NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.2783 8.3444 121.7092 55.7549 31.1395 175.5583 4 D 4.6498 7.4261 118.3238 49.9213 40.8164 172.9070 5 P 4.2835 0.0000 0.0000 65.3160 32.4186 177.3215 6 I 3.7328 7.8380 118.1657 64.0768 36.9266 177.9911 7 A 3.9208 7.9799 121.2789 55.0846 18.0780 179.1610 8 D 4.4081 8.0297 115.8983 57.8379 41.3913 177.7843 9 M 3.9385 7.5890 118.8734 58.9979 31.9659 179.0483 10 L 3.9920 8.1154 118.6890 57.9810 41.6906 179.7832 11 T 3.8758 8.8055 117.0925 66.6004 68.2662 177.0310 12 R 3.9477 8.5876 120.4405 59.1750 30.0194 179.0056 13 I 3.6676 7.9713 119.6941 64.2881 37.0338 178.0886 14 R 3.8585 8.2424 119.7627 59.9580 29.9039 178.2045 15 N 4.4680 8.6236 116.3128 56.1471 38.6299 177.4953 16 G 3.8206 8.4070 107.5701 48.3093 0.0000 175.6310 17 Q 4.2825 8.2149 118.8019 58.0969 28.8385 178.0527 18 A 4.2725 7.7567 121.0206 53.6506 18.4820 177.8901 19 A 4.5591 7.5725 117.8934 51.2678 19.2975 175.8462 20 N 4.7135 8.4121 111.6890 53.6612 36.4057 174.6405 21 K 4.1056 7.9914 116.6458 56.5582 32.8673 177.3975 22 A 4.4980 8.7509 124.6321 54.5233 19.4837 176.9805 23 A 5.2240 7.9114 114.1204 50.5478 22.8604 176.0682 24 V 4.5882 8.8100 111.7782 59.8508 35.8241 174.9130 25 T 5.7306 8.4826 117.2693 59.8814 70.6660 172.2914 26 M 4.6286 8.1705 120.9992 53.6656 34.2878 171.9668 27 P 4.6258 0.0000 0.0000 63.1055 32.0577 176.3426 28 S 4.7464 8.6473 118.7563 57.7449 64.1376 172.6973 29 S 4.7211 8.1198 116.3517 55.6315 66.2192 175.1583 30 K 4.0100 8.5718 119.3579 59.2534 31.5525 179.4292 31 L 3.9007 7.8149 120.2450 58.1093 42.1564 178.8870 32 K 3.8526 8.0603 118.4223 59.6261 31.9563 179.5124 33 V 3.4811 7.7514 118.0345 65.5698 31.2439 178.0012 34 A 3.8978 8.0063 120.7929 55.1245 18.1669 179.6426 35 I 3.5803 7.9913 118.4526 64.4953 37.1782 178.4550 36 A 3.7723 8.2052 121.8718 55.0506 18.0527 179.0899 37 N 4.1869 7.6746 115.4888 56.7709 38.9883 177.3652 38 V 4.2027 7.2860 120.8795 65.5934 31.7510 177.9445 39 L 4.1797 8.1402 118.8926 57.6438 41.2275 179.6286 40 K 4.0614 8.0539 119.5935 59.5427 32.4487 178.6655 41 E 4.0556 8.2271 118.8002 58.9227 29.2388 177.5714 42 E 4.8522 8.3590 117.5072 56.6140 31.0428 176.6101 43 G 3.8690 7.3526 104.3220 46.4201 0.0000 175.1317 44 F 4.6993 8.0828 118.5622 58.0778 39.6591 175.8334 45 I 4.7172 7.3784 111.9616 59.0945 40.3151 175.4540 46 E 4.1460 9.3587 125.3307 59.1144 29.7608 176.0507 47 D 4.9474 7.8800 116.9511 52.9868 45.1921 172.9545 48 F 5.6901 8.0297 115.8208 55.1631 41.2607 173.8125 49 K 4.6631 9.1506 118.4522 55.7610 36.4713 174.5745 50 V 4.9456 8.3609 120.5895 61.1826 33.7214 174.2704 51 E 4.6048 8.7468 128.0089 55.2986 32.8767 175.8815 52 G 4.2336 8.9308 113.9240 45.4799 0.0000 172.3755 53 D 4.7033 8.4878 116.8839 55.9777 42.6317 177.7350 54 T 3.8699 8.0255 107.5839 63.9012 68.8820 174.7675 55 K 4.3094 7.6034 128.6106 53.2746 32.6932 173.5322 56 P 4.5612 0.0000 0.0000 62.9433 32.3826 175.4951 57 E 4.8487 8.9902 125.1092 55.2132 31.7445 175.0313 58 L 5.1085 9.4925 126.6527 53.3695 44.6093 174.3883 59 E 5.0789 9.5213 127.9062 54.5261 31.9095 174.1859 60 L 5.2088 9.2883 127.3268 53.3784 44.7441 175.6740 61 T 4.8332 8.9857 121.4402 62.0336 69.4786 174.7451 62 L 4.4753 8.4775 126.9556 54.5561 42.7529 176.6293 63 K 4.6771 8.1444 120.7042 54.9237 35.8120 174.4981 64 Y 5.5118 8.3246 121.9474 55.5535 41.6839 175.0193 65 F 4.6597 8.8634 127.6580 57.5664 38.2782 174.9464 66 Q 3.4038 9.1262 125.4120 57.0461 26.1181 174.5818 67 G 4.1039 8.5914 103.1378 45.2708 0.0000 173.2718 68 K 4.6815 8.2047 118.2038 54.3182 35.2763 174.3762 69 A 4.8871 8.2940 122.6267 50.9349 20.2000 177.8539 70 V 3.6783 7.8617 122.6581 65.3371 31.8469 176.4948 71 V 4.0284 7.6302 119.6541 62.1387 30.9141 175.0723 72 E 4.2657 8.7277 128.4343 58.9121 30.0690 177.5262 73 S 4.6831 7.4581 111.1579 57.0806 66.4110 173.6392 74 I 4.8643 8.2706 122.1504 59.5880 40.5405 174.0109 75 Q 4.7221 9.0101 128.7056 53.7525 32.0497 175.6299 76 R 3.7894 8.5720 121.9602 57.0615 30.4585 174.5577 77 V 3.9484 7.9759 118.6047 63.8431 33.3985 175.5567 78 S 4.3429 7.6314 117.2523 58.7359 63.6649 174.0166 79 R 4.6170 8.4512 123.3790 53.7549 34.2829 172.9144 80 P 4.4446 0.0000 0.0000 63.8292 31.7508 175.1068 81 G 4.1092 9.1854 113.4126 46.1686 0.0000 173.8214 82 L 4.2735 8.1752 123.8098 53.8008 43.0586 173.7047 83 R 4.0709 8.1906 124.1154 55.5403 31.0478 176.2829 84 I 4.3314 7.9451 122.8314 59.6793 39.7763 174.2201 85 Y 5.4393 8.5387 123.9012 56.1067 41.6125 175.2910 86 K 4.9444 9.0746 120.8520 54.6323 36.4450 176.8118 87 R 4.4018 9.2622 123.4964 55.4344 31.0370 177.5559 88 K 3.9446 8.8866 120.5509 60.1186 31.9214 178.3918 89 D 4.4712 8.0045 115.4653 56.2633 41.0065 176.8363 90 E 4.3400 8.0605 117.3710 56.6518 30.0356 176.6250 91 L 4.2689 7.3945 119.0558 53.3564 42.3208 174.7970 92 P 4.0672 0.0000 0.0000 63.3570 31.4840 176.3553 93 K 4.4098 8.6484 123.2634 56.2836 32.3927 176.0533 94 V 3.5276 8.1440 113.8819 63.1230 29.4892 171.6780 95 M 4.1725 8.0000 115.9590 56.3293 32.1736 176.5761 96 A 4.0359 7.8931 122.5705 51.9037 18.8879 177.5987 97 G 4.1173 8.3937 114.3635 44.4228 0.0000 173.9321 98 L 5.3223 7.5514 131.1065 54.8758 43.5782 173.6540 99 G 3.9668 8.0087 105.6955 46.9299 0.0000 173.0516 100 I 4.9549 8.5383 115.5471 58.7605 41.1250 174.0785 101 A 5.2574 10.1211 127.5010 50.7152 21.4949 175.9387 102 V 4.4813 8.7419 122.0407 61.4753 33.3932 174.8027 103 V 4.7927 9.0877 128.2092 61.1275 34.7093 173.9989 104 S 5.0770 9.1361 123.2368 57.1803 63.7445 172.9264 105 T 5.1008 8.6153 117.2430 59.3579 72.0684 175.0907 106 S 4.2959 8.8667 114.9817 59.8401 62.9675 174.7477 107 K 4.3282 8.5876 119.7957 55.8014 32.6558 174.9385 108 G 3.9307 7.5709 106.2852 43.0737 0.0000 172.7356 109 V 4.5286 8.0313 120.5303 62.5260 32.2569 175.0262 110 M 4.9925 9.2002 124.9770 54.0688 35.4705 174.0815 111 T 4.7218 8.4294 109.2029 61.0209 70.5277 175.5007 112 D 4.3698 8.8718 122.5998 56.8658 39.0257 179.0950 113 R 3.9327 8.0135 118.6803 58.9643 30.0950 178.7085 114 A 4.0212 7.9140 119.9681 54.9203 18.4614 179.4835 115 A 3.9884 8.2724 119.5192 55.4435 18.2913 180.1076 116 R 3.9075 7.9514 116.2919 59.4141 29.9052 179.0226 117 Q 4.0062 7.8286 118.3067 58.2429 29.1662 176.9685 118 A 4.4417 7.6736 119.4036 51.3137 19.4427 176.9527 119 G 3.7990 7.7951 105.1461 46.6778 0.0000 173.7267 120 L 4.8489 8.0079 117.7030 52.5002 45.4638 177.4894 121 G 4.2586 8.9496 110.7459 46.3630 0.0000 171.9361 122 G 3.9153 7.6155 106.8748 45.7083 0.0000 170.3227 123 E 4.6567 7.9700 120.6961 55.8191 31.2699 176.6719 124 I 4.4084 8.3022 128.0602 60.5978 37.8255 176.7020 125 I 3.8028 8.8309 129.9827 64.0634 38.1034 175.9299 126 C 4.8231 7.5278 113.9806 57.8562 32.8630 171.7459 127 Y 5.4592 8.3182 116.4966 56.2818 40.5676 175.4596 128 V 4.7555 8.5354 122.2784 61.1051 35.2412 175.2202 129 A 4.3215 8.5023 127.3940 52.4252 18.8965 175.9767 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 3 Q 8.34 4.28 0.00 2.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.19 0.00 0.00 0.00 0.00 0.00 2.23 2.40 0.00 4 D 7.43 4.65 0.00 2.71 2.45 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 5 P 0.00 4.28 0.00 2.17 2.10 0.00 3.63 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 2.19 0.00 6 I 7.84 3.73 1.91 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 1.42 0.87 0.85 0.00 0.00 7 A 7.98 3.92 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 8 D 8.03 4.41 0.00 2.71 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 9 M 7.59 3.94 0.00 2.05 2.19 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 2.61 2.60 0.00 10 L 8.12 3.99 0.00 1.73 1.66 0.84 0.94 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 11 T 8.81 3.88 4.38 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 1.20 0.00 0.00 12 R 8.59 3.95 0.00 2.05 1.98 0.00 3.21 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 13 I 7.97 3.67 1.99 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 1.41 0.65 0.89 0.00 0.00 14 R 8.24 3.86 0.00 2.03 2.12 0.00 3.08 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 15 N 8.62 4.47 0.00 2.96 2.86 0.00 0.00 6.94 7.51 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 16 G 8.41 3.82 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 0.00 0.00 0.00 17 Q 8.21 4.28 0.00 2.06 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.97 0.00 0.00 0.00 0.00 0.00 2.37 2.55 0.00 18 A 7.76 4.27 1.35 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 0.00 0.00 19 A 7.57 4.56 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 20 N 8.41 4.71 0.00 2.76 2.59 0.00 0.00 7.31 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 7.99 4.11 0.00 1.84 1.95 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.57 7.81 22 A 8.75 4.50 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 23 A 7.91 5.22 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 24 V 8.81 4.59 2.10 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 0.82 0.00 0.00 0.96 0.00 0.00 25 T 8.48 5.73 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 1.23 0.00 0.00 26 M 8.17 4.63 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.71 0.00 27 P 0.00 4.63 0.00 1.96 2.03 0.00 3.67 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 28 S 8.65 4.75 0.00 3.91 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 29 S 8.12 4.72 0.00 3.97 3.90 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 30 K 8.57 4.01 0.00 1.78 1.89 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.53 1.44 7.81 31 L 7.81 3.90 0.00 1.73 1.63 0.90 0.67 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 32 K 8.06 3.85 0.00 2.05 1.80 0.00 1.74 0.00 0.00 1.56 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.43 7.81 33 V 7.75 3.48 2.19 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 1.02 0.00 0.00 1.01 0.00 0.00 34 A 8.01 3.90 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 35 I 7.99 3.58 1.93 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.66 0.84 0.00 0.00 36 A 8.21 3.77 0.71 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 0.00 0.00 37 N 7.67 4.19 0.00 2.77 2.95 0.00 0.00 6.84 7.26 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 38 V 7.29 4.20 2.20 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 1.40 0.00 0.00 0.94 0.00 0.00 39 L 8.14 4.18 0.00 2.04 1.80 0.88 0.89 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 40 K 8.05 4.06 0.00 2.27 2.09 0.00 1.76 0.00 0.00 1.90 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.70 7.81 41 E 8.23 4.06 0.00 2.27 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 0.00 2.37 2.51 0.00 42 E 8.36 4.85 0.00 2.17 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 2.59 2.59 0.00 43 G 7.35 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 F 8.08 4.70 0.00 3.28 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 45 I 7.38 4.72 2.08 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.78 0.97 0.00 0.00 46 E 9.36 4.15 0.00 2.07 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 2.33 2.27 0.00 47 D 7.88 4.95 0.00 2.77 2.41 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.03 5.69 0.00 3.05 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 49 K 9.15 4.66 0.00 1.76 1.78 0.00 1.21 0.00 0.00 1.54 0.00 0.00 2.79 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.38 7.81 50 V 8.36 4.95 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 0.90 0.00 0.00 1.04 0.00 0.00 51 E 8.75 4.60 0.00 2.07 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 2.19 2.23 0.00 52 G 8.93 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 0.00 0.00 0.00 53 D 8.49 4.70 0.00 2.63 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 T 8.03 3.87 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 1.21 0.00 0.00 55 K 7.60 4.31 0.00 1.87 1.89 0.00 1.59 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.32 1.43 7.81 56 P 0.00 4.56 0.00 2.11 2.06 0.00 3.59 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.26 0.00 57 E 8.99 4.85 0.00 1.96 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 2.29 2.26 0.00 58 L 9.49 5.11 0.00 1.66 1.63 1.06 0.73 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 59 E 9.52 5.08 0.00 2.05 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 2.24 2.28 0.00 60 L 9.29 5.21 0.00 1.62 1.60 0.93 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 61 T 8.99 4.83 4.28 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 1.26 0.00 0.00 62 L 8.48 4.48 0.00 1.61 1.42 1.08 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 63 K 8.14 4.68 0.00 1.74 1.53 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.42 7.81 64 Y 8.32 5.51 0.00 3.12 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 65 F 8.86 4.66 0.00 3.01 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 Q 9.13 3.40 0.00 2.42 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.67 0.00 0.00 0.00 0.00 0.00 2.19 2.12 0.00 67 G 8.59 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 68 K 8.20 4.68 0.00 1.96 1.82 0.00 1.66 0.00 0.00 1.85 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.47 7.81 69 A 8.29 4.89 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 70 V 7.86 3.68 2.10 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 0.83 0.00 0.00 0.98 0.00 0.00 71 V 7.63 4.03 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 0.76 0.00 0.00 1.01 0.00 0.00 72 E 8.73 4.27 0.00 2.19 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 2.32 2.32 0.00 73 S 7.46 4.68 0.00 3.84 3.90 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 74 I 8.27 4.86 1.75 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.84 0.86 0.00 0.00 75 Q 9.01 4.72 0.00 1.94 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.75 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 76 R 8.57 3.79 0.00 1.61 1.76 0.00 3.14 0.00 0.00 3.14 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 77 V 7.98 3.95 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 0.48 0.00 0.00 -0.39 0.00 0.00 78 S 7.63 4.34 0.00 3.75 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 79 R 8.45 4.62 0.00 1.83 1.68 0.00 3.12 0.00 0.00 3.17 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.66 0.00 80 P 0.00 4.44 0.00 2.15 2.05 0.00 3.88 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 1.96 2.06 0.00 81 G 9.19 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 82 L 8.18 4.27 0.00 1.56 1.45 0.89 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 83 R 8.19 4.07 0.00 1.77 1.42 0.00 3.38 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.48 0.00 84 I 7.95 4.33 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 1.07 1.19 0.84 0.00 0.00 85 Y 8.54 5.44 0.00 2.80 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 86 K 9.07 4.94 0.00 1.66 1.68 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.39 1.58 7.81 87 R 9.26 4.40 0.00 1.88 1.87 0.00 3.17 0.00 0.00 3.10 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 88 K 8.89 3.94 0.00 1.79 1.84 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.53 1.47 7.81 89 D 8.00 4.47 0.00 2.72 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 E 8.06 4.34 0.00 2.24 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 2.32 2.29 0.00 91 L 7.39 4.27 0.00 1.63 1.63 1.08 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 92 P 0.00 4.07 0.00 2.16 1.95 0.00 3.67 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 2.01 2.05 0.00 93 K 8.65 4.41 0.00 1.66 1.74 0.00 1.68 0.00 0.00 1.63 0.00 0.00 3.08 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.44 7.81 94 V 8.14 3.53 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 0.82 0.00 0.00 0.93 0.00 0.00 95 M 8.00 4.17 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.48 0.00 96 A 7.89 4.04 1.17 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 0.00 0.00 97 G 8.39 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 0.00 0.00 0.00 98 L 7.55 5.32 0.00 1.64 1.75 0.91 1.10 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 99 G 8.01 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 0.00 100 I 8.54 4.95 1.95 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.85 1.09 0.00 0.00 101 A 10.12 5.26 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 0.00 102 V 8.74 4.48 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 0.97 0.00 0.00 0.92 0.00 0.00 103 V 9.09 4.79 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 0.97 0.00 0.00 0.97 0.00 0.00 104 S 9.14 5.08 0.00 3.91 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 0.00 105 T 8.62 5.10 4.33 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 1.23 0.00 0.00 106 S 8.87 4.30 0.00 4.00 4.03 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 0.00 107 K 8.59 4.33 0.00 1.77 1.85 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.38 1.50 7.81 108 G 7.57 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 0.00 0.00 0.00 109 V 8.03 4.53 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 0.81 0.00 0.00 0.92 0.00 0.00 110 M 9.20 4.99 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.66 0.00 111 T 8.43 4.72 4.28 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 1.32 0.00 0.00 112 D 8.87 4.37 0.00 2.93 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 0.00 113 R 8.01 3.93 0.00 1.89 2.04 0.00 3.13 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.71 0.00 114 A 7.91 4.02 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 0.00 115 A 8.27 3.99 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 0.00 116 R 7.95 3.91 0.00 2.10 2.00 0.00 3.13 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 117 Q 7.83 4.01 0.00 2.16 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 118 A 7.67 4.44 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 0.00 119 G 7.80 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 0.00 120 L 8.01 4.85 0.00 1.62 1.55 0.93 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 121 G 8.95 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 0.00 122 G 7.62 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 E 7.97 4.66 0.00 2.33 1.88 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 2.17 2.10 0.00 124 I 8.30 4.41 1.78 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 1.27 0.70 0.88 0.00 0.00 125 I 8.83 3.80 1.96 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 1.23 0.89 0.84 0.00 0.00 126 C 7.53 4.82 0.00 2.99 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 0.00 127 Y 8.32 5.46 0.00 3.00 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 0.00 128 V 8.54 4.76 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 -0.01 0.00 0.00 0.72 0.00 0.00 129 A 8.50 4.32 1.17 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 0.00 0.00