NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2905 8.3144 120.1349 56.1253 34.3745 175.4045 2 K 4.0829 7.5178 115.5545 55.3389 34.6202 172.3131 3 Q 4.6042 8.6070 123.6363 54.3598 31.8607 176.8729 4 C 4.4931 8.3716 121.1507 56.3069 41.9730 173.6510 5 G 3.8692 7.4994 110.7309 42.8106 0.0000 170.5086 6 V 3.5581 8.2232 118.2328 66.3150 31.2827 178.5310 7 L 3.9696 7.7896 118.1485 57.6833 41.5249 179.1432 8 E 3.9941 8.1481 117.3523 59.3022 29.4624 179.3140 9 G 3.4450 8.3038 106.9057 47.3176 0.0000 175.5436 10 L 3.9395 8.0126 121.6957 57.4710 41.6221 179.6032 11 K 3.9102 8.1374 119.4331 59.6056 32.0962 178.9762 12 V 2.9439 7.8597 118.8155 65.5073 31.2596 177.9425 13 K 3.9010 8.0733 118.4195 59.6909 31.9673 179.4614 14 S 4.1868 7.8977 114.6763 61.8504 62.9279 176.7354 15 E 4.2481 8.6748 121.4617 58.9195 29.2103 179.3162 16 W 4.7554 8.9672 129.1708 60.5717 30.4832 177.8698 17 G 3.8526 8.2975 105.7738 48.3887 0.0000 175.7679 18 R 3.7684 7.9755 119.1053 58.3315 30.0905 178.4759 19 A 3.9665 7.4597 119.3781 54.1259 19.0002 178.5652 20 Y 3.1630 7.5700 118.0520 60.8973 39.2071 177.4540 21 G 3.6076 7.2726 107.3386 45.7286 0.0000 171.5080 22 S 4.2851 7.9954 112.2343 57.2416 67.1650 175.1275 23 G 3.6906 8.3340 109.4817 46.6170 0.0000 175.9756 24 H 4.3788 8.6615 117.2534 58.9181 28.5025 176.8138 25 D 4.3517 8.0596 120.2980 57.3421 40.6397 178.7125 26 R 3.9930 7.7625 118.8874 59.2728 30.0588 178.3209 27 E 4.1443 8.0957 117.7340 59.5360 29.4964 179.1418 28 A 4.0525 8.2180 120.7319 55.1431 18.5386 179.3810 29 F 4.1468 8.4647 119.0567 61.7071 39.3818 177.3573 30 S 4.1723 8.7153 115.1298 61.9162 62.5724 176.9450 31 Q 4.2061 8.4366 120.3523 58.8200 28.5614 178.1453 32 A 3.9624 8.3451 122.2784 55.4079 18.2669 179.8390 33 I 3.2600 7.2543 117.3798 64.2653 37.0501 178.8088 34 W 3.7772 7.6292 119.8080 59.5875 28.7656 178.8933 35 R 3.9734 8.4545 118.3143 59.1848 29.3354 178.9409 36 A 3.9682 7.9686 120.5753 55.2413 17.7724 179.7775 37 T 3.7791 7.7944 114.2906 66.9654 68.0730 176.8635 38 F 4.6468 8.2554 119.6905 60.6987 38.7001 177.5726 39 A 4.0823 8.3869 120.0141 54.9728 18.1608 178.9351 40 Q 4.2945 7.6114 117.0450 57.4336 30.8997 176.5032 41 V 4.5463 8.0929 113.3992 57.5944 32.1191 174.0386 42 P 4.4326 0.0000 0.0000 65.0830 30.7036 178.2185 43 E 4.0209 8.3818 118.3067 59.5140 29.4044 179.1586 44 S 3.8831 8.1879 114.2050 60.6359 62.8265 176.2779 45 R 3.4394 7.6220 123.0402 59.4563 29.4287 178.3793 46 S 4.0757 7.4519 111.6000 61.2935 62.8162 176.1998 47 L 3.9628 7.6203 121.4179 56.3313 41.3425 177.6200 48 F 4.7923 7.8329 117.5419 56.9108 39.5640 177.4016 49 K 3.8903 8.0208 125.3476 59.5377 32.0224 178.6483 50 R 4.1006 7.9111 117.0714 57.9595 30.1397 176.5979 51 V 4.4790 7.1133 115.9114 61.8299 32.2153 174.7749 52 H 4.1983 7.5973 114.0177 56.7249 26.3322 177.2872 53 G 3.5828 8.4607 109.8256 47.9833 0.0000 175.3391 54 D 4.1827 7.9443 119.2713 55.1594 39.9815 175.1118 55 D 4.5413 8.1233 119.3070 52.4098 42.6044 175.5845 56 T 3.6317 8.3428 116.5085 62.8368 69.1856 175.3929 57 S 4.5468 8.1380 117.7434 59.5884 63.8755 174.7219 58 H 4.2171 8.0549 121.4989 55.3278 31.2299 173.9087 59 P 4.2850 0.0000 0.0000 66.2092 31.1941 178.6302 60 A 4.0383 8.2872 119.9613 54.7658 18.2118 179.2481 61 F 4.0773 8.2094 118.9079 61.2096 39.5590 177.2963 62 I 3.7083 8.0927 119.3309 64.3965 36.8987 178.0228 63 A 3.9738 8.1294 121.4958 55.5633 18.1607 179.0643 64 H 3.9249 7.9806 115.9910 59.3840 29.8802 177.3681 65 A 3.8478 7.7341 122.7377 55.1623 18.2226 179.2386 66 D 4.4888 8.8241 117.9135 57.5684 40.8538 179.1241 67 R 3.9435 8.1726 119.3651 59.3063 30.0444 178.7343 68 V 3.6607 7.9611 118.0908 66.2437 31.6144 178.1310 69 L 4.3647 8.4638 118.5421 57.4632 41.5434 179.8194 70 G 3.8856 8.4074 106.4956 47.6673 0.0000 176.1226 71 G 3.6453 8.1515 108.3227 47.5264 0.0000 175.5975 72 L 3.8450 8.1760 123.3094 57.6446 42.0053 178.4297 73 D 3.9302 8.2602 118.4404 57.2690 40.9253 178.3708 74 I 3.6690 7.4270 118.5095 64.2198 37.3135 177.9611 75 A 4.0533 7.7437 121.3328 55.3204 18.3588 179.7197 76 I 3.4161 7.6941 118.8131 64.4375 36.8927 178.9266 77 S 4.2909 8.0190 113.9912 60.4413 62.8499 175.0166 78 T 4.5702 7.3495 111.9494 61.1097 68.8146 176.1294 79 L 3.9231 7.6812 124.9635 58.3278 41.5961 177.9668 80 D 4.6465 7.9337 115.1202 53.8198 40.1345 176.7438 81 Q 4.5254 8.0416 120.6265 52.3044 29.2139 173.6175 82 P 4.1963 0.0000 0.0000 65.8877 31.2157 178.3291 83 A 3.9547 7.9206 119.8148 55.1944 18.3068 179.6507 84 T 3.8317 7.7870 113.7634 66.4890 68.5441 176.5191 85 L 3.8780 8.1425 122.6064 58.1095 42.0258 178.8556 86 K 3.7753 8.1726 119.5403 59.5675 32.0677 178.3270 87 E 3.9083 7.8419 119.6127 59.1234 29.5796 178.3485 88 E 3.9053 8.3846 119.5398 59.4076 29.6744 178.7312 89 L 3.9942 8.5824 119.6932 57.9165 41.5530 179.3652 90 D 4.3195 8.5008 119.2292 57.4838 40.6535 178.1068 91 H 4.0826 8.2235 118.7531 59.4142 29.9011 177.3139 92 L 4.2252 8.1310 120.6646 57.8605 41.3889 179.1824 93 Q 4.4213 8.3867 121.2405 58.7277 28.7286 178.5841 94 V 3.5905 7.8055 118.3768 66.1331 31.6457 177.7842 95 Q 4.1049 7.7689 116.1445 58.1715 28.8759 177.1447 96 H 4.7229 7.9624 116.3530 55.4129 30.0545 174.9231 97 E 4.1965 7.9654 119.5714 57.5399 30.0452 175.6262 98 G 4.3561 9.1406 115.2877 46.3554 0.0000 174.6098 99 R 4.0565 7.3500 118.2212 55.7340 30.5498 177.8676 100 K 4.2087 8.2944 122.1044 55.0133 30.6092 174.5124 101 I 4.2901 7.5900 120.7223 58.2594 37.9305 174.1135 102 P 4.4121 0.0000 0.0000 62.2318 32.0609 177.1661 103 D 4.6021 8.9653 120.0284 57.9242 40.8068 178.5922 104 N 4.2424 8.3193 116.7945 57.2362 38.7246 176.2265 105 Y 4.4335 8.2971 118.0487 61.3589 38.2182 177.8425 106 F 4.1685 8.4194 118.1391 60.6941 39.0416 177.2674 107 D 4.4131 8.8728 117.8715 57.3833 41.0340 178.1570 108 A 4.0531 8.1119 121.0203 54.9670 18.3495 179.2230 109 F 3.8681 8.4230 120.6420 60.6609 39.4648 177.1586 110 K 3.8888 8.2434 119.0869 59.9747 31.9871 178.7680 111 T 3.8617 7.8784 115.3609 66.4329 68.2418 176.5324 112 A 3.7789 8.0034 122.8894 55.0975 18.3303 179.3926 113 I 3.2717 7.4447 118.7112 64.7693 37.1623 178.6609 114 L 3.8133 7.8204 119.2795 57.7761 41.3791 179.2921 115 H 4.0179 7.9886 118.3069 59.1964 29.8307 177.5728 116 V 3.3698 7.7779 120.3787 65.7871 31.3304 178.0813 117 V 3.3789 7.7796 118.1102 65.8183 31.3616 177.5997 118 A 2.6661 7.2966 120.2580 54.7295 17.7957 179.5574 119 A 3.7306 7.2769 117.6831 55.4182 18.5811 179.2605 120 Q 4.0196 7.9131 115.5662 58.6946 29.1719 178.6919 121 L 4.5108 7.8165 117.0770 52.0128 42.6283 178.2461 122 G 3.8760 8.2922 108.8039 46.6901 0.0000 176.0500 123 R 4.0852 8.9559 122.2769 59.0520 30.4977 177.1020 124 C 4.6256 7.6617 116.5297 57.9889 26.5549 172.1208 125 Y 5.6905 7.3813 116.2299 55.2251 40.9425 175.5045 126 D 4.4675 8.6615 120.2430 52.1327 42.7586 176.5693 127 R 3.5915 7.6037 127.8233 59.4544 30.2961 177.9718 128 E 4.0557 8.1472 117.6173 59.2526 29.5207 179.0729 129 A 3.9917 8.5412 121.0215 54.7649 18.4738 179.7592 130 W 3.8836 8.4675 117.5692 59.9283 29.2180 177.9711 131 D 4.4411 8.8082 118.1361 57.6007 40.5872 178.4109 132 A 4.0017 7.9256 120.5937 55.4937 18.5395 179.0215 133 C 4.2935 8.1817 114.9642 59.9251 38.8929 176.4186 134 I 3.7007 8.4094 121.9822 64.2152 36.6126 177.9589 135 D 4.3836 8.1393 119.8640 57.9038 40.5279 178.3095 136 H 4.1394 7.9554 116.9414 59.5303 29.8861 176.9937 137 I 3.7816 7.5661 121.0266 64.3948 36.9132 178.3106 138 E 3.8884 8.5758 119.8373 59.2970 29.2277 178.9235 139 D 4.3286 8.5036 119.6935 57.3781 40.6426 178.9833 140 G 3.6336 7.5621 104.7395 46.7947 0.0000 175.3728 141 I 4.0424 7.2473 121.5356 63.6476 37.3964 178.1457 142 K 3.7567 7.5942 118.8132 58.0654 32.0002 178.8107 143 G 3.8543 7.9428 105.2567 45.5872 0.0000 173.1408 144 H 4.7835 7.4470 115.8249 54.5034 30.2063 174.9488 145 H 4.2336 9.0762 116.9476 56.7044 28.5179 175.4797 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 K 8.31 4.29 0.00 1.77 2.16 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.45 7.81 2 K 7.52 4.08 0.00 1.72 1.60 0.00 1.74 0.00 0.00 1.85 0.00 0.00 2.93 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.25 1.51 7.81 3 Q 8.61 4.60 0.00 2.04 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.29 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 4 C 8.37 4.49 0.00 2.94 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 5 G 7.50 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 6 V 8.22 3.56 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 1.11 0.00 0.00 0.90 0.00 0.00 7 L 7.79 3.97 0.00 1.75 1.67 0.90 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 8 E 8.15 3.99 0.00 2.07 2.15 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 2.48 2.52 0.00 9 G 8.30 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 L 8.01 3.94 0.00 2.00 1.72 0.90 0.60 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 11 K 8.14 3.91 0.00 1.80 1.89 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.50 7.81 12 V 7.86 2.94 1.68 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 -0.24 0.00 0.00 0.30 0.00 0.00 13 K 8.07 3.90 0.00 1.99 1.87 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.58 7.81 14 S 7.90 4.19 0.00 4.05 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.67 4.25 0.00 2.64 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.68 0.00 16 W 8.97 4.76 0.00 3.52 3.36 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 17 G 8.30 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 R 7.98 3.77 0.00 1.98 1.99 0.00 3.17 0.00 0.00 3.25 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 19 A 7.46 3.97 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 0.00 0.00 0.00 0.00 0.00 20 Y 7.57 3.16 0.00 1.43 2.36 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 21 G 7.27 3.61 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 0.00 0.00 0.00 22 S 8.00 4.29 0.00 3.83 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 G 8.33 3.69 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 0.00 0.00 0.00 24 H 8.66 4.38 0.00 3.18 3.35 0.00 5.63 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 25 D 8.06 4.35 0.00 2.75 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 26 R 7.76 3.99 0.00 1.64 1.96 0.00 2.96 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.46 0.00 27 E 8.10 4.14 0.00 2.32 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 2.49 0.00 28 A 8.22 4.05 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 29 F 8.46 4.15 0.00 3.18 3.33 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 30 S 8.72 4.17 0.00 4.19 4.06 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 31 Q 8.44 4.21 0.00 2.32 2.26 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 2.58 2.77 0.00 32 A 8.35 3.96 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 33 I 7.25 3.26 1.40 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 -0.02 -0.02 0.00 0.00 34 W 7.63 3.78 0.00 3.49 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 35 R 8.45 3.97 0.00 1.90 2.00 0.00 3.17 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.79 0.00 36 A 7.97 3.97 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 37 T 7.79 3.78 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 1.28 0.00 0.00 38 F 8.26 4.65 0.00 3.09 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 39 A 8.39 4.08 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 40 Q 7.61 4.29 0.00 2.04 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.12 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 41 V 8.09 4.55 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.98 0.00 0.00 42 P 0.00 4.43 0.00 2.26 2.35 0.00 3.94 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 2.11 1.96 0.00 43 E 8.38 4.02 0.00 2.21 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 2.49 2.46 0.00 44 S 8.19 3.88 0.00 3.65 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 7.62 3.44 0.00 1.48 1.73 0.00 2.55 0.00 0.00 2.91 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.50 0.00 46 S 7.45 4.08 0.00 4.05 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 47 L 7.62 3.96 0.00 1.18 0.88 0.97 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 48 F 7.83 4.79 0.00 3.23 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 8.02 3.89 0.00 1.94 1.75 0.00 1.54 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.43 7.81 50 R 7.91 4.10 0.00 1.77 1.90 0.00 3.21 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 1.60 1.59 0.00 51 V 7.11 4.48 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 0.85 0.00 0.00 0.97 0.00 0.00 52 H 7.60 4.20 0.00 3.37 3.34 0.00 5.83 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 53 G 8.46 3.58 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 0.00 0.00 0.00 54 D 7.94 4.18 0.00 2.76 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 D 8.12 4.54 0.00 2.71 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 56 T 8.34 3.63 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 57 S 8.14 4.55 0.00 4.06 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 H 8.05 4.22 0.00 3.50 3.31 0.00 5.60 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 P 0.00 4.28 0.00 2.30 2.29 0.00 3.16 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.92 0.00 60 A 8.29 4.04 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 F 8.21 4.08 0.00 3.33 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 62 I 8.09 3.71 2.06 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.01 1.00 0.00 0.00 63 A 8.13 3.97 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 64 H 7.98 3.92 0.00 3.17 3.16 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 A 7.73 3.85 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 66 D 8.82 4.49 0.00 2.97 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 67 R 8.17 3.94 0.00 2.13 2.02 0.00 3.13 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 68 V 7.96 3.66 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 1.37 0.00 0.00 0.96 0.00 0.00 69 L 8.46 4.36 0.00 2.15 2.22 1.30 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 70 G 8.41 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 71 G 8.15 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.18 3.85 0.00 1.77 1.68 0.82 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 73 D 8.26 3.93 0.00 2.93 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 74 I 7.43 3.67 2.01 0.00 0.00 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 1.48 0.87 0.90 0.00 0.00 75 A 7.74 4.05 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 76 I 7.69 3.42 1.16 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.66 0.62 0.00 0.00 77 S 8.02 4.29 0.00 4.05 4.14 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 78 T 7.35 4.57 4.22 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 1.25 0.00 0.00 79 L 7.68 3.92 0.00 1.61 1.71 0.73 0.88 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 80 D 7.93 4.65 0.00 2.76 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 8.04 4.53 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.77 0.00 0.00 0.00 0.00 0.00 2.25 2.24 0.00 82 P 0.00 4.20 0.00 2.25 2.32 0.00 3.74 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 2.07 2.04 0.00 83 A 7.92 3.95 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 T 7.79 3.83 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 1.20 0.00 0.00 85 L 8.14 3.88 0.00 1.90 1.82 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 86 K 8.17 3.78 0.00 2.01 1.95 0.00 1.54 0.00 0.00 1.55 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.48 7.81 87 E 7.84 3.91 0.00 2.24 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 2.30 2.36 0.00 88 E 8.38 3.91 0.00 2.10 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 2.29 2.39 0.00 89 L 8.58 3.99 0.00 1.78 1.65 0.85 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 90 D 8.50 4.32 0.00 2.84 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 91 H 8.22 4.08 0.00 3.38 3.52 0.00 5.78 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 92 L 8.13 4.23 0.00 1.94 1.78 0.98 0.72 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 93 Q 8.39 4.42 0.00 2.37 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 94 V 7.81 3.59 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 0.86 0.00 0.00 0.99 0.00 0.00 95 Q 7.77 4.10 0.00 2.20 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 96 H 7.96 4.72 0.00 3.33 3.50 0.00 5.82 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 97 E 7.97 4.20 0.00 2.06 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 2.53 2.26 0.00 98 G 9.14 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 0.00 0.00 0.00 0.00 99 R 7.35 4.06 0.00 1.96 1.84 0.00 3.11 0.00 0.00 3.14 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 100 K 8.29 4.21 0.00 1.73 1.75 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.44 7.81 101 I 7.59 4.29 2.04 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.62 0.74 0.00 0.00 102 P 0.00 4.41 0.00 1.93 1.96 0.00 3.07 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.27 0.00 103 D 8.97 4.60 0.00 2.76 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 0.00 104 N 8.32 4.24 0.00 2.85 2.79 0.00 0.00 7.23 7.56 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 0.00 105 Y 8.30 4.43 0.00 3.06 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 0.00 106 F 8.42 4.17 0.00 3.39 3.47 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 0.00 107 D 8.87 4.41 0.00 3.04 2.99 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 0.00 0.00 0.00 0.00 108 A 8.11 4.05 1.48 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 0.00 0.00 109 F 8.42 3.87 0.00 3.00 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 0.00 110 K 8.24 3.89 0.00 2.27 2.07 0.00 1.98 0.00 0.00 1.80 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.58 7.81 111 T 7.88 3.86 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 112 A 8.00 3.78 1.06 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 0.00 0.00 113 I 7.44 3.27 1.85 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 1.03 -0.18 1.00 0.00 0.00 114 L 7.82 3.81 0.00 2.00 1.77 1.18 0.92 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 0.00 115 H 7.99 4.02 0.00 3.28 3.38 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 0.00 116 V 7.78 3.37 1.77 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 0.83 0.00 0.00 0.82 0.00 0.00 117 V 7.78 3.38 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.69 0.00 0.00 118 A 7.30 2.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 A 7.28 3.73 1.19 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 0.00 0.00 120 Q 7.91 4.02 0.00 2.08 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.67 0.00 0.00 0.00 0.00 0.00 2.58 2.68 0.00 121 L 7.82 4.51 0.00 1.62 1.67 1.14 0.82 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 0.00 122 G 8.29 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 0.00 123 R 8.96 4.09 0.00 1.84 2.05 0.00 3.22 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 1.66 1.66 0.00 124 C 7.66 4.63 0.00 3.02 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 Y 7.38 5.69 0.00 3.23 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 D 8.66 4.47 0.00 2.72 2.60 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 0.00 127 R 7.60 3.59 0.00 1.65 1.78 0.00 3.35 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.82 0.00 128 E 8.15 4.06 0.00 2.18 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 2.40 2.36 0.00 129 A 8.54 3.99 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 0.00 130 W 8.47 3.88 0.00 3.56 3.40 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 0.00 131 D 8.81 4.44 0.00 2.91 2.87 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 0.00 132 A 7.93 4.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 C 8.18 4.29 0.00 2.91 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 0.00 134 I 8.41 3.70 1.99 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 2.00 1.21 1.02 0.00 0.00 135 D 8.14 4.38 0.00 3.10 2.75 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 0.00 136 H 7.96 4.14 0.00 3.17 3.50 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 0.00 137 I 7.57 3.78 1.97 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.48 0.87 0.00 0.00 138 E 8.58 3.89 0.00 2.09 1.83 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 2.55 2.62 0.00 139 D 8.50 4.33 0.00 2.75 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 0.00 140 G 7.56 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 0.00 141 I 7.25 4.04 1.74 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 1.64 1.47 0.93 0.00 0.00 142 K 7.59 3.76 0.00 1.44 1.67 0.00 1.67 0.00 0.00 1.13 0.00 0.00 2.78 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.30 0.55 7.81 143 G 7.94 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 H 7.45 4.78 0.00 3.11 3.20 0.00 5.74 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 0.00 145 H 9.08 4.23 0.00 3.10 3.25 0.00 5.75 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