NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4205 8.3044 118.1948 55.1086 32.5364 174.3095 1 V 4.1949 7.9278 118.4404 60.6391 33.9865 173.7327 2 L 4.2619 8.3441 127.6669 54.1025 43.4903 176.8983 3 S 4.5818 8.8353 117.6228 57.5964 65.5698 175.0724 4 E 4.3354 8.7498 121.5532 59.3104 29.4002 178.7006 5 G 3.6203 8.1032 105.5544 47.5988 0.0000 175.4377 6 E 3.8661 8.0312 120.4159 59.1749 29.5031 179.3967 7 W 4.3578 8.0279 118.8013 59.9985 29.1524 178.6542 8 Q 4.1279 8.4284 118.1445 59.0224 28.0341 178.7343 9 L 4.1074 7.9694 119.8947 57.7316 41.6123 179.7876 10 V 3.7836 7.9321 118.2780 65.7770 31.5840 177.6844 11 L 4.4498 8.4019 117.7232 56.6402 41.1777 178.6124 12 H 4.3222 8.3117 119.1447 59.0474 29.9461 177.3134 13 V 3.8732 7.8630 120.6220 63.9221 31.5564 178.1629 14 W 4.0038 8.5540 129.1270 60.1394 30.2598 177.7357 15 A 4.0226 7.9984 120.0397 54.5026 17.9813 179.5786 16 K 3.9201 7.2027 117.9057 59.4251 32.1340 179.3366 17 V 2.8286 6.9937 118.3472 65.9894 31.0142 177.7726 18 E 3.7678 7.4165 115.6306 58.4173 29.3063 178.5667 19 A 4.2520 7.5017 120.0742 53.4017 19.8442 177.6918 20 D 4.6523 7.8658 116.8817 52.1536 42.7379 175.5504 21 V 3.4806 7.8972 122.9266 65.3628 32.0352 176.8584 22 A 4.1235 7.9822 120.3754 54.9509 18.3647 179.7290 23 G 3.6689 8.4321 105.7627 47.6721 0.0000 175.7740 24 H 4.1725 8.3058 118.8000 58.3869 28.6959 178.0278 25 G 3.7463 8.4733 107.9749 47.9470 0.0000 175.5453 26 Q 4.0023 8.1152 120.6720 58.8032 28.7959 178.5847 27 D 4.3302 7.8735 119.4655 57.5734 40.8147 179.1443 28 I 3.5476 7.7093 119.8303 64.5855 37.1135 178.6550 29 F 3.3077 8.0570 118.3569 60.1253 38.4876 177.9516 30 I 3.7699 7.9797 119.9540 64.1953 36.8266 178.3744 31 R 3.7709 7.9736 119.6114 59.1735 29.8680 178.2368 32 L 3.8717 7.8287 120.2343 58.4205 41.6077 179.1273 33 F 4.7510 8.3112 117.9358 60.3474 38.5221 178.0103 34 K 4.0632 8.1833 117.9186 59.5831 32.0741 179.3164 35 S 4.3426 8.2167 114.5775 60.3029 63.7933 174.2759 36 H 4.6451 8.4536 119.3605 52.2015 29.5874 171.9665 37 P 4.5150 0.0000 0.0000 64.5245 31.4937 177.6188 38 E 4.0826 8.2662 116.5849 59.6690 29.3291 179.1823 39 T 3.8276 8.2622 110.9040 64.4399 68.6967 176.1672 40 L 3.8583 8.0123 122.8494 57.8797 41.7753 178.5826 41 E 4.1613 7.9985 117.0892 58.5691 29.4506 178.5321 42 K 4.4558 8.1757 117.1386 56.5644 32.6848 176.7139 43 F 4.5755 8.1408 119.3954 55.5278 38.8617 176.2224 44 D 4.4478 8.5165 126.6146 56.8397 40.9049 178.5345 45 R 3.9119 7.6121 117.1172 57.7665 30.4606 176.9831 46 F 4.9409 7.6431 114.1528 56.8226 40.0522 176.4456 47 K 4.2051 8.0895 119.2688 58.0909 32.5534 177.1286 48 H 4.5560 7.9675 114.4416 56.2083 29.3127 175.4267 49 L 4.0875 7.4988 121.8987 55.0573 41.6071 176.9057 50 K 4.3586 9.2724 123.5611 56.9886 33.5339 176.5925 51 T 4.7494 7.3197 107.9218 58.9793 73.3644 174.1198 52 E 3.9332 8.6227 120.1745 58.9451 29.7258 178.3823 53 A 4.0561 7.8990 120.8267 55.0949 18.3173 179.2840 54 E 3.9753 8.0231 116.3038 59.6109 29.8331 179.1226 55 M 4.1915 8.3664 119.1578 58.4294 31.8354 178.9558 56 K 3.9710 8.3169 117.5750 59.2218 32.3225 178.6191 57 A 4.3673 7.6804 118.1851 52.1112 18.8703 177.1944 58 S 4.2935 7.5774 113.9573 57.3198 62.6913 174.4915 59 E 4.0320 8.7894 129.2769 59.1509 29.4310 178.2938 60 D 4.4333 8.0863 118.9176 57.1732 40.9663 178.0902 61 L 3.1339 8.0077 120.9480 57.8162 42.1084 179.0158 62 K 3.8691 7.9077 119.2921 59.3266 32.0851 179.0325 63 K 4.0430 8.2071 119.0083 59.4936 31.8726 178.8675 64 H 4.3082 8.3715 118.9042 59.1511 29.7095 177.5190 65 G 3.6643 8.1217 107.7898 47.8124 0.0000 175.8567 66 V 3.6300 7.7371 120.0714 65.9581 31.5654 178.1893 67 T 3.8743 7.9030 115.5616 66.6763 68.3723 176.6594 68 V 3.6726 7.9166 119.9616 66.2204 31.5730 178.1204 69 L 4.2534 8.3823 119.0084 57.9893 41.4113 179.5962 70 T 3.9552 8.3178 115.7613 66.7791 68.3253 176.5080 71 A 4.0511 8.1958 122.5371 54.9559 18.2704 179.4966 72 L 3.7548 8.1705 119.2333 58.0122 42.1321 179.3663 73 G 3.2400 8.4355 105.7717 47.6566 0.0000 175.5680 74 A 4.0436 7.7886 122.1386 54.7638 18.5953 179.5245 75 I 3.8490 7.2827 118.7144 64.4274 37.2558 178.5630 76 L 4.0287 7.8238 119.9437 57.4947 41.1679 179.3907 77 K 4.0540 7.6662 117.0331 58.3463 32.2708 179.0142 78 K 3.8972 7.9197 119.0807 56.5381 32.3247 176.8348 79 K 2.0000 8.0853 117.3756 56.4241 29.4283 176.4103 80 G 3.9510 7.9281 106.5639 45.7037 0.0000 174.0704 81 H 5.1066 7.6491 118.5544 54.3491 27.2934 174.6208 82 H 5.2233 7.1642 111.7378 54.0114 29.6632 176.2668 83 E 3.9599 8.5424 121.5563 60.2377 28.9906 179.2589 84 A 4.0460 7.8976 118.4752 55.2038 19.1809 179.0433 85 E 4.0801 8.1705 116.7089 59.4565 29.5013 179.1637 86 L 3.8660 8.2340 120.3751 57.6249 42.0984 178.7582 87 K 3.9154 7.8176 118.7278 59.2940 32.0395 177.3862 88 P 4.3591 0.0000 0.0000 65.4569 31.3603 178.2255 89 L 4.0216 7.4834 119.2993 58.0631 41.9868 178.7153 90 A 4.2250 8.3833 121.1054 55.1351 18.2266 179.4388 91 Q 3.8897 8.3115 118.3944 59.4090 29.1555 178.6598 92 S 4.0107 8.3723 115.4857 61.7033 63.0193 176.0790 93 H 4.1608 8.6628 119.5104 58.1180 28.2929 177.4815 94 A 2.8165 8.0604 122.2566 53.8516 18.4685 178.5288 95 T 4.0762 7.7965 109.3105 61.7972 68.6436 174.9395 96 K 4.1646 7.5189 119.8187 58.4487 33.2794 176.8804 97 H 4.3312 7.8126 114.1966 56.1888 29.4201 175.3121 98 K 3.3238 7.4901 117.2505 56.8725 28.4131 174.3038 99 I 4.4085 8.1292 119.6880 58.7514 39.3722 174.8439 100 P 4.6678 0.0000 0.0000 61.9862 32.6266 177.1581 101 I 3.6244 7.9678 121.0045 64.5537 36.9969 178.5978 102 K 3.6751 7.9616 119.8636 59.8382 31.9100 178.2451 103 Y 4.1201 8.0572 116.9253 60.8410 37.8640 178.2766 104 L 4.2288 7.8692 119.6164 57.5644 41.7449 179.1480 105 E 4.0414 8.0110 118.9485 59.3283 29.3727 179.1731 106 F 4.4850 7.7600 117.7149 60.7714 38.8711 177.5278 107 I 3.8351 8.1382 118.0066 63.6430 37.7247 178.1301 108 S 4.1456 7.9592 116.1100 61.4840 62.5915 176.0887 109 E 3.9718 8.3090 121.7559 59.3944 29.4425 178.7811 110 A 3.9740 8.0098 120.7416 55.1213 18.2669 179.7482 111 I 3.6990 8.0014 118.8216 64.6000 37.1301 178.7356 112 I 3.8370 7.9171 120.8155 64.3751 36.9311 177.9956 113 H 4.1164 8.5555 119.4758 59.3230 29.6677 177.5594 114 V 3.5648 7.9083 120.0211 65.9675 31.2562 177.9763 115 L 3.7681 7.9734 118.9959 57.8416 41.0402 178.9487 116 H 4.2935 7.9454 117.4223 59.4527 29.8777 177.2683 117 S 4.1606 7.9013 116.0176 61.3155 62.7304 176.2361 118 R 4.1260 7.9755 119.6603 57.2274 31.0971 176.4990 119 H 5.0371 8.2633 116.0596 53.7652 29.6072 173.3576 120 P 4.2746 0.0000 0.0000 66.0003 31.3664 178.9484 121 G 3.6702 8.1333 106.4183 47.4672 0.0000 173.7335 122 N 5.0688 8.2434 115.9219 52.8463 39.1044 175.0261 123 F 4.9743 7.8436 119.5103 56.3114 39.8586 175.2491 124 G 3.8731 7.8702 108.3307 44.1953 0.0000 172.3165 125 A 3.8724 8.4061 120.7114 55.3347 18.4469 179.7882 126 D 4.1867 7.9507 116.6395 57.5150 40.9096 178.7572 127 A 3.9475 7.7795 120.7297 55.0773 18.3013 179.3319 128 Q 3.1504 7.9256 118.6380 58.8980 29.0300 178.6053 129 G 3.4946 8.0728 106.6488 47.6360 0.0000 175.5997 130 A 3.8747 7.8486 123.1059 55.0013 18.4019 179.4360 131 M 3.9755 8.3131 117.1360 58.7113 32.3289 177.9288 132 N 4.3147 8.5000 117.6813 56.6216 39.0730 176.7776 133 K 3.8678 8.1869 120.8459 59.3627 32.2189 178.7188 134 A 3.8294 7.9566 121.2592 54.9386 18.1737 179.5336 135 L 4.1591 8.1610 117.4634 57.6041 41.6614 179.4393 136 E 3.9793 8.4174 119.0202 59.0711 29.2723 179.0002 137 L 3.9457 8.1671 120.6101 58.0688 42.1279 178.7416 138 F 4.1048 8.4344 120.6087 61.4893 39.2443 177.3313 139 R 3.4854 8.2837 117.9225 58.9473 29.8413 179.0253 140 K 3.8767 8.2739 119.7954 59.4926 32.1926 178.7377 141 D 4.3327 8.2739 119.5144 57.2541 40.7034 178.8201 142 I 3.4346 7.6851 120.5519 64.1157 36.9799 178.2654 143 A 3.7528 7.9984 121.7800 55.0655 18.2621 179.5875 144 A 3.9813 8.0364 119.2517 55.1291 18.3816 180.0583 145 K 4.0409 7.9550 117.1824 59.5152 32.1605 178.9733 146 Y 4.3746 8.5025 117.6905 61.2790 37.9535 178.8108 147 K 3.9919 8.1872 120.2467 59.7050 32.0699 178.6996 148 E 4.0528 7.9043 117.4005 59.1277 29.4569 178.7149 149 L 4.2905 7.9214 117.4909 55.3807 41.9823 177.8071 150 G 4.0724 7.8783 106.3944 45.3440 0.0000 173.4037 151 Y 4.1778 7.7473 120.2582 59.0225 40.2473 176.5184 152 Q 3.1441 7.4750 119.0189 56.9944 27.3600 174.2501 153 G 2.8017 6.6280 115.5327 45.4015 0.0000 172.9492 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 0 M 8.30 4.42 0.00 2.12 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 2.47 2.53 0.00 1 V 7.93 4.19 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 0.89 0.00 0.00 0.95 0.00 0.00 2 L 8.34 4.26 0.00 0.93 0.78 0.60 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.84 4.58 0.00 4.04 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 4 E 8.75 4.34 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 2.43 2.51 0.00 5 G 8.10 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.03 3.87 0.00 1.93 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 0.00 2.21 2.26 0.00 7 W 8.03 4.36 0.00 3.58 3.22 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 0.00 0.00 0.00 0.00 8 Q 8.43 4.13 0.00 2.37 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.45 2.68 0.00 9 L 7.97 4.11 0.00 1.88 1.75 0.89 0.78 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 10 V 7.93 3.78 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 1.18 0.00 0.00 0.92 0.00 0.00 11 L 8.40 4.45 0.00 1.87 1.81 0.97 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.31 4.32 0.00 3.45 3.54 0.00 5.77 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.86 3.87 2.44 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 1.03 0.00 0.00 0.86 0.00 0.00 14 W 8.55 4.00 0.00 3.62 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 15 A 8.00 4.02 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 16 K 7.20 3.92 0.00 1.69 1.63 0.00 1.64 0.00 0.00 1.46 0.00 0.00 2.73 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.45 7.81 17 V 6.99 2.83 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 0.00 0.00 -0.01 0.00 0.00 0.42 0.00 0.00 18 E 7.42 3.77 0.00 1.98 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 2.20 2.00 0.00 19 A 7.50 4.25 1.28 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 0.00 0.00 0.00 20 D 7.87 4.65 0.00 2.69 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.90 3.48 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 1.05 0.00 0.00 0.81 0.00 0.00 22 A 7.98 4.12 1.31 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 0.00 0.00 23 G 8.43 3.67 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 0.00 0.00 0.00 24 H 8.31 4.17 0.00 3.23 3.24 0.00 5.83 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 25 G 8.47 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.12 4.00 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.69 0.00 0.00 0.00 0.00 0.00 2.34 2.56 0.00 27 D 7.87 4.33 0.00 2.87 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 28 I 7.71 3.55 1.94 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 1.43 0.65 0.47 0.00 0.00 29 F 8.06 3.31 0.00 2.97 2.48 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 0.00 30 I 7.98 3.77 1.92 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 1.44 0.72 0.91 0.00 0.00 31 R 7.97 3.77 0.00 1.91 2.05 0.00 2.99 0.00 0.00 2.79 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 32 L 7.83 3.87 0.00 1.57 1.34 0.99 1.32 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 33 F 8.31 4.75 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 34 K 8.18 4.06 0.00 1.78 1.84 0.00 1.70 0.00 0.00 1.81 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.65 7.81 35 S 8.22 4.34 0.00 3.73 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 H 8.45 4.65 0.00 2.85 2.70 0.00 5.62 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 37 P 0.00 4.51 0.00 2.16 2.10 0.00 3.83 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.99 0.00 38 E 8.27 4.08 0.00 2.29 2.30 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 2.25 2.51 0.00 39 T 8.26 3.83 4.49 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 0.85 0.00 0.00 40 L 8.01 3.86 0.00 1.46 1.76 0.07 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 41 E 8.00 4.16 0.00 2.24 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 42 K 8.18 4.46 0.00 1.90 1.66 0.00 1.86 0.00 0.00 1.76 0.00 0.00 3.17 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.76 1.98 7.81 43 F 8.14 4.58 0.00 3.33 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 44 D 8.52 4.45 0.00 2.60 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 R 7.61 3.91 0.00 0.98 0.66 0.00 3.02 0.00 0.00 2.94 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.43 0.00 46 F 7.64 4.94 0.00 2.84 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 47 K 8.09 4.21 0.00 1.87 2.20 0.00 1.58 0.00 0.00 1.78 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.66 1.45 7.81 48 H 7.97 4.56 0.00 3.30 3.48 0.00 5.53 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.50 4.09 0.00 1.61 1.59 0.91 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.27 4.36 0.00 1.69 1.84 0.00 1.65 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.49 7.81 51 T 7.32 4.75 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 52 E 8.62 3.93 0.00 2.06 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 2.37 2.37 0.00 53 A 7.90 4.06 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 54 E 8.02 3.98 0.00 2.12 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 55 M 8.37 4.19 0.00 2.07 2.31 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.64 0.00 56 K 8.32 3.97 0.00 1.67 1.86 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.46 1.72 7.81 57 A 7.68 4.37 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 58 S 7.58 4.29 0.00 3.92 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.79 4.03 0.00 2.13 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 60 D 8.09 4.43 0.00 3.05 3.04 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 61 L 8.01 3.13 0.00 1.20 1.55 -0.23 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.91 3.87 0.00 1.85 1.89 0.00 1.67 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.45 7.81 63 K 8.21 4.04 0.00 2.06 1.88 0.00 1.75 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.66 7.81 64 H 8.37 4.31 0.00 3.38 3.27 0.00 5.79 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 65 G 8.12 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 V 7.74 3.63 2.25 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 1.11 0.00 0.00 0.97 0.00 0.00 67 T 7.90 3.87 4.44 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 1.27 0.00 0.00 68 V 7.92 3.67 2.42 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 1.24 0.00 0.00 1.03 0.00 0.00 69 L 8.38 4.25 0.00 1.81 1.91 0.95 1.11 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 70 T 8.32 3.96 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 1.26 0.00 0.00 71 A 8.20 4.05 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 72 L 8.17 3.75 0.00 1.64 1.76 0.32 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.44 3.24 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 0.00 0.00 0.00 0.00 74 A 7.79 4.04 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 75 I 7.28 3.85 1.84 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 1.53 0.63 0.87 0.00 0.00 76 L 7.82 4.03 0.00 1.25 1.60 -0.10 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.67 4.05 0.00 1.74 1.80 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.14 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.48 1.50 7.81 78 K 7.92 3.90 0.00 1.83 1.79 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.86 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.60 1.84 7.81 79 K 8.09 2.00 0.00 1.31 0.74 0.00 1.50 0.00 0.00 1.42 0.00 0.00 2.73 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.46 0.97 7.81 80 G 7.93 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 H 7.65 5.11 0.00 3.20 3.21 0.00 5.76 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.16 5.22 0.00 3.31 3.43 0.00 5.68 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.54 3.96 0.00 2.09 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 0.00 2.43 2.50 0.00 84 A 7.90 4.05 1.31 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 0.00 0.00 85 E 8.17 4.08 0.00 2.25 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 2.41 2.44 0.00 86 L 8.23 3.87 0.00 2.05 1.69 1.05 0.63 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 87 K 7.82 3.92 0.00 2.04 1.89 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.50 7.81 88 P 0.00 4.36 0.00 2.31 2.34 0.00 3.78 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 2.12 2.05 0.00 89 L 7.48 4.02 0.00 1.95 1.95 1.12 0.94 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 90 A 8.38 4.23 1.49 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 0.00 0.00 91 Q 8.31 3.89 0.00 2.16 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 92 S 8.37 4.01 0.00 3.98 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 93 H 8.66 4.16 0.00 3.62 3.61 0.00 5.80 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 94 A 8.06 2.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.80 4.08 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 1.14 0.00 0.00 96 K 7.52 4.16 0.00 1.57 1.57 0.00 1.72 0.00 0.00 1.49 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.21 1.34 7.81 97 H 7.81 4.33 0.00 3.04 3.19 0.00 5.86 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.49 3.32 0.00 1.78 1.78 0.00 1.58 0.00 0.00 1.61 0.00 0.00 3.01 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.24 1.29 7.81 99 I 8.13 4.41 2.13 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 1.57 1.00 1.15 0.00 0.00 100 P 0.00 4.67 0.00 1.98 2.00 0.00 3.11 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 0.86 1.54 0.00 101 I 7.97 3.62 1.82 0.00 0.00 0.46 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 0.86 0.82 0.00 0.00 102 K 7.96 3.68 0.00 1.73 1.67 0.00 0.93 0.00 0.00 1.62 0.00 0.00 3.10 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.48 1.07 7.81 103 Y 8.06 4.12 0.00 3.20 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 0.00 104 L 7.87 4.23 0.00 1.82 1.80 0.73 1.17 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 0.00 105 E 8.01 4.04 0.00 2.06 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 2.32 2.30 0.00 106 F 7.76 4.48 0.00 3.19 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 0.00 107 I 8.14 3.84 1.93 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.33 1.03 0.00 0.00 108 S 7.96 4.15 0.00 4.24 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 0.00 109 E 8.31 3.97 0.00 2.29 2.26 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 2.37 2.41 0.00 110 A 8.01 3.97 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 0.00 111 I 8.00 3.70 2.06 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 1.55 0.64 1.01 0.00 0.00 112 I 7.92 3.84 2.17 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.80 1.11 0.00 0.00 113 H 8.56 4.12 0.00 3.33 3.52 0.00 5.78 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 0.00 114 V 7.91 3.56 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 1.00 0.00 0.00 0.97 0.00 0.00 115 L 7.97 3.77 0.00 0.37 0.61 0.80 1.11 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 0.00 116 H 7.95 4.29 0.00 3.47 3.61 0.00 5.95 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.90 4.16 0.00 3.92 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 0.00 118 R 7.98 4.13 0.00 1.59 1.51 0.00 2.81 0.00 0.00 3.02 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.47 0.00 119 H 8.26 5.04 0.00 3.17 3.19 0.00 5.64 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 0.00 120 P 0.00 4.27 0.00 2.21 2.28 0.00 3.73 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 2.06 1.94 0.00 121 G 8.13 3.67 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 0.00 0.00 0.00 122 N 8.24 5.07 0.00 2.79 2.94 0.00 0.00 6.68 7.04 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 0.00 123 F 7.84 4.97 0.00 2.93 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 0.00 124 G 7.87 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 0.00 125 A 8.41 3.87 1.27 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 0.00 0.00 0.00 126 D 7.95 4.19 0.00 2.64 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 0.00 127 A 7.78 3.95 1.31 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 0.00 0.00 128 Q 7.93 3.15 0.00 1.26 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.23 2.23 0.00 129 G 8.07 3.49 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 0.00 0.00 0.00 130 A 7.85 3.87 1.27 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 0.00 0.00 0.00 131 M 8.31 3.98 0.00 2.35 2.36 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 2.75 2.89 0.00 132 N 8.50 4.31 0.00 2.90 2.92 0.00 0.00 6.86 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 K 8.19 3.87 0.00 2.00 1.62 0.00 1.58 0.00 0.00 1.53 0.00 0.00 2.81 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.33 1.37 7.81 134 A 7.96 3.83 1.22 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 0.00 0.00 0.00 0.00 0.00 0.00 135 L 8.16 4.16 0.00 1.77 1.81 0.98 0.72 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 0.00 136 E 8.42 3.98 0.00 2.14 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 2.33 2.62 0.00 137 L 8.17 3.95 0.00 1.86 1.96 1.03 0.98 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 0.00 138 F 8.43 4.10 0.00 3.12 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 R 8.28 3.49 0.00 2.05 1.85 0.00 3.15 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.82 0.00 140 K 8.27 3.88 0.00 1.76 2.01 0.00 1.61 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.44 7.81 141 D 8.27 4.33 0.00 2.85 2.68 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 0.00 142 I 7.69 3.43 1.18 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 -0.36 0.10 0.00 0.00 143 A 8.00 3.75 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 0.00 144 A 8.04 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 0.00 145 K 7.96 4.04 0.00 2.02 1.94 0.00 1.59 0.00 0.00 1.65 0.00 0.00 3.17 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.55 7.81 146 Y 8.50 4.37 0.00 3.35 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 0.00 147 K 8.19 3.99 0.00 1.87 1.95 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.49 7.81 148 E 7.90 4.05 0.00 2.19 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 2.36 2.57 0.00 149 L 7.92 4.29 0.00 1.79 1.72 0.98 0.88 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 0.00 150 G 7.88 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 0.00 0.00 0.00 151 Y 7.75 4.18 0.00 2.58 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 0.00 152 Q 7.47 3.14 0.00 2.11 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.68 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 153 G 6.63 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 0.00 0.00 0.00