NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.8169 8.3544 109.7205 45.7685 0.0000 172.7358 4 D 4.0231 7.8932 124.8070 51.2442 42.1360 176.0423 5 K 4.1503 8.8704 126.2693 58.6442 33.3091 178.4337 6 K 3.9599 9.4633 121.4369 58.8291 32.1437 178.6676 7 V 3.6356 8.1139 118.2130 66.4093 31.4229 178.0577 8 I 3.9171 7.4167 117.5767 64.2302 36.8392 178.5450 9 Q 3.9894 7.6664 118.5220 58.9648 28.4731 178.1849 10 H 4.1174 8.1664 117.2337 58.9906 28.7348 177.7125 11 L 4.0519 8.5334 120.9629 58.1221 41.4307 179.4606 12 N 4.3618 8.2951 116.0173 55.5424 38.5292 177.4786 13 K 3.9526 7.7561 121.0691 59.1907 32.3280 178.7640 14 I 3.6654 8.1139 120.4981 64.5065 37.1061 177.8713 15 L 4.0085 8.2638 121.4409 58.5133 41.2796 179.3795 16 G 3.6288 8.2409 105.4298 47.6958 0.0000 175.5726 17 N 4.3726 8.0234 118.4320 56.1642 38.4876 177.2607 18 E 3.9563 8.3346 120.0938 59.5610 29.1347 179.4390 19 L 3.9514 7.9144 118.8331 57.7223 41.5163 179.8409 20 I 3.6353 7.3659 118.8560 64.2231 37.1231 177.9278 21 A 3.2312 7.7260 121.5898 55.2662 18.0527 179.3097 22 I 3.5768 7.7883 118.1500 65.0536 37.2361 178.3523 23 N 4.3544 7.8266 116.2141 56.2280 38.2854 177.4249 24 Q 3.8489 8.2805 121.2463 59.5403 29.1935 177.8089 25 Y 4.6661 8.4265 118.0809 61.2923 37.8213 178.6464 26 F 4.0342 8.5126 121.6258 61.1221 39.4838 177.0530 27 L 4.0044 8.2955 120.1220 58.5254 41.8414 178.7194 28 H 3.8744 8.5223 116.5577 58.4317 28.5114 177.8298 29 S 4.2567 8.2105 115.2609 61.6850 62.3627 176.5728 30 R 3.8653 8.0272 120.6664 59.0066 29.6436 179.1964 31 M 3.4319 7.7779 118.9680 57.9586 31.8682 178.4905 32 W 4.5794 7.9215 119.3902 60.1249 29.2391 178.4120 33 N 4.3764 8.3657 116.3177 56.3514 37.7877 176.9615 34 D 4.3603 7.7458 118.3632 56.9944 41.3434 177.8091 35 W 4.8505 7.8149 117.8065 57.6164 29.4422 177.2534 36 G 4.0935 8.2625 107.4465 45.3926 0.0000 173.8859 37 L 4.9465 8.2411 121.8181 53.4455 40.5558 177.3338 38 K 4.0752 8.5103 121.2703 58.6710 32.4531 179.0483 39 R 3.9185 7.8554 119.2539 59.1533 29.9802 178.5533 40 L 3.8085 7.8013 118.4223 57.6389 41.6358 179.1000 41 G 4.1001 8.2705 105.6573 48.3831 0.0000 175.4699 42 A 4.0643 8.5997 124.0892 54.6510 18.2591 179.2449 43 H 4.0953 8.0444 117.1103 59.2164 29.9736 177.0753 44 E 3.9506 8.3635 121.2514 59.3445 29.4569 178.0553 45 Y 3.9810 8.1242 119.5812 61.2242 38.7705 178.0478 46 H 4.1115 7.9428 116.9901 58.5869 28.6892 177.6819 47 E 3.8410 8.3216 120.9458 59.2848 29.2861 179.1788 48 S 4.2747 8.6935 113.3665 61.6267 62.5269 176.2052 49 I 3.6002 7.8466 122.7105 64.5565 36.9600 177.9503 50 D 4.2961 8.2225 119.7664 57.6336 40.5772 179.0107 51 E 4.2821 8.1324 120.1606 59.1973 29.5295 179.1381 52 M 4.0025 8.1074 118.6941 58.4813 31.9648 178.9978 53 K 4.0560 7.9186 118.5506 59.4262 32.1443 179.1650 54 H 4.2588 8.0603 116.1391 58.7055 28.5330 177.1881 55 A 3.9801 8.1463 122.7208 55.5272 18.0686 178.9456 56 D 4.2751 7.9214 115.2141 57.6438 41.3208 178.6347 57 K 3.8880 8.1229 118.6856 59.6096 32.0500 179.3489 58 L 3.9898 8.1256 119.1365 57.8531 41.6525 179.2464 59 I 3.7066 7.9542 120.0370 64.6091 37.2039 178.2068 60 E 3.9597 8.4076 119.1659 59.3992 29.3673 179.2134 61 R 3.9851 7.9863 118.5213 59.6714 30.1236 178.2197 62 I 3.7252 8.1947 119.7735 64.7580 37.1987 178.3182 63 L 3.9935 8.0099 119.3932 57.8538 41.1618 179.5056 64 F 4.3666 7.8932 119.5085 61.0137 39.4603 176.5451 65 L 3.8675 7.7861 115.2847 54.3412 41.4087 176.6457 66 E 3.7467 7.8373 117.5323 57.4761 27.2704 174.5214 67 G 4.0848 7.8804 109.6798 43.8626 0.0000 173.4706 68 L 4.5958 8.0737 119.5422 51.9279 43.2600 174.8363 69 P 4.2899 0.0000 0.0000 62.6694 31.7112 176.1885 70 N 4.6602 9.1353 122.5047 52.4528 38.2200 174.0089 71 L 4.5263 8.2128 123.7739 54.5521 42.4074 177.8517 72 Q 3.9988 8.1348 120.5404 58.7467 29.3276 175.8391 73 D 4.4025 8.3862 120.9560 53.8736 40.4408 175.7431 74 L 4.5382 8.2626 127.0994 52.7153 43.4977 177.1416 75 G 3.7851 8.3352 116.8315 45.0694 0.0000 171.1326 76 K 4.2057 8.3962 121.7853 55.2368 32.4869 177.4265 77 L 4.0763 8.3820 126.9804 54.5528 42.2142 176.9517 78 L 4.3589 8.4817 123.9365 53.4820 41.0593 176.1730 79 I 4.2706 8.0515 125.3998 59.1916 37.5721 176.5393 80 G 3.9411 8.6672 115.0359 45.3178 0.0000 172.0073 81 E 4.7953 9.0759 114.5949 55.2557 30.3683 175.3745 82 N 4.9945 7.7281 116.7806 51.3224 41.6160 174.9157 83 T 4.6082 8.7262 116.6962 66.9996 68.3367 176.6459 84 Q 3.9392 8.1808 120.9082 59.1876 29.3274 177.6915 85 E 3.9701 8.3743 119.4808 59.6659 29.5373 179.0316 86 M 3.8919 8.5602 118.9880 58.6201 32.1720 178.8557 87 L 4.1872 8.0681 118.7104 57.8197 41.7878 179.4314 88 Q 3.9625 8.2993 119.5495 59.5749 29.0734 177.9548 89 C 4.2319 8.6399 118.0428 63.1989 28.1248 176.0725 90 D 4.6663 8.1793 119.9867 57.2313 40.4418 178.5371 91 L 4.0089 7.9697 120.6315 58.0932 42.0946 178.7508 92 N 4.3456 8.7233 116.9686 56.3009 38.5148 177.0375 93 L 4.0197 8.0537 121.6946 58.2592 41.7114 178.7021 94 E 4.2595 8.2624 118.0287 58.4966 29.6520 179.1421 95 L 4.0388 7.9877 119.6010 57.4860 41.8679 178.8826 96 K 3.8203 8.0724 119.4217 59.8841 32.1685 178.6313 97 A 4.0829 8.0193 120.6475 55.2527 18.2461 179.7246 98 T 3.8515 8.1741 114.6083 66.5257 68.5555 176.7156 99 K 3.9088 7.9628 121.1528 59.8308 32.4192 178.7508 100 D 4.4695 8.0377 118.3822 56.8629 40.6306 178.9034 101 L 3.9813 7.7846 119.4807 57.9465 41.6988 179.5453 102 R 3.9581 7.9677 117.9581 59.4599 30.0071 179.0654 103 E 4.0215 8.2616 117.9192 59.0377 29.4160 179.0840 104 A 3.7628 7.8562 120.4567 54.4547 18.6139 179.7549 105 I 3.6212 7.8109 118.5384 64.6437 37.2110 178.5552 106 V 3.5989 7.7563 119.0495 66.4978 31.2156 177.5614 107 H 4.1152 7.8767 116.3910 59.2294 29.6270 177.0056 108 C 4.0675 8.1364 118.6820 62.5632 27.9797 175.6050 109 E 3.8714 8.1685 120.8344 59.3751 29.0683 178.4053 110 Q 3.8957 7.7930 118.0510 59.1436 29.1438 178.2214 111 V 3.8516 7.3045 109.3498 60.7214 31.8204 175.8883 112 H 3.1402 7.3263 114.4872 57.0488 26.8804 176.3539 113 D 4.5336 7.5922 120.4178 52.7398 37.6049 175.5360 114 Y 4.3892 7.1820 122.0114 61.1991 38.5420 178.5978 115 V 3.6500 7.8975 118.3704 66.2661 31.7816 178.1682 116 S 4.2208 8.3802 114.6234 61.3630 62.5900 176.5948 117 R 3.9259 8.0811 121.7304 59.6227 29.8227 178.3521 118 D 4.4207 8.1104 118.6955 56.8999 40.8272 178.4710 119 L 3.9444 7.8915 120.8253 58.2280 42.1490 179.0642 120 L 3.9872 7.8618 118.8585 57.6349 41.5697 179.3902 121 K 3.9253 8.1553 119.5111 59.5654 32.1831 178.3349 122 D 4.3706 8.1184 119.0653 57.6463 40.7226 178.9298 123 I 3.5032 7.7346 120.0081 64.1782 37.0513 178.1077 124 L 3.9073 8.2218 121.4296 58.2806 41.9163 178.3535 125 E 3.9297 8.6418 119.5284 59.5627 29.4211 178.9778 126 S 4.0995 8.0612 112.6443 61.5491 62.5447 175.8657 127 E 4.2789 8.3603 122.8205 59.0336 29.1781 179.3294 128 E 4.0573 8.9559 118.8676 59.4094 29.5113 179.1991 129 E 4.0474 8.5661 118.9677 59.6912 29.5233 178.8602 130 H 4.3895 8.5781 118.3763 59.2163 29.8909 177.4849 131 I 3.7041 7.8167 121.7895 64.2942 36.9790 177.4820 132 D 4.3454 8.0343 118.9631 57.7259 40.9025 177.6787 133 Y 4.1240 8.1450 119.5500 60.8940 38.7875 178.3381 134 L 3.6483 7.9356 119.4153 57.7784 41.7114 179.1125 135 E 3.9050 8.5223 118.8486 60.0096 29.4360 179.8254 136 T 3.8193 7.9178 115.3847 66.5012 68.4925 176.7842 137 Q 3.8351 7.8175 120.0206 58.9540 28.4020 178.8663 138 L 3.8649 7.7156 119.9173 57.6458 41.5660 179.6840 139 G 3.7009 8.2339 105.8780 48.0223 0.0000 175.5764 140 L 3.9899 8.1589 122.0817 57.4560 41.6105 179.6147 141 I 3.5385 7.4462 119.6445 64.3499 36.7142 178.5258 142 Q 3.8807 7.3304 117.3634 59.0921 28.7413 178.6734 143 K 4.1093 8.0933 118.0821 58.6560 32.1494 178.7506 144 V 4.3324 8.0399 109.5122 59.4216 33.9760 176.5274 145 G 4.0364 7.8692 106.1804 45.8132 0.0000 173.7760 146 L 3.9014 8.6587 123.8623 58.4617 41.9039 179.6156 147 E 3.9983 8.1455 116.5753 59.2484 29.5107 178.6687 148 N 4.2935 8.1195 117.0657 56.3945 38.5450 176.3503 149 Y 4.0545 7.7974 119.4114 60.7067 39.1381 178.0398 150 L 4.1144 8.4994 120.0323 57.8722 41.7044 178.9528 151 Q 3.8996 8.3161 120.0226 59.6074 28.7250 178.9104 152 S 4.5034 8.0135 111.8018 59.3794 63.0024 174.1632 153 H 4.7020 8.1578 118.4272 55.6220 30.2334 175.5701 154 M 4.3898 7.9920 121.4028 57.7460 31.8726 176.3158 155 H 5.2389 7.6664 112.8163 54.0220 31.6381 174.3273 156 E 4.2134 8.5618 119.2258 56.7127 29.5015 176.4525 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 G 8.35 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 4 D 7.89 4.02 0.00 2.79 2.51 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 5 K 8.87 4.15 0.00 1.84 1.76 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.46 7.81 6 K 9.46 3.96 0.00 1.73 1.66 0.00 1.69 0.00 0.00 1.54 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.26 1.50 7.81 7 V 8.11 3.64 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 1.09 0.00 0.00 1.00 0.00 0.00 8 I 7.42 3.92 2.01 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 1.52 0.58 0.90 0.00 0.00 9 Q 7.67 3.99 0.00 2.23 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 10 H 8.17 4.12 0.00 3.31 3.33 0.00 5.63 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 11 L 8.53 4.05 0.00 1.65 1.75 0.95 0.75 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 12 N 8.30 4.36 0.00 2.97 2.85 0.00 0.00 6.66 7.77 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 13 K 7.76 3.95 0.00 1.93 1.94 0.00 1.61 0.00 0.00 1.66 0.00 0.00 3.13 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.46 7.81 14 I 8.11 3.67 2.01 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.70 0.92 0.00 0.00 15 L 8.26 4.01 0.00 1.81 1.91 0.92 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.24 3.63 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 0.00 0.00 0.00 17 N 8.02 4.37 0.00 2.93 2.87 0.00 0.00 6.96 7.06 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 18 E 8.33 3.96 0.00 1.97 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 2.48 2.54 0.00 19 L 7.91 3.95 0.00 1.85 1.68 0.90 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.37 3.64 1.93 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 1.42 0.83 0.90 0.00 0.00 21 A 7.73 3.23 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 I 7.79 3.58 1.97 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 1.49 1.02 0.87 0.00 0.00 23 N 7.83 4.35 0.00 2.77 2.83 0.00 0.00 6.78 7.67 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 24 Q 8.28 3.85 0.00 2.07 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.79 0.00 0.00 0.00 0.00 0.00 2.48 2.38 0.00 25 Y 8.43 4.67 0.00 3.07 3.18 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 26 F 8.51 4.03 0.00 3.33 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 27 L 8.30 4.00 0.00 1.83 1.71 0.89 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 28 H 8.52 3.87 0.00 3.42 2.78 0.00 5.69 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.21 4.26 0.00 3.98 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 30 R 8.03 3.87 0.00 1.88 1.90 0.00 3.00 0.00 0.00 2.81 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.69 0.00 31 M 7.78 3.43 0.00 0.75 1.51 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 2.44 2.14 0.00 32 W 7.92 4.58 0.00 3.64 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 33 N 8.37 4.38 0.00 2.86 2.83 0.00 0.00 6.61 7.67 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 34 D 7.75 4.36 0.00 2.61 2.51 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 35 W 7.81 4.85 0.00 3.78 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 36 G 8.26 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 0.00 0.00 0.00 0.00 37 L 8.24 4.95 0.00 2.11 1.64 1.33 1.29 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 38 K 8.51 4.08 0.00 2.03 2.00 0.00 1.67 0.00 0.00 1.60 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.48 7.81 39 R 7.86 3.92 0.00 2.04 1.92 0.00 3.12 0.00 0.00 2.98 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 40 L 7.80 3.81 0.00 1.33 0.27 0.42 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.27 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 42 A 8.60 4.06 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 43 H 8.04 4.10 0.00 3.17 3.18 0.00 5.79 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 44 E 8.36 3.95 0.00 2.59 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 0.00 2.70 2.72 0.00 45 Y 8.12 3.98 0.00 3.00 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 46 H 7.94 4.11 0.00 3.26 3.21 0.00 5.87 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.32 3.84 0.00 2.03 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.14 0.00 48 S 8.69 4.27 0.00 4.12 4.07 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 49 I 7.85 3.60 1.81 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.15 0.83 0.00 0.00 50 D 8.22 4.30 0.00 2.80 2.64 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 51 E 8.13 4.28 0.00 2.18 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 2.72 2.46 0.00 52 M 8.11 4.00 0.00 2.04 2.25 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 2.85 2.56 0.00 53 K 7.92 4.06 0.00 1.88 1.82 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.59 7.81 54 H 8.06 4.26 0.00 3.53 3.32 0.00 5.66 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 55 A 8.15 3.98 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 56 D 7.92 4.28 0.00 2.81 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.12 3.89 0.00 2.01 1.88 0.00 1.74 0.00 0.00 1.66 0.00 0.00 3.12 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.66 1.67 7.81 58 L 8.13 3.99 0.00 1.83 1.72 0.96 1.19 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 59 I 7.95 3.71 2.01 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 1.52 0.76 0.92 0.00 0.00 60 E 8.41 3.96 0.00 2.15 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 2.34 2.58 0.00 61 R 7.99 3.99 0.00 2.06 2.14 0.00 3.38 0.00 0.00 3.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.82 0.00 62 I 8.19 3.73 2.02 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 1.54 0.60 0.94 0.00 0.00 63 L 8.01 3.99 0.00 2.02 1.79 0.98 0.96 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 64 F 7.89 4.37 0.00 3.01 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 65 L 7.79 3.87 0.00 1.82 1.61 0.95 0.70 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 66 E 7.84 3.75 0.00 2.02 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 2.18 2.18 0.00 67 G 7.88 4.08 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 0.00 0.00 0.00 68 L 8.07 4.60 0.00 1.58 1.58 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.29 0.00 2.04 1.99 0.00 3.65 0.00 0.00 3.75 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 70 N 9.14 4.66 0.00 2.63 2.86 0.00 0.00 7.13 7.41 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 71 L 8.21 4.53 0.00 1.63 1.64 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.13 4.00 0.00 1.98 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.65 7.06 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 73 D 8.39 4.40 0.00 2.69 2.61 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 0.00 0.00 0.00 0.00 74 L 8.26 4.54 0.00 1.52 1.53 0.88 1.07 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 75 G 8.34 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 K 8.40 4.21 0.00 1.70 1.74 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.40 1.51 7.81 77 L 8.38 4.08 0.00 1.64 1.56 0.88 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.48 4.36 0.00 1.71 1.69 0.96 0.92 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 79 I 8.05 4.27 1.88 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 1.34 0.80 0.92 0.00 0.00 80 G 8.67 3.94 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 0.00 0.00 0.00 81 E 9.08 4.80 0.00 2.12 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 2.43 2.23 0.00 82 N 7.73 4.99 0.00 2.92 2.84 0.00 0.00 6.18 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 T 8.73 4.61 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 84 Q 8.18 3.94 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.91 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 85 E 8.37 3.97 0.00 2.27 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 2.35 2.52 0.00 86 M 8.56 3.89 0.00 1.40 2.32 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.15 0.00 87 L 8.07 4.19 0.00 2.00 1.75 0.84 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 8.30 3.96 0.00 2.30 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 89 C 8.64 4.23 0.00 3.24 3.18 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 90 D 8.18 4.67 0.00 3.04 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 91 L 7.97 4.01 0.00 1.81 1.89 0.94 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 92 N 8.72 4.35 0.00 2.77 2.88 0.00 0.00 6.64 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 93 L 8.05 4.02 0.00 2.02 1.97 0.93 1.01 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 94 E 8.26 4.26 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 2.67 2.51 0.00 95 L 7.99 4.04 0.00 1.89 1.73 0.94 0.56 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 96 K 8.07 3.82 0.00 1.90 2.02 0.00 1.75 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.54 7.81 97 A 8.02 4.08 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 T 8.17 3.85 4.55 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 1.23 0.00 0.00 99 K 7.96 3.91 0.00 1.88 2.02 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.50 7.81 100 D 8.04 4.47 0.00 2.79 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 0.00 101 L 7.78 3.98 0.00 2.06 1.72 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 102 R 7.97 3.96 0.00 2.05 1.99 0.00 3.14 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 103 E 8.26 4.02 0.00 2.07 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 2.34 2.46 0.00 104 A 7.86 3.76 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 0.00 105 I 7.81 3.62 2.02 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 1.41 1.11 0.93 0.00 0.00 106 V 7.76 3.60 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 0.99 0.00 0.00 1.01 0.00 0.00 107 H 7.88 4.12 0.00 3.31 3.33 0.00 5.84 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 C 8.14 4.07 0.00 3.13 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 0.00 109 E 8.17 3.87 0.00 2.14 2.14 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 2.36 2.42 0.00 110 Q 7.79 3.90 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.73 0.00 0.00 0.00 0.00 0.00 2.28 2.37 0.00 111 V 7.30 3.85 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.91 0.00 0.00 112 H 7.33 3.14 0.00 3.17 3.14 0.00 5.66 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.59 4.53 0.00 2.62 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.18 4.39 0.00 3.10 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 0.00 115 V 7.90 3.65 2.17 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 1.10 0.00 0.00 1.01 0.00 0.00 116 S 8.38 4.22 0.00 4.14 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 0.00 117 R 8.08 3.93 0.00 1.96 2.25 0.00 3.27 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 118 D 8.11 4.42 0.00 3.10 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 0.00 119 L 7.89 3.94 0.00 1.94 1.79 0.95 0.64 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 0.00 120 L 7.86 3.99 0.00 1.92 1.71 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 121 K 8.16 3.93 0.00 1.95 2.04 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 1.36 7.81 122 D 8.12 4.37 0.00 2.92 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 0.00 123 I 7.73 3.50 2.02 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.61 0.81 0.00 0.00 124 L 8.22 3.91 0.00 1.82 1.81 0.94 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 125 E 8.64 3.93 0.00 2.13 1.97 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 2.34 2.36 0.00 126 S 8.06 4.10 0.00 4.04 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 0.00 127 E 8.36 4.28 0.00 2.17 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 0.00 2.61 2.39 0.00 128 E 8.96 4.06 0.00 2.21 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 2.36 2.38 0.00 129 E 8.57 4.05 0.00 2.20 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 2.37 2.62 0.00 130 H 8.58 4.39 0.00 3.27 3.54 0.00 5.61 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 I 7.82 3.70 2.08 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 1.44 0.53 0.93 0.00 0.00 132 D 8.03 4.35 0.00 2.77 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 0.00 133 Y 8.15 4.12 0.00 3.20 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 0.00 134 L 7.94 3.65 0.00 1.90 1.64 1.05 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.52 3.90 0.00 2.02 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 2.31 2.35 0.00 136 T 7.92 3.82 4.31 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 1.18 0.00 0.00 137 Q 7.82 3.84 0.00 1.84 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.78 0.00 0.00 0.00 0.00 0.00 1.33 1.82 0.00 138 L 7.72 3.86 0.00 1.91 1.62 0.81 0.80 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 0.00 139 G 8.23 3.70 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 0.00 0.00 0.00 140 L 8.16 3.99 0.00 1.84 1.92 1.02 0.95 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 0.00 141 I 7.45 3.54 1.78 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 -0.31 0.78 0.00 0.00 142 Q 7.33 3.88 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.98 0.00 0.00 0.00 0.00 0.00 2.53 2.49 0.00 143 K 8.09 4.11 0.00 1.71 1.88 0.00 1.63 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.66 7.81 144 V 8.04 4.33 2.12 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 0.80 0.00 0.00 1.15 0.00 0.00 145 G 7.87 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 L 8.66 3.90 0.00 1.75 1.70 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.15 4.00 0.00 2.21 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 0.00 2.37 2.34 0.00 148 N 8.12 4.29 0.00 3.17 2.94 0.00 0.00 6.79 7.48 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 0.00 149 Y 7.80 4.05 0.00 2.95 3.14 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 0.00 150 L 8.50 4.11 0.00 1.90 1.74 0.96 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 8.32 3.90 0.00 2.18 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.96 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 152 S 8.01 4.50 0.00 3.74 3.68 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 0.00 153 H 8.16 4.70 0.00 3.01 3.03 0.00 5.81 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 M 7.99 4.39 0.00 1.83 1.83 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.45 0.00 155 H 7.67 5.24 0.00 3.08 3.14 0.00 5.70 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 E 8.56 4.21 0.00 1.94 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 2.25 2.29 0.00