NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3750 8.1585 120.3485 55.4556 34.5717 177.3413 2 A 3.8636 7.9975 120.7099 54.7662 18.3093 176.2075 3 E 3.9699 8.9202 118.0180 59.5787 30.0221 178.1994 4 V 3.6706 7.6454 112.1173 64.1509 31.5738 178.4852 5 I 3.6616 7.8585 119.6303 64.4200 36.9907 178.5771 6 K 3.9820 8.1295 119.2123 59.5321 31.6491 179.3883 7 S 4.0993 7.9992 112.3376 61.4073 62.7383 176.0487 8 I 3.8936 7.8041 122.5075 64.7633 36.8796 178.4439 9 M 4.2714 8.4692 119.6524 58.1584 31.7699 178.9098 10 R 4.0135 8.3473 118.5045 58.1714 29.8398 178.0661 11 K 4.2206 7.6624 115.5331 55.7544 32.3782 175.6268 12 F 4.6820 8.0300 122.7850 55.5372 39.3762 173.4212 13 P 4.6466 0.0000 0.0000 62.7685 32.2138 175.8771 14 L 4.7137 8.8518 122.0234 52.7796 45.8877 176.2216 15 G 4.1184 8.9147 110.0668 46.6448 0.0000 172.5412 16 V 4.9057 8.2970 113.6561 59.4222 35.0743 174.5849 17 A 4.8531 8.7806 123.3062 50.7392 23.5354 175.0846 18 I 4.5395 8.1619 119.7042 59.6901 39.5130 175.5685 19 V 4.4726 8.1457 121.6684 60.2818 33.2010 175.6476 20 T 5.3109 9.0454 114.3631 60.6613 72.9239 172.2272 21 T 5.0011 8.8891 115.8384 61.3727 71.8886 172.0565 22 N 4.6612 8.8098 122.6393 51.7105 39.0131 173.8519 23 W 4.8223 8.9545 135.0000 55.7197 29.5824 176.0956 24 K 3.8574 9.7123 127.6683 56.8982 29.2496 176.6707 25 G 3.8766 8.5093 107.6372 45.0410 0.0000 173.8394 26 E 4.1547 7.9843 121.9312 54.8607 30.1153 175.1658 27 L 4.2882 8.1971 126.9705 54.4740 42.1627 176.5353 28 V 4.9154 8.1050 116.3182 60.1169 36.4035 174.5973 29 G 4.7061 8.8997 108.2342 46.8214 0.0000 172.1591 30 M 5.3317 8.6358 116.0643 53.9852 34.6121 174.4928 31 T 4.5759 8.9520 118.6751 64.0659 69.8498 173.8934 32 V 4.5614 8.9259 119.3519 59.2826 35.7310 175.8660 33 N 4.9917 9.0939 119.3274 52.1696 37.6702 174.7578 34 T 4.3488 7.6210 107.3935 61.6715 70.1731 173.6424 35 F 4.7265 8.1608 124.8132 58.8848 40.3470 173.5484 36 N 4.3912 7.7047 122.7592 52.3389 43.1191 172.9211 37 S 4.4986 8.2669 116.6789 58.0947 63.5413 173.2933 38 L 4.5058 8.8089 125.6980 56.3196 43.5460 176.3059 39 S 4.6056 7.6624 111.2613 56.9842 65.9783 174.4459 40 L 4.1446 8.6334 124.1518 56.0059 42.4613 175.8091 41 N 4.9530 7.7050 115.3274 50.3943 40.1466 172.2673 42 P 4.3744 0.0000 0.0000 61.3632 32.4291 174.8488 43 P 4.8125 0.0000 0.0000 61.8507 31.9809 174.8171 44 L 5.1886 8.8947 125.2576 52.8776 45.5249 176.4005 45 V 5.0419 8.8315 115.4591 59.8558 36.0194 174.5042 46 S 5.8122 8.9483 115.2959 57.5414 66.7803 172.7516 47 F 5.4833 8.0150 114.3697 55.5292 41.7077 172.5012 48 F 5.5910 9.0310 118.2533 55.7782 40.8654 175.2137 49 A 4.8705 8.8724 125.6311 49.8693 21.7675 174.8091 50 D 4.1000 8.7068 122.8472 53.9859 41.9193 177.3293 51 R 4.3839 8.7877 128.1393 58.8223 29.8519 178.8949 52 M 4.2036 8.1957 117.7596 57.1135 31.9797 177.6364 53 K 4.5281 7.8759 115.8412 55.0347 33.3853 176.4505 54 G 3.9574 7.8469 107.4828 46.7622 0.0000 175.8329 55 N 4.4898 8.0760 119.0595 55.4970 38.5169 176.6412 56 D 4.5904 8.0528 120.6428 56.1543 39.6910 178.5434 57 I 3.5939 7.4869 121.1356 63.8118 36.8909 176.4630 58 P 2.9700 0.0000 0.0000 65.0789 31.2456 177.9368 59 Y 4.2087 7.2192 114.9138 60.8195 37.8000 177.9376 60 K 4.0774 8.0128 118.4490 58.7496 32.1104 178.1680 61 E 4.6716 7.6896 116.1807 55.1712 30.2824 175.7090 62 S 4.9119 7.4788 114.7347 56.7025 66.7256 175.1227 63 K 4.0882 8.6492 121.8014 58.6312 32.9950 176.0809 64 Y 5.4219 7.9098 115.5852 56.4370 42.3471 174.2106 65 F 5.3859 9.1045 114.7199 55.8644 42.1238 173.1821 66 V 4.8769 9.1190 119.8805 61.2297 34.5045 174.4181 67 V 4.1855 8.7878 127.9788 61.4346 33.0186 173.9690 68 N 4.7843 8.4725 126.7949 51.7647 40.5702 174.1317 69 F 4.7778 8.5462 123.0101 55.9253 40.9068 174.8625 70 T 4.6500 8.2976 117.4744 60.0404 70.6958 172.7540 71 D 5.0727 8.9358 123.9578 53.1096 40.0450 175.7168 72 N 4.7222 7.7494 120.0463 52.2594 38.6896 175.0505 73 E 3.9214 8.7573 126.1060 59.4333 29.4006 178.3509 74 E 3.8642 8.0957 119.7722 59.2319 29.6377 178.9335 75 L 3.9484 7.7582 118.2904 57.7795 41.2408 179.4789 76 F 4.3191 7.4909 118.5123 60.1123 38.7946 177.3376 77 N 4.4629 8.3554 116.1649 56.2047 38.4248 177.3887 78 I 3.5800 7.8950 121.3525 64.3313 37.1549 177.5885 79 F 4.3421 8.2525 115.9420 57.4834 38.5932 176.8298 80 A 4.5324 7.6436 121.9747 52.3250 20.8790 177.7551 81 L 4.5889 8.0408 114.0410 55.3596 43.8152 177.4167 82 K 4.2909 7.4879 116.4029 54.5452 33.1448 175.0556 83 P 4.3056 0.0000 0.0000 62.7400 32.2879 177.4777 84 V 3.5971 8.7526 121.9902 66.3023 31.1298 178.5570 85 K 4.1447 8.0409 115.6465 59.0371 32.7670 177.4618 86 E 4.3020 8.1028 120.0360 57.4827 29.8245 177.8898 87 R 3.4916 7.6231 118.0375 58.8235 29.7926 177.9135 88 F 4.5373 7.8276 113.6526 57.7517 39.3668 176.7213 89 R 4.2052 7.8144 120.0615 58.0917 30.0584 177.0955 90 E 4.5558 7.6357 113.9461 55.8333 30.3782 175.6118 91 I 4.7418 7.2871 111.2284 58.6092 41.0114 174.7261 92 K 4.4816 8.4716 121.3558 56.3997 33.2700 175.5096 93 Y 5.4499 7.9531 121.1995 55.9369 41.2312 173.2764 94 K 4.6746 9.0553 118.5665 55.2349 36.7730 174.5686 95 E 4.8298 8.7999 119.8549 54.9946 30.8528 176.9690 96 G 4.1671 8.7791 113.7686 44.5292 0.0000 172.5724 97 I 3.6351 8.4899 122.5392 62.3990 38.3510 177.2029 98 G 3.9099 9.1387 113.9684 45.9171 0.0000 174.2495 99 G 3.8946 8.2202 106.1851 45.5200 0.0000 173.9388 100 C 4.4125 8.0661 118.7912 58.7932 29.1964 171.4017 101 P 4.8621 0.0000 0.0000 62.9455 31.9626 175.4814 102 I 4.2648 8.9802 125.7593 59.3360 39.1580 174.9935 103 L 4.4751 8.8088 128.3630 54.4577 42.0058 177.9078 104 Y 4.0318 8.8225 125.4191 60.7981 38.8744 176.6686 105 D 4.5213 7.9873 116.3446 54.8066 41.2156 176.4395 106 S 4.1686 7.5326 117.5075 58.5830 63.3620 173.9467 107 Y 4.4899 8.0681 122.7267 58.7184 39.1364 174.7645 108 A 5.2472 7.3492 120.5837 51.5529 22.9493 174.3727 109 Y 5.4388 8.8015 116.2789 56.1130 41.9948 173.6326 110 I 5.0811 8.9332 121.1783 59.7321 40.7166 174.3211 111 E 5.0270 9.3173 125.8297 54.8250 31.5411 174.9400 112 A 5.0833 8.8638 125.9000 49.8582 22.8908 174.4254 113 K 4.5010 8.8138 122.8544 54.5483 34.0015 175.5531 114 L 4.4456 8.3945 130.2735 56.6817 41.8326 175.4776 115 Y 4.5562 9.1638 127.7278 59.2223 40.5332 174.8822 116 D 4.7894 7.8396 115.8475 53.5354 44.8670 174.0841 117 T 5.1780 8.4112 112.0250 60.0030 72.0876 173.4117 118 I 4.4866 8.5267 124.4171 59.4892 40.8134 174.2802 119 D 4.8900 8.7108 127.9804 54.0442 41.6415 176.6116 120 V 4.1448 8.4759 123.0474 61.6842 34.6059 174.4639 121 G 3.7019 8.5327 118.2135 47.0752 0.0000 173.2225 122 D 4.7155 8.5706 124.0910 53.6070 39.8793 175.2639 123 H 5.4391 8.0003 116.4544 54.3371 33.3737 172.0795 124 S 4.9925 8.8995 114.3910 56.5695 65.2963 172.8944 125 I 4.4626 8.7730 128.7099 60.9770 38.2704 174.8654 126 I 4.3789 8.3343 129.6158 59.7961 38.6523 175.0106 127 V 4.9327 8.8078 127.6906 60.9724 34.1052 174.4017 128 G 4.5378 9.4453 115.1470 44.3118 0.0000 171.3736 129 E 4.6522 9.2446 125.9063 55.0510 31.0924 175.6180 130 V 3.8754 8.5166 128.1769 63.5075 31.3411 175.4981 131 I 4.2471 8.6411 129.7281 63.6357 38.2207 176.0249 132 D 4.5245 7.7038 118.6122 53.2128 45.1391 174.9718 133 G 4.3324 7.9991 107.1261 44.7441 0.0000 171.5247 134 Y 4.6510 8.5510 118.6411 55.9687 42.3407 174.1469 135 Q 4.7343 8.7731 125.5175 54.8165 29.5435 174.9419 136 I 4.0984 8.7076 128.4139 63.3526 37.9419 177.0090 137 R 4.6668 7.9233 120.0820 54.5780 32.4183 174.6479 138 D 4.6313 8.9207 124.2962 55.5522 41.5270 175.8944 139 N 4.6866 8.0659 116.3517 51.6294 39.0651 173.6923 140 F 4.8593 7.5796 116.9554 55.8775 40.4631 174.1761 141 T 4.3914 8.3759 111.9575 58.7883 68.7672 172.2253 142 P 4.7226 0.0000 0.0000 62.9764 32.1562 175.8110 143 L 5.2222 8.5325 119.6561 53.3461 44.5501 176.1149 144 V 4.6817 8.8526 114.6146 59.8144 35.8227 173.9152 145 Y 4.9087 9.0822 126.5080 56.6017 40.5003 174.0088 146 M 4.5531 8.6864 125.4561 54.7984 36.4296 173.9614 147 N 4.1557 9.0118 123.9842 54.9185 37.9970 174.7976 148 R 4.2165 7.4008 110.9451 56.2459 28.1165 176.2364 149 K 4.5485 7.2141 117.2676 54.6236 35.9359 174.9619 150 Y 4.9392 8.4417 119.9103 56.9599 39.2382 174.8113 151 Y 4.7143 9.2562 123.0271 56.3898 40.4948 176.0011 152 K 4.7497 8.6466 121.2960 55.7162 33.7264 176.5413 153 L 4.3442 8.3067 121.6671 53.9671 42.5838 177.3151 154 S 4.1299 8.4592 119.0932 59.5641 63.3123 174.6411 155 S 4.1878 8.7290 120.4682 59.0729 62.3735 170.6594 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 8.16 4.37 0.00 2.10 2.12 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 2.55 2.60 0.00 2 A 8.00 3.86 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 3 E 8.92 3.97 0.00 2.07 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 2.41 2.47 0.00 4 V 7.65 3.67 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 1.01 0.00 0.00 5 I 7.86 3.66 2.03 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 1.50 0.83 0.92 0.00 0.00 6 K 8.13 3.98 0.00 1.83 1.89 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.62 7.81 7 S 8.00 4.10 0.00 3.88 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 8 I 7.80 3.89 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 1.51 0.95 0.87 0.00 0.00 9 M 8.47 4.27 0.00 2.10 2.21 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.89 0.00 10 R 8.35 4.01 0.00 2.11 1.99 0.00 3.23 0.00 0.00 3.18 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 11 K 7.66 4.22 0.00 1.79 1.80 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.49 7.81 12 F 8.03 4.68 0.00 2.88 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 13 P 0.00 4.65 0.00 1.92 1.84 0.00 3.17 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.77 0.00 14 L 8.85 4.71 0.00 1.67 1.59 1.13 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 15 G 8.91 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 16 V 8.30 4.91 1.56 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 0.53 0.00 0.00 0.05 0.00 0.00 17 A 8.78 4.85 0.73 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 18 I 8.16 4.54 1.36 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.65 0.04 0.00 0.00 19 V 8.15 4.47 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 -0.02 0.00 0.00 0.06 0.00 0.00 20 T 9.05 5.31 4.42 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 1.14 0.00 0.00 21 T 8.89 5.00 4.50 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 0.00 0.00 0.83 0.00 0.00 22 N 8.81 4.66 0.00 2.78 2.91 0.00 0.00 6.83 7.95 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 23 W 8.95 4.82 0.00 3.21 3.13 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 24 K 9.71 3.86 0.00 1.58 1.72 0.00 1.49 0.00 0.00 1.60 0.00 0.00 3.29 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.36 1.42 7.81 25 G 8.51 3.88 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 0.00 0.00 0.00 26 E 7.98 4.15 0.00 1.85 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 2.32 2.25 0.00 27 L 8.20 4.29 0.00 0.77 0.13 0.25 0.61 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 V 8.11 4.92 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 0.94 0.00 0.00 0.88 0.00 0.00 29 G 8.90 4.71 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 0.00 30 M 8.64 5.33 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.58 0.00 31 T 8.95 4.58 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 1.32 0.00 0.00 32 V 8.93 4.56 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 0.65 0.00 0.00 0.81 0.00 0.00 33 N 9.09 4.99 0.00 2.83 2.76 0.00 0.00 6.28 7.71 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 34 T 7.62 4.35 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 35 F 8.16 4.73 0.00 3.02 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 36 N 7.70 4.39 0.00 2.52 2.36 0.00 0.00 6.79 7.23 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 37 S 8.27 4.50 0.00 3.88 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 38 L 8.81 4.51 0.00 1.58 1.82 0.94 1.04 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 39 S 7.66 4.61 0.00 3.84 3.53 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 40 L 8.63 4.14 0.00 1.72 1.66 0.91 0.57 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 41 N 7.71 4.95 0.00 2.64 2.72 0.00 0.00 6.92 8.02 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 42 P 0.00 4.37 0.00 2.00 2.04 0.00 3.73 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 1.76 1.95 0.00 43 P 0.00 4.81 0.00 2.11 2.23 0.00 3.90 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.81 0.00 44 L 8.89 5.19 0.00 1.44 1.42 0.56 -0.14 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 45 V 8.83 5.04 2.39 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 0.96 0.00 0.00 1.35 0.00 0.00 46 S 8.95 5.81 0.00 3.86 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 47 F 8.02 5.48 0.00 3.01 3.12 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 48 F 9.03 5.59 0.00 2.94 2.83 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 49 A 8.87 4.87 1.25 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 50 D 8.71 4.10 0.00 2.70 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 51 R 8.79 4.38 0.00 2.00 1.94 0.00 3.33 0.00 0.00 3.32 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.41 0.00 52 M 8.20 4.20 0.00 2.01 2.24 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 2.64 2.71 0.00 53 K 7.88 4.53 0.00 1.71 1.84 0.00 1.89 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.37 1.61 7.81 54 G 7.85 3.96 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 0.00 0.00 0.00 55 N 8.08 4.49 0.00 3.00 3.02 0.00 0.00 6.89 8.14 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 56 D 8.05 4.59 0.00 2.86 2.92 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 57 I 7.49 3.59 1.71 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 1.51 0.76 0.97 0.00 0.00 58 P 0.00 2.97 0.00 0.82 0.97 0.00 3.40 0.00 0.00 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.44 0.00 59 Y 7.22 4.21 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 60 K 8.01 4.08 0.00 1.87 1.89 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.58 7.81 61 E 7.69 4.67 0.00 2.22 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 62 S 7.48 4.91 0.00 3.95 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 63 K 8.65 4.09 0.00 1.56 1.38 0.00 1.56 0.00 0.00 1.81 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.57 1.45 7.81 64 Y 7.91 5.42 0.00 2.90 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 65 F 9.10 5.39 0.00 3.49 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 66 V 9.12 4.88 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 0.98 0.00 0.00 1.00 0.00 0.00 67 V 8.79 4.19 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 1.05 0.00 0.00 68 N 8.47 4.78 0.00 2.41 2.37 0.00 0.00 6.47 8.15 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 69 F 8.55 4.78 0.00 2.50 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 70 T 8.30 4.65 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 0.52 0.00 0.00 71 D 8.94 5.07 0.00 3.06 3.13 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 72 N 7.75 4.72 0.00 2.67 2.61 0.00 0.00 6.96 8.99 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 73 E 8.76 3.92 0.00 1.96 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 0.00 2.30 2.31 0.00 74 E 8.10 3.86 0.00 2.01 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 0.00 2.27 2.34 0.00 75 L 7.76 3.95 0.00 1.58 1.34 0.72 1.15 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 76 F 7.49 4.32 0.00 2.69 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 77 N 8.36 4.46 0.00 2.86 2.89 0.00 0.00 7.03 6.89 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 78 I 7.89 3.58 1.93 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 1.40 1.03 0.34 0.00 0.00 79 F 8.25 4.34 0.00 3.12 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 80 A 7.64 4.53 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 81 L 8.04 4.59 0.00 1.67 1.71 1.05 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 82 K 7.49 4.29 0.00 1.74 1.61 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.31 7.81 83 P 0.00 4.31 0.00 2.15 1.97 0.00 3.56 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.06 0.00 84 V 8.75 3.60 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 1.19 0.00 0.00 0.99 0.00 0.00 85 K 8.04 4.14 0.00 1.96 1.94 0.00 1.61 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.49 7.81 86 E 8.10 4.30 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.33 0.00 87 R 7.62 3.49 0.00 1.45 0.66 0.00 2.98 0.00 0.00 2.50 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.57 0.00 88 F 7.83 4.54 0.00 2.98 2.92 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 89 R 7.81 4.21 0.00 1.95 2.00 0.00 3.15 0.00 0.00 3.44 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.63 0.00 90 E 7.64 4.56 0.00 1.89 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.36 0.00 91 I 7.29 4.74 1.93 0.00 0.00 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 1.43 0.64 0.89 0.00 0.00 92 K 8.47 4.48 0.00 1.74 1.59 0.00 1.38 0.00 0.00 1.24 0.00 0.00 2.65 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.35 7.81 93 Y 7.95 5.45 0.00 3.11 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 94 K 9.06 4.67 0.00 1.75 1.85 0.00 1.23 0.00 0.00 1.61 0.00 0.00 2.77 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.24 1.30 7.81 95 E 8.80 4.83 0.00 1.88 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 96 G 8.78 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 I 8.49 3.64 1.76 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.08 0.88 0.81 0.00 0.00 98 G 9.14 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 G 8.22 3.89 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 0.00 100 C 8.07 4.41 0.00 3.00 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 0.00 101 P 0.00 4.86 0.00 2.13 1.64 0.00 3.70 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 1.81 1.25 0.00 102 I 8.98 4.26 1.55 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.58 -0.13 0.00 0.00 103 L 8.81 4.48 0.00 1.41 1.49 0.39 0.62 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 0.00 104 Y 8.82 4.03 0.00 2.86 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 0.00 105 D 7.99 4.52 0.00 2.66 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 0.00 106 S 7.53 4.17 0.00 3.89 3.88 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 0.00 107 Y 8.07 4.49 0.00 3.00 3.11 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 0.00 108 A 7.35 5.25 1.30 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 0.00 0.00 109 Y 8.80 5.44 0.00 3.14 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 0.00 110 I 8.93 5.08 2.03 0.00 0.00 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 1.34 1.07 1.01 0.00 0.00 111 E 9.32 5.03 0.00 2.07 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 2.46 2.70 0.00 112 A 8.86 5.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 K 8.81 4.50 0.00 1.95 1.72 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.72 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.26 0.99 7.81 114 L 8.39 4.45 0.00 1.81 1.62 1.20 0.99 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 0.00 115 Y 9.16 4.56 0.00 3.00 3.12 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 0.00 116 D 7.84 4.79 0.00 2.84 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 T 8.41 5.18 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 118 I 8.53 4.49 1.84 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 1.23 0.64 0.88 0.00 0.00 119 D 8.71 4.89 0.00 2.53 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 0.00 120 V 8.48 4.14 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.87 0.00 0.00 121 G 8.53 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 0.00 122 D 8.57 4.72 0.00 2.91 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 H 8.00 5.44 0.00 2.95 3.15 0.00 5.75 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 S 8.90 4.99 0.00 3.88 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 0.00 125 I 8.77 4.46 1.84 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.64 1.04 0.00 0.00 126 I 8.33 4.38 0.56 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.18 0.34 0.00 0.00 127 V 8.81 4.93 2.38 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 1.07 0.00 0.00 1.00 0.00 0.00 128 G 9.45 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 E 9.24 4.65 0.00 2.00 1.89 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 2.28 2.34 0.00 130 V 8.52 3.88 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 0.79 0.00 0.00 0.98 0.00 0.00 131 I 8.64 4.25 2.05 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 1.53 1.15 0.97 0.00 0.00 132 D 7.70 4.52 0.00 2.70 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 0.00 0.00 0.00 0.00 133 G 8.00 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 0.00 0.00 0.00 0.00 134 Y 8.55 4.65 0.00 2.10 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 0.00 135 Q 8.77 4.73 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 7.08 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 136 I 8.71 4.10 2.03 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.08 0.90 0.00 0.00 137 R 7.92 4.67 0.00 1.78 1.91 0.00 3.29 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.69 0.00 138 D 8.92 4.63 0.00 2.74 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 0.00 139 N 8.07 4.69 0.00 2.71 2.74 0.00 0.00 6.71 7.45 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 0.00 140 F 7.58 4.86 0.00 2.78 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 0.00 141 T 8.38 4.39 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 1.22 0.00 0.00 142 P 0.00 4.72 0.00 2.38 2.39 0.00 3.71 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 2.06 2.05 0.00 143 L 8.53 5.22 0.00 1.67 1.80 1.16 1.00 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 0.00 144 V 8.85 4.68 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 0.71 0.00 0.00 1.06 0.00 0.00 145 Y 9.08 4.91 0.00 2.74 2.83 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 0.00 146 M 8.69 4.55 0.00 2.01 1.71 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.56 0.00 147 N 9.01 4.16 0.00 2.95 2.81 0.00 0.00 7.29 7.63 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 0.00 148 R 7.40 4.22 0.00 1.97 2.09 0.00 3.26 0.00 0.00 3.92 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 149 K 7.21 4.55 0.00 1.44 1.11 0.00 1.62 0.00 0.00 1.53 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.19 1.35 7.81 150 Y 8.44 4.94 0.00 2.85 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 0.00 151 Y 9.26 4.71 0.00 2.94 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 0.00 152 K 8.65 4.75 0.00 1.72 1.79 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.55 7.81 153 L 8.31 4.34 0.00 1.64 1.59 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 154 S 8.46 4.13 0.00 3.84 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 0.00 155 S 8.73 4.19 0.00 4.02 3.88 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