0.00 142 I 8.02 3.77 1.98 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.68 0.94 0.00 0.00 143 K 8.01 3.91 0.00 1.97 2.04 0.00 1.51 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.48 7.81 144 K 8.03 3.85 0.00 2.04 1.94 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.24 1.40 7.81 145 M 8.29 4.19 0.00 2.22 2.30 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 2.80 0.00 146 G 8.44 3.64 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 0.00 0.00 0.00 147 D 7.95 4.37 0.00 2.84 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 H 8.27 4.17 0.00 3.26 3.21 0.00 5.62 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 0.00 149 L 7.99 4.00 0.00 1.74 1.76 0.99 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 150 T 7.80 3.89 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 1.22 0.00 0.00 151 N 8.15 4.37 0.00 2.99 2.83 0.00 0.00 6.98 6.90 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 0.00 152 L 8.37 3.98 0.00 1.74 1.76 0.91 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 153 H 8.37 4.29 0.00 3.17 3.44 0.00 5.76 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 R 7.54 4.07 0.00 1.95 2.14 0.00 3.31 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 155 L 7.51 4.49 0.00 1.77 1.62 0.90 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 156 G 7.47 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