NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4906 8.3049 120.3285 55.6078 34.5639 176.7528 2 E 3.8731 8.4170 122.4162 58.7782 30.4878 175.6445 3 P 4.3023 0.0000 0.0000 63.2742 32.8703 177.0751 4 K 4.6567 8.3654 121.8926 55.4581 32.5875 174.4745 5 R 4.6669 7.5659 122.0211 55.1068 33.8340 177.0185 6 I 3.8461 8.3537 120.8727 64.0840 37.4912 177.5048 7 R 4.3289 7.6155 124.8143 54.4296 33.3767 173.3176 8 E 5.1155 8.4821 122.1734 54.8411 32.1992 176.3508 9 G 3.9952 7.9693 108.5963 46.2617 0.0000 172.8801 10 Y 5.3247 8.3973 120.8907 55.4019 39.5774 174.6139 11 L 4.6148 7.5140 125.1057 52.4748 46.2838 175.6232 12 V 4.6625 7.9182 120.4634 60.3642 32.9266 174.9783 13 K 3.9959 8.0048 125.3220 54.0545 34.7664 175.2705 14 K 3.7525 7.5750 129.2681 56.0237 32.1908 175.8615 15 G 4.9266 8.0475 126.2107 45.7076 0.0000 170.8603 16 S 5.9451 7.7022 132.1000 59.3833 62.0146 178.4137 17 V 4.0254 7.0379 116.9557 61.0588 31.3833 178.2575 18 F 4.7810 8.3805 118.0073 58.7569 37.2639 174.7124 19 N 4.2562 8.2978 112.8831 54.3337 35.8487 173.9230 20 T 4.6529 7.7105 110.7283 60.8310 71.1195 174.0954 21 W 4.6105 8.5587 122.8383 56.3560 31.9413 174.3898 22 K 4.7752 8.2458 123.6651 53.5685 36.0643 174.6238 23 P 4.8131 0.0000 0.0000 63.8247 32.3977 174.7939 24 M 4.6741 8.4900 117.0012 54.6959 35.0782 173.1647 25 W 5.4323 8.5614 129.5986 56.6105 32.8620 175.4050 26 V 4.8284 7.3392 124.6086 60.4336 34.6985 173.7330 27 V 4.8573 8.8669 117.7666 59.3295 34.8809 174.7074 28 L 4.4862 8.7737 127.7663 55.3465 41.7616 176.5309 29 L 5.0797 8.4667 124.0234 52.4674 44.5677 177.3400 30 E 4.2113 8.8975 117.3799 57.8593 29.7250 176.9626 31 D 4.8577 9.1526 117.3901 52.2271 40.8961 175.5734 32 G 4.2486 6.7370 114.4874 45.2699 0.0000 171.9212 33 I 4.8352 7.8676 124.5874 59.8146 38.4256 174.2903 34 E 4.4605 8.4998 126.8669 54.2190 31.6268 175.1471 35 F 5.0330 6.8184 118.0223 54.9233 41.0349 173.4411 36 Y 5.0502 9.0476 119.1538 58.2887 41.1614 176.0145 37 K 4.4528 9.2906 121.1162 58.4128 34.6462 176.6196 38 K 5.0376 7.8317 118.2743 53.6060 35.0082 174.6198 39 K 2.0000 7.6467 119.8165 58.9942 32.0669 177.4348 40 S 4.1392 7.0948 112.5711 56.9077 64.8002 174.0794 41 D 4.2846 7.7878 121.7844 55.9091 41.4815 176.7998 42 N 4.5527 8.2603 114.6987 52.8243 37.7693 174.2106 43 S 4.6256 7.5710 111.1439 55.3622 64.7161 171.5382 44 P 4.4843 0.0000 0.0000 62.8039 31.7428 176.5164 45 K 4.2373 8.3260 120.1958 58.2684 33.0671 177.3217 46 G 4.0066 6.6188 102.5057 45.8032 0.0000 172.4452 47 M 4.7695 8.4277 120.6180 52.9911 36.0179 174.9983 48 I 4.7053 8.0512 120.1287 58.6818 40.9263 173.6220 49 P 4.6322 0.0000 0.0000 62.1296 32.3427 175.9048 50 L 4.2782 8.2969 124.9935 54.9529 42.4297 176.3309 51 K 4.2946 7.7861 113.8978 59.6762 33.3657 172.8232 52 G 3.8111 8.2626 114.7957 45.0710 0.0000 171.5132 53 S 5.0730 7.8149 114.3765 57.1432 64.6007 172.5658 54 T 4.7210 8.3953 118.2171 60.0811 70.9137 172.1009 55 L 4.9789 8.2815 124.1763 53.4207 45.5211 175.5210 56 T 4.7214 9.0070 122.5205 61.8592 71.2455 173.4637 57 S 4.7407 8.4992 121.3280 56.1444 65.5898 172.8303 58 P 4.6376 0.0000 0.0000 62.4688 32.5821 175.7031 59 C 4.9295 8.3037 116.1537 58.7866 30.2360 171.0413 60 Q 4.6645 8.4767 120.1458 56.0523 29.3670 176.4864 61 D 4.6923 8.6629 120.7062 54.5369 41.2486 177.9408 62 F 4.3039 7.4718 122.2573 54.8029 37.0169 174.4330 63 G 3.8335 7.6302 120.0299 41.3429 0.0000 171.4979 64 K 3.8376 7.4175 118.8405 56.0961 32.7320 176.0447 65 R 3.9429 7.6900 116.5922 56.9091 29.7769 178.1593 66 M 3.5601 9.4320 124.9242 56.8425 31.4836 178.2610 67 F 4.8633 8.9442 128.3999 55.5744 41.6402 173.1459 68 V 4.7552 8.1060 120.7627 59.5593 33.4592 175.3404 69 F 5.0926 7.7503 120.2275 54.8307 41.4189 174.3456 70 K 4.9780 8.9675 120.0567 54.9489 34.6648 175.1184 71 I 5.2736 8.3791 127.3648 59.5255 40.7708 175.2287 72 T 5.1265 8.1711 119.6047 61.5185 70.9560 173.4971 73 T 4.2472 8.5271 116.8659 61.6240 69.4991 175.4085 74 T 3.8528 8.3275 118.2958 65.0907 67.3790 174.1286 75 K 4.3726 7.7278 119.5098 56.7143 32.1021 176.1505 76 Q 3.2890 7.9060 117.0690 57.0599 28.0838 173.5692 77 Q 4.4095 7.7629 118.0608 53.9498 29.3233 174.2257 78 D 4.6709 8.4465 125.6165 54.9837 42.2577 176.7138 79 H 4.1808 8.3385 117.7870 54.3002 31.5007 171.2590 80 F 5.2414 7.6758 120.8910 55.3671 39.7356 174.2819 81 F 4.9551 7.4909 118.2689 53.5449 41.3277 173.5417 82 Q 5.2691 9.2185 120.7138 53.6748 31.7673 174.4108 83 A 4.8268 8.4273 130.5839 52.3304 20.4808 177.5003 84 A 4.5229 7.4440 115.6274 53.2358 20.8627 176.7882 85 F 4.6464 6.4910 109.6697 54.6719 41.2904 174.4224 86 L 2.6681 6.5202 119.5233 58.0167 41.4992 178.1682 87 E 3.9513 8.3228 118.4788 59.4291 29.6523 177.8837 88 E 4.0779 7.6215 117.4914 57.6738 29.7995 178.2660 89 R 3.9234 7.5513 119.1779 59.7336 30.2748 177.6568 90 D 4.3941 8.1852 117.3174 56.7340 41.0884 178.0404 91 A 4.0270 7.8261 121.7166 54.4818 18.3729 179.6925 92 W 3.9075 8.2049 117.3717 59.8525 29.4399 179.4089 93 V 3.5455 8.0270 119.0928 64.3520 30.7318 178.4152 94 R 3.9614 8.0283 117.0005 58.7865 29.5261 178.2839 95 D 4.2375 7.8426 118.9480 57.0637 41.2193 178.3388 96 I 3.7856 7.8708 120.4423 64.3892 37.2308 177.9388 97 N 4.3690 8.1632 117.8060 56.0020 38.6920 177.0715 98 K 3.8927 8.1284 121.2608 59.4069 32.3830 178.7214 99 A 4.0021 7.9953 121.0800 55.2432 18.0000 179.7217 100 I 4.4102 7.6929 119.6720 63.6417 36.9855 178.0556 101 K 4.2615 7.8775 116.9663 57.6154 32.4841 177.7057 102 C 4.3545 7.8569 119.2991 61.3286 31.9222 175.3873 103 I 3.8261 7.8474 121.4781 63.9641 36.4546 177.7076 104 E 4.3610 7.6718 118.2698 57.8928 29.2429 177.5915 105 G 4.1270 7.7322 105.6987 44.8525 0.0000 173.3893 106 L 4.6430 7.7180 118.5000 53.2016 41.2477 174.8990 107 E 4.6210 7.6153 118.7683 55.2482 32.6601 175.1757 108 H 4.9911 8.1684 116.5648 55.9757 30.9983 172.8882 109 H 4.0048 8.7898 118.0541 58.0520 27.1390 173.8456 110 H 4.7198 8.4034 120.0648 54.5288 30.4648 175.4613 111 H 5.0731 8.1883 117.3154 55.1533 28.4621 174.0229 112 H 4.1379 8.2001 119.9131 59.8875 30.6060 174.0388 113 H 4.5977 8.1801 122.4669 56.2971 29.7375 174.4162 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 4.49 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.57 0.00 2 E 8.42 3.87 0.00 2.03 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 2.31 2.39 0.00 3 P 0.00 4.30 0.00 2.09 2.11 0.00 3.65 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 4 K 8.37 4.66 0.00 1.82 1.78 0.00 1.53 0.00 0.00 1.89 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.48 7.81 5 R 7.57 4.67 0.00 2.00 1.89 0.00 3.62 0.00 0.00 3.45 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 6 I 8.35 3.85 2.04 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 1.19 0.47 0.83 0.00 0.00 7 R 7.62 4.33 0.00 1.36 0.69 0.00 2.79 0.00 0.00 2.50 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.41 0.00 8 E 8.48 5.12 0.00 2.04 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 2.26 2.64 0.00 9 G 7.97 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.40 5.32 0.00 3.24 3.51 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 11 L 7.51 4.61 0.00 0.27 1.75 0.39 -1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 12 V 7.92 4.66 2.18 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 0.94 0.00 0.00 0.96 0.00 0.00 13 K 8.00 4.00 0.00 1.01 1.03 0.00 0.78 0.00 0.00 0.61 0.00 0.00 2.59 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.70 0.91 7.81 14 K 7.58 3.75 0.00 0.79 0.93 0.00 1.82 0.00 0.00 1.91 0.00 0.00 3.19 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.22 1.54 7.81 15 G 8.05 4.93 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 16 S 7.70 5.95 0.00 4.05 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 17 V 7.04 4.03 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 0.75 0.00 0.00 0.92 0.00 0.00 18 F 8.38 4.78 0.00 3.14 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 19 N 8.30 4.26 0.00 2.93 2.97 0.00 0.00 7.06 7.62 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 20 T 7.71 4.65 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 1.38 0.00 0.00 21 W 8.56 4.61 0.00 3.15 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 22 K 8.25 4.78 0.00 1.59 1.65 0.00 1.75 0.00 0.00 1.88 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.42 7.81 23 P 0.00 4.81 0.00 2.04 2.13 0.00 3.77 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 24 M 8.49 4.67 0.00 1.95 2.25 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 2.24 2.02 0.00 25 W 8.56 5.43 0.00 3.63 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 26 V 7.34 4.83 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 -0.60 0.00 0.00 0.68 0.00 0.00 27 V 8.87 4.86 2.23 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 1.38 0.00 0.00 1.27 0.00 0.00 28 L 8.77 4.49 0.00 1.78 1.98 0.74 -0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 29 L 8.47 5.08 0.00 1.92 1.67 1.06 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.90 4.21 0.00 2.07 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 0.00 2.28 2.30 0.00 31 D 9.15 4.86 0.00 2.76 2.77 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 32 G 6.74 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 0.00 0.00 0.00 0.00 33 I 7.87 4.84 1.93 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 1.40 0.67 1.19 0.00 0.00 34 E 8.50 4.46 0.00 1.56 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 2.19 2.23 0.00 35 F 6.82 5.03 0.00 3.11 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 36 Y 9.05 5.05 0.00 2.95 3.08 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 0.00 0.00 0.00 0.00 37 K 9.29 4.45 0.00 1.92 1.84 0.00 1.70 0.00 0.00 1.79 0.00 0.00 2.84 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.46 7.81 38 K 7.83 5.04 0.00 1.67 1.51 0.00 1.81 0.00 0.00 1.53 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.12 1.32 7.81 39 K 7.65 2.00 0.00 0.79 1.26 0.00 1.77 0.00 0.00 1.60 0.00 0.00 2.13 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.12 1.22 7.81 40 S 7.09 4.14 0.00 3.66 3.42 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 41 D 7.79 4.28 0.00 2.76 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 42 N 8.26 4.55 0.00 2.83 3.16 0.00 0.00 6.46 8.48 0.00 0.00 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 S 7.57 4.63 0.00 3.80 3.76 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 44 P 0.00 4.48 0.00 1.92 1.67 0.00 3.90 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.02 0.00 45 K 8.33 4.24 0.00 2.02 1.98 0.00 1.81 0.00 0.00 1.79 0.00 0.00 3.07 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.57 1.64 7.81 46 G 6.62 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 0.00 0.00 0.00 47 M 8.43 4.77 0.00 1.66 1.78 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.19 0.00 48 I 8.05 4.71 1.88 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 1.27 1.26 0.90 0.00 0.00 49 P 0.00 4.63 0.00 2.07 2.04 0.00 3.75 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 50 L 8.30 4.28 0.00 1.70 1.65 0.98 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 51 K 7.79 4.29 0.00 1.68 1.66 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.22 1.32 7.81 52 G 8.26 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 S 7.81 5.07 0.00 3.90 3.76 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 54 T 8.40 4.72 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 1.25 0.00 0.00 55 L 8.28 4.98 0.00 1.54 1.39 0.78 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 56 T 9.01 4.72 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 57 S 8.50 4.74 0.00 3.84 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 58 P 0.00 4.64 0.00 2.09 2.11 0.00 3.69 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 59 C 8.30 4.93 0.00 3.27 3.15 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 60 Q 8.48 4.66 0.00 2.30 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.78 7.18 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 61 D 8.66 4.69 0.00 2.63 2.53 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 62 F 7.47 4.30 0.00 2.75 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 63 G 7.63 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 K 7.42 3.84 0.00 1.86 1.73 0.00 1.88 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.30 1.41 7.81 65 R 7.69 3.94 0.00 1.55 1.49 0.00 3.05 0.00 0.00 3.11 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.61 0.00 66 M 9.43 3.56 0.00 1.83 1.71 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.34 0.00 67 F 8.94 4.86 0.00 2.92 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 V 8.11 4.76 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 0.55 0.00 0.00 0.99 0.00 0.00 69 F 7.75 5.09 0.00 3.23 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 70 K 8.97 4.98 0.00 2.29 1.89 0.00 2.04 0.00 0.00 2.04 0.00 0.00 2.99 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.38 1.21 7.81 71 I 8.38 5.27 2.11 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.95 1.06 0.00 0.00 72 T 8.17 5.13 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 1.27 0.00 0.00 73 T 8.53 4.25 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 1.34 0.00 0.00 74 T 8.33 3.85 4.30 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 1.23 0.00 0.00 75 K 7.73 4.37 0.00 1.76 1.82 0.00 1.91 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.37 7.81 76 Q 7.91 3.29 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.97 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 77 Q 7.76 4.41 0.00 2.17 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.59 6.66 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 78 D 8.45 4.67 0.00 2.54 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 H 8.34 4.18 0.00 2.98 3.08 0.00 5.60 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 F 7.68 5.24 0.00 2.86 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 81 F 7.49 4.96 0.00 2.49 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 82 Q 9.22 5.27 0.00 2.27 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.72 0.00 0.00 0.00 0.00 0.00 2.45 2.21 0.00 83 A 8.43 4.83 1.10 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 84 A 7.44 4.52 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 85 F 6.49 4.65 0.00 3.07 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 L 6.52 2.67 0.00 1.46 1.48 0.99 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 87 E 8.32 3.95 0.00 2.21 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 2.44 2.40 0.00 88 E 7.62 4.08 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 2.40 2.43 0.00 89 R 7.55 3.92 0.00 1.93 1.91 0.00 3.38 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.93 0.00 90 D 8.19 4.39 0.00 2.76 2.63 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 0.00 0.00 0.00 0.00 91 A 7.83 4.03 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 W 8.20 3.91 0.00 3.95 3.72 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 93 V 8.03 3.55 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 0.83 0.00 0.00 -0.49 0.00 0.00 94 R 8.03 3.96 0.00 2.03 2.49 0.00 2.73 0.00 0.00 3.19 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.57 0.00 95 D 7.84 4.24 0.00 2.71 2.40 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 96 I 7.87 3.79 2.00 0.00 0.00 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 1.65 1.15 1.00 0.00 0.00 97 N 8.16 4.37 0.00 2.82 2.74 0.00 0.00 6.83 6.56 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 98 K 8.13 3.89 0.00 2.02 1.84 0.00 1.55 0.00 0.00 1.62 0.00 0.00 3.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.46 7.81 99 A 8.00 4.00 1.37 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 0.00 0.00 0.00 100 I 7.69 4.41 2.05 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.69 0.92 0.00 0.00 101 K 7.88 4.26 0.00 1.87 1.83 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.51 7.81 102 C 7.86 4.35 0.00 2.98 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 0.00 103 I 7.85 3.83 2.14 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.65 0.92 0.00 0.00 104 E 7.67 4.36 0.00 1.89 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 2.31 2.49 0.00 105 G 7.73 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 0.00 0.00 0.00 0.00 106 L 7.72 4.64 0.00 1.77 1.58 0.89 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 107 E 7.62 4.62 0.00 1.91 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 2.23 2.29 0.00 108 H 8.17 4.99 0.00 3.11 3.23 0.00 5.85 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 H 8.79 4.00 0.00 3.26 3.29 0.00 5.74 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 H 8.40 4.72 0.00 3.24 3.21 0.00 5.69 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 H 8.19 5.07 0.00 3.23 3.27 0.00 5.53 0.00 0.00 0.00 0.00 8.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 H 8.20 4.14 0.00 3.12 3.36 0.00 5.72 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 H 8.18 4.60 0.00 3.16 3.18 0.00 5.83 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00