NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0967 8.0549 120.3917 62.4844 32.6668 175.1650 2 L 4.0021 8.2590 127.1514 52.4505 42.3004 175.9193 3 S 4.5372 9.6565 119.0394 57.6619 66.2334 175.0215 4 E 4.2693 8.8460 121.4625 59.7496 29.2520 179.9558 5 G 3.6159 8.0696 105.1459 47.7628 0.0000 175.5124 6 E 3.9178 8.2117 120.9632 58.9788 29.3873 179.3244 7 W 4.4829 8.2709 119.2935 60.0064 29.0465 178.3051 8 Q 4.0837 8.6550 119.7013 59.1351 28.5248 178.2887 9 L 4.0466 7.9560 119.8434 57.7693 41.6490 179.6654 10 V 3.7576 7.9579 118.0296 66.2352 31.6317 177.9770 11 L 4.3523 8.5269 118.2506 57.1174 41.3404 178.8657 12 H 4.2275 8.4316 118.6667 59.2381 30.0285 177.3304 13 V 3.7587 7.9160 120.6219 64.4987 31.4614 178.1850 14 W 3.9165 8.6828 128.8345 59.9474 30.2665 177.8551 15 A 4.0357 7.9958 120.2913 54.8356 18.0967 179.4045 16 K 3.8955 7.6868 117.1887 59.4229 32.0008 179.6980 17 V 3.0125 6.9568 118.1192 65.5356 31.1578 177.1746 18 E 3.9774 7.2778 114.8281 57.4430 29.2896 178.2471 19 A 4.2068 7.3905 120.7595 53.7198 20.1444 177.8318 20 D 4.6553 7.9013 116.4294 52.1007 42.8700 175.4434 21 V 3.3789 7.9318 123.7012 65.8341 32.0612 176.8029 22 A 4.0553 8.0020 120.0461 55.0836 18.2630 179.7025 23 G 3.6591 8.4262 104.3126 46.0030 0.0000 175.7433 24 H 4.1543 8.2382 118.6982 58.5202 28.7008 178.1303 25 G 3.5463 8.2463 107.6313 47.7733 0.0000 175.6991 26 Q 3.8698 8.1201 120.5918 58.8354 28.7995 178.7356 27 D 4.2785 7.9773 119.6919 57.3586 40.7800 179.0692 28 I 3.6527 7.8974 120.4548 64.4162 37.0692 178.5734 29 L 3.4126 7.7452 119.7889 57.4164 41.2031 179.6064 30 I 3.5701 7.5493 119.8333 64.3755 36.9790 178.4081 31 R 3.7909 7.9000 119.4403 59.1549 29.8597 178.2834 32 L 3.9486 7.9011 120.1826 58.3490 41.6102 179.0852 33 F 4.5615 8.1972 118.0032 60.5664 38.5522 177.9603 34 K 4.0457 8.2116 117.6460 59.5220 31.9698 179.3028 35 S 4.3604 8.1407 114.4352 60.0604 64.0252 174.4991 36 H 4.6364 8.0815 118.4154 52.2265 29.5976 171.9330 37 P 4.4931 0.0000 0.0000 64.2020 31.4635 177.4312 38 E 4.0397 8.2490 116.6526 59.4810 29.3063 179.1962 39 T 4.0150 8.2391 111.4717 64.6290 68.8244 176.3642 40 L 3.5789 7.7985 123.1966 57.7314 41.8034 178.5257 41 E 3.9892 7.6782 117.4786 58.7423 29.6115 178.3132 42 K 4.4678 8.0141 116.8106 56.9364 32.7130 177.3324 43 F 4.6770 8.2478 119.4929 55.5046 39.6124 175.6501 44 D 4.4255 8.6125 124.5361 57.0483 41.0070 178.6047 45 R 3.8387 7.9085 118.2150 58.2181 30.2499 176.6059 46 F 5.0343 8.0888 114.0232 56.7228 40.6559 176.3827 47 K 4.1930 8.1061 119.0641 58.1584 32.6350 177.5419 48 H 4.3719 8.0612 115.0056 57.5387 28.9471 175.4162 49 L 4.1829 7.6751 121.7956 54.3951 41.7372 176.7171 50 K 4.5375 9.4042 122.4678 55.9108 34.4418 176.6439 51 T 4.7388 7.5187 108.6035 58.8693 73.1175 174.1277 52 E 3.9132 8.6987 121.9609 59.4813 29.6710 178.9815 53 A 3.9940 7.9394 120.3409 55.1889 18.2659 179.3205 54 E 3.9379 8.1269 116.2319 59.6390 29.8871 179.0607 55 M 4.1870 8.1157 118.7311 58.5716 31.8993 179.1085 56 K 4.0271 8.2399 116.8651 58.8035 32.2553 178.5489 57 A 4.4025 7.6592 119.3416 52.0386 19.1183 177.0490 58 S 4.3824 7.5252 113.6384 57.1671 62.7815 174.4253 59 E 4.0034 8.8623 129.3414 59.3506 29.4405 177.9970 60 D 4.4244 8.1886 117.8238 57.1253 41.2634 177.8255 61 L 3.5505 8.1261 121.1419 57.8287 42.1474 178.8696 62 K 3.8801 7.9753 119.2661 59.2621 32.1024 178.9585 63 K 3.9947 8.3189 118.9651 59.8990 31.9921 178.8941 64 H 4.4497 8.7085 118.6132 58.9740 29.6935 177.3543 65 G 3.6104 8.3780 108.1751 47.8018 0.0000 175.8299 66 V 3.5926 7.7067 119.9836 65.9698 31.6201 178.0653 67 T 3.8771 7.9241 115.5558 66.7581 68.3177 176.6452 68 V 3.5888 7.9093 119.9277 66.1841 31.6154 178.1692 69 L 4.2573 8.2302 118.6761 57.8243 41.4197 179.6427 70 T 3.9935 8.3905 116.2513 66.5340 68.4984 176.5780 71 A 4.0135 8.0226 122.6826 54.9821 18.3958 179.5002 72 L 3.7572 8.1734 119.1085 58.1128 42.1693 179.3849 73 G 3.2993 8.5655 105.9313 47.6088 0.0000 175.4884 74 A 4.0061 7.7891 122.2113 54.8755 18.6356 179.6080 75 I 3.7936 7.5561 117.9900 64.5955 37.2150 178.6757 76 L 3.9869 7.9931 120.1904 57.6005 41.1910 179.3036 77 K 4.0513 7.7388 116.2538 57.8284 32.3035 178.5226 78 K 3.9775 7.8325 118.7115 55.7814 32.7137 176.4442 79 K 2.0000 8.2776 118.2954 56.3717 29.7653 175.4428 80 G 3.9281 7.9269 106.0883 45.7415 0.0000 173.9129 81 H 4.5288 7.4388 119.0823 55.2445 27.4845 174.8645 82 H 5.2217 7.2919 110.6399 54.3464 29.9004 176.2654 83 E 3.9187 8.6497 122.5686 60.3888 29.0017 178.6233 84 A 4.0621 7.9231 118.5836 55.0652 18.1487 178.9713 85 E 4.1196 8.0988 116.8438 59.4596 29.7613 179.2021 86 L 4.2802 8.2354 119.1315 57.1372 41.5483 178.8835 87 K 3.7826 7.9601 119.8856 59.4768 31.9738 176.9205 88 P 4.3866 0.0000 0.0000 65.5532 31.2931 178.1172 89 L 3.9618 7.5234 120.3668 57.9709 42.0385 178.7158 90 A 4.1441 8.5208 121.0368 55.3542 18.3064 179.5354 91 Q 3.7934 8.2973 116.9088 59.1739 28.7256 179.4089 92 S 4.0045 8.2941 115.3629 61.6658 63.0850 176.2525 93 H 4.1118 8.6901 119.9862 58.2528 27.8443 177.7347 94 A 3.0736 8.0395 123.2543 54.6276 17.9351 179.2704 95 T 3.7043 7.2066 105.7267 61.9515 69.7131 175.4316 96 K 4.2039 7.4706 120.6009 58.1099 33.4394 176.7252 97 H 4.3677 7.9995 114.0207 55.9204 29.4337 175.1946 98 K 3.7890 6.9987 114.1969 57.4003 29.2681 176.4614 99 I 4.2384 7.9158 119.3804 58.7932 38.4343 175.0533 100 P 4.4180 0.0000 0.0000 62.2767 32.0666 177.4126 101 I 3.3430 8.4676 122.2379 64.7573 36.8860 178.4986 102 K 3.7133 7.8553 119.5067 59.5926 31.9895 178.1138 103 Y 4.1297 8.0459 116.7415 60.3304 37.7657 177.9471 104 L 4.2048 7.8763 120.5432 57.3655 41.6973 178.8286 105 E 3.9674 7.9152 119.0797 59.2871 29.6097 178.7228 106 F 4.4840 7.8315 117.7882 60.7989 38.9264 177.5803 107 I 3.8710 8.1726 118.1894 64.0133 37.7659 178.0452 108 S 4.2147 8.3264 116.3434 61.6643 62.6501 176.4908 109 E 4.0807 8.5323 121.0582 59.3059 29.2176 179.2746 110 A 4.0405 8.1896 120.9148 55.1269 18.3925 179.6927 111 I 3.6972 8.2076 118.7349 64.6633 37.2328 178.7212 112 I 3.8583 7.9547 120.5397 64.6562 36.9022 177.9728 113 H 4.1376 8.4475 119.0595 59.4207 29.7509 177.5598 114 V 3.5753 7.9725 120.0055 65.8789 31.3160 178.0045 115 L 3.7932 8.0172 119.0360 57.7026 41.0247 178.9958 116 H 4.4089 7.9550 117.5574 59.4004 29.9569 177.1893 117 S 4.1878 8.0079 115.9979 61.5368 62.7664 176.3942 118 R 4.1179 7.7557 118.6843 57.3034 31.3166 176.4200 119 H 5.0075 8.0440 116.1080 53.8554 29.9789 172.9269 120 P 4.2719 0.0000 0.0000 65.8766 31.6416 179.1565 121 G 3.7434 8.1187 106.0483 47.2345 0.0000 173.5482 122 D 5.0463 8.0772 118.0835 54.0475 41.6436 176.1675 123 F 4.9919 8.0452 121.1076 56.3358 39.6494 174.6134 124 G 3.8601 7.9991 107.4223 44.2186 0.0000 172.9439 125 A 3.9110 8.4094 120.9774 54.9059 18.2389 179.4005 126 D 4.1974 8.0019 117.0211 56.8261 39.3493 178.7376 127 A 3.9964 7.7538 121.9279 54.4108 18.3740 179.4251 128 Q 3.1579 7.8698 117.3339 58.7464 28.6321 179.2695 129 G 3.4597 8.3115 106.9563 47.5882 0.0000 175.7004 130 A 3.8478 7.9454 123.2407 55.1026 18.3167 179.4416 131 M 4.0031 8.3915 117.1238 58.7071 32.2641 177.9417 132 N 4.3247 8.4885 117.6001 56.5898 39.0561 177.0317 133 K 3.9084 8.1733 119.8383 59.2849 32.0980 179.1878 134 A 3.8362 8.0850 121.2756 55.1986 18.2549 179.7648 135 L 4.1248 8.2976 117.7155 57.6616 41.6104 179.5642 136 E 3.9667 8.6141 119.2561 59.3513 29.3819 179.0493 137 L 3.9898 8.1448 120.4340 57.9852 42.0904 178.5318 138 F 4.0832 8.3408 120.6113 61.6692 39.2281 177.4224 139 R 3.5519 8.2714 117.5356 58.8312 29.8352 178.9927 140 K 3.8461 8.4002 119.9053 59.7308 31.7729 178.6832 141 D 4.3789 8.2522 119.1922 57.1715 40.6477 178.8695 142 I 3.5795 7.6528 120.4048 64.1657 36.9202 178.2947 143 A 3.6996 8.1685 121.8338 54.9105 18.1351 179.5569 144 A 3.9505 7.9227 119.3785 55.2192 18.4294 180.0754 145 K 4.0198 7.8553 116.5147 59.6966 32.1190 179.1379 146 Y 4.0781 8.5335 117.4847 60.9522 37.7777 178.7197 147 K 3.9696 8.5539 120.8118 59.4123 32.1269 178.0295 148 E 3.9234 7.9363 118.3766 59.6227 29.6038 178.3987 149 L 4.4726 7.7377 114.8187 54.6861 41.8636 177.3433 150 G 3.7745 8.1738 107.1388 46.5137 0.0000 173.8172 151 Y 4.6108 8.3810 113.8373 57.0606 39.4395 176.6763 152 Q 4.1298 8.2912 122.7500 57.6443 29.5506 176.0720 153 G 4.0394 8.2351 110.2891 45.6251 0.0000 172.9525 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 V 8.05 4.10 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 1.06 0.00 0.00 0.95 0.00 0.00 2 L 8.26 4.00 0.00 0.62 0.62 0.54 -0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.66 4.54 0.00 4.04 3.98 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 4 E 8.85 4.27 0.00 2.07 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 0.00 2.51 2.40 0.00 5 G 8.07 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 8.21 3.92 0.00 2.02 1.72 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 2.22 2.26 0.00 7 W 8.27 4.48 0.00 3.55 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 8 Q 8.65 4.08 0.00 2.29 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.48 0.00 9 L 7.96 4.05 0.00 1.97 1.75 0.94 0.71 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 10 V 7.96 3.76 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 1.23 0.00 0.00 0.88 0.00 0.00 11 L 8.53 4.35 0.00 1.86 1.81 0.93 1.29 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 12 H 8.43 4.23 0.00 3.30 3.57 0.00 5.95 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 13 V 7.92 3.76 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 1.03 0.00 0.00 0.83 0.00 0.00 14 W 8.68 3.92 0.00 3.64 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 15 A 8.00 4.04 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.69 3.90 0.00 1.38 1.54 0.00 1.61 0.00 0.00 1.45 0.00 0.00 2.71 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.47 1.44 7.81 17 V 6.96 3.01 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 0.00 0.00 -0.16 0.00 0.00 0.25 0.00 0.00 18 E 7.28 3.98 0.00 1.89 1.90 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 2.18 2.00 0.00 19 A 7.39 4.21 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 20 D 7.90 4.66 0.00 2.66 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 21 V 7.93 3.38 2.04 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 1.04 0.00 0.00 0.84 0.00 0.00 22 A 8.00 4.06 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 23 G 8.43 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 24 H 8.24 4.15 0.00 3.27 3.22 0.00 5.82 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 8.25 3.55 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 0.00 0.00 0.00 26 Q 8.12 3.87 0.00 2.21 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.75 0.00 0.00 0.00 0.00 0.00 2.30 2.48 0.00 27 D 7.98 4.28 0.00 2.74 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 28 I 7.90 3.65 1.87 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 1.51 0.61 0.88 0.00 0.00 29 L 7.75 3.41 0.00 1.22 0.64 0.68 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.55 3.57 1.84 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.60 0.88 0.00 0.00 31 R 7.90 3.79 0.00 1.93 2.00 0.00 3.06 0.00 0.00 2.99 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 32 L 7.90 3.95 0.00 1.81 1.55 1.10 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.20 4.56 0.00 3.16 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 8.21 4.05 0.00 1.75 1.84 0.00 1.69 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.68 7.81 35 S 8.14 4.36 0.00 3.70 3.57 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 0.00 0.00 0.00 36 H 8.08 4.64 0.00 3.07 2.77 0.00 5.62 0.00 0.00 0.00 0.00 6.82 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 4.49 0.00 2.14 2.08 0.00 3.81 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.97 0.00 38 E 8.25 4.04 0.00 2.28 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 0.00 1.95 2.36 0.00 39 T 8.24 4.02 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 1.05 0.00 0.00 40 L 7.80 3.58 0.00 1.22 1.69 -0.04 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.68 3.99 0.00 2.16 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 0.00 2.38 2.45 0.00 42 K 8.01 4.47 0.00 1.95 1.74 0.00 1.85 0.00 0.00 1.77 0.00 0.00 3.18 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.73 1.93 7.81 43 F 8.25 4.68 0.00 3.16 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 44 D 8.61 4.43 0.00 2.64 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 45 R 7.91 3.84 0.00 1.49 1.17 0.00 2.98 0.00 0.00 2.83 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 1.30 0.00 46 F 8.09 5.03 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 47 K 8.11 4.19 0.00 1.86 2.21 0.00 1.59 0.00 0.00 1.79 0.00 0.00 3.22 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.45 7.81 48 H 8.06 4.37 0.00 3.31 3.49 0.00 5.52 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.68 4.18 0.00 1.60 1.59 0.96 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.40 4.54 0.00 1.75 1.79 0.00 1.65 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.47 7.81 51 T 7.52 4.74 4.23 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 0.00 0.00 1.21 0.00 0.00 52 E 8.70 3.91 0.00 2.04 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 2.36 2.36 0.00 53 A 7.94 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 54 E 8.13 3.94 0.00 2.12 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 2.35 0.00 55 M 8.12 4.19 0.00 2.07 2.28 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 2.81 2.62 0.00 56 K 8.24 4.03 0.00 1.84 1.85 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.09 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.55 7.81 57 A 7.66 4.40 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 7.53 4.38 0.00 3.96 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 59 E 8.86 4.00 0.00 2.14 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 0.00 2.40 2.46 0.00 60 D 8.19 4.42 0.00 2.90 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 61 L 8.13 3.55 0.00 1.51 1.66 -0.16 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.98 3.88 0.00 1.88 1.97 0.00 1.67 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.45 7.81 63 K 8.32 3.99 0.00 2.21 1.94 0.00 1.77 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.50 7.81 64 H 8.71 4.45 0.00 3.60 3.48 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 8.38 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 66 V 7.71 3.59 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 1.13 0.00 0.00 0.98 0.00 0.00 67 T 7.92 3.88 4.37 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 1.26 0.00 0.00 68 V 7.91 3.59 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.97 0.00 0.00 69 L 8.23 4.26 0.00 1.80 1.92 0.86 0.89 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 70 T 8.39 3.99 4.45 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 1.25 0.00 0.00 71 A 8.02 4.01 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 3.76 0.00 1.59 1.57 0.27 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.57 3.30 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 0.00 74 A 7.79 4.01 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.56 3.79 1.90 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 1.55 0.67 0.95 0.00 0.00 76 L 7.99 3.99 0.00 1.16 1.58 -0.08 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.74 4.05 0.00 1.65 1.79 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.16 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.46 1.49 7.81 78 K 7.83 3.98 0.00 1.81 1.80 0.00 1.77 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.63 1.77 7.81 79 K 8.28 2.00 0.00 1.21 0.74 0.00 1.46 0.00 0.00 1.41 0.00 0.00 2.66 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.30 0.70 7.81 80 G 7.93 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 0.00 0.00 0.00 81 H 7.44 4.53 0.00 3.16 3.24 0.00 5.80 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 82 H 7.29 5.22 0.00 3.27 3.44 0.00 5.66 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 83 E 8.65 3.92 0.00 2.12 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 2.40 2.47 0.00 84 A 7.92 4.06 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 8.10 4.12 0.00 2.27 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 2.40 2.47 0.00 86 L 8.24 4.28 0.00 1.73 1.68 0.95 0.41 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 87 K 7.96 3.78 0.00 2.01 1.83 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.48 7.81 88 P 0.00 4.39 0.00 2.32 2.30 0.00 3.89 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.03 0.00 89 L 7.52 3.96 0.00 2.02 1.88 0.96 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.52 4.14 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 91 Q 8.30 3.79 0.00 2.20 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.56 0.00 92 S 8.29 4.00 0.00 3.89 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 93 H 8.69 4.11 0.00 3.48 3.57 0.00 5.81 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 8.04 3.07 -0.12 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 95 T 7.21 3.70 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 0.78 0.00 0.00 96 K 7.47 4.20 0.00 1.57 1.74 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.12 1.34 7.81 97 H 8.00 4.37 0.00 3.01 3.14 0.00 5.85 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 98 K 7.00 3.79 0.00 1.94 1.88 0.00 1.74 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.54 7.81 99 I 7.92 4.24 2.03 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.90 1.09 0.00 0.00 100 P 0.00 4.42 0.00 1.64 1.75 0.00 2.50 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 1.06 1.79 0.00 101 I 8.47 3.34 1.70 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.53 0.70 0.00 0.00 102 K 7.86 3.71 0.00 1.74 1.69 0.00 1.53 0.00 0.00 1.74 0.00 0.00 3.17 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 0.63 7.81 103 Y 8.05 4.13 0.00 3.07 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 0.00 104 L 7.88 4.20 0.00 1.82 1.81 0.64 0.94 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 0.00 105 E 7.92 3.97 0.00 1.95 1.90 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 2.44 2.43 0.00 106 F 7.83 4.48 0.00 3.27 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 I 8.17 3.87 2.02 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 1.57 1.60 1.10 0.00 0.00 108 S 8.33 4.21 0.00 4.18 3.98 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 0.00 109 E 8.53 4.08 0.00 2.28 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 0.00 2.68 2.61 0.00 110 A 8.19 4.04 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 0.00 111 I 8.21 3.70 2.09 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 1.60 0.73 1.05 0.00 0.00 112 I 7.95 3.86 2.01 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 1.69 1.00 1.19 0.00 0.00 113 H 8.45 4.14 0.00 3.36 3.48 0.00 5.59 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 0.00 114 V 7.97 3.58 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 0.88 0.00 0.00 0.98 0.00 0.00 115 L 8.02 3.79 0.00 1.14 0.33 0.86 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 116 H 7.95 4.41 0.00 3.58 3.59 0.00 5.96 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 8.01 4.19 0.00 3.92 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 0.00 118 R 7.76 4.12 0.00 1.51 1.51 0.00 2.73 0.00 0.00 2.71 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.46 0.00 119 H 8.04 5.01 0.00 3.19 3.18 0.00 5.63 0.00 0.00 0.00 0.00 6.76 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 2.19 2.23 0.00 3.66 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.93 0.00 121 G 8.12 3.74 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 0.00 0.00 0.00 122 D 8.08 5.05 0.00 2.76 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 0.00 123 F 8.05 4.99 0.00 3.03 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 8.00 3.86 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 0.00 125 A 8.41 3.91 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 8.00 4.20 0.00 2.87 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 0.00 127 A 7.75 4.00 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 0.00 128 Q 7.87 3.16 0.00 1.95 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 1.95 1.61 0.00 129 G 8.31 3.46 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 0.00 0.00 0.00 0.00 130 A 7.95 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 0.00 131 M 8.39 4.00 0.00 2.52 2.47 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.89 0.00 132 N 8.49 4.32 0.00 2.85 2.95 0.00 0.00 7.19 7.58 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 0.00 133 K 8.17 3.91 0.00 1.82 1.66 0.00 1.65 0.00 0.00 1.52 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.52 7.81 134 A 8.08 3.84 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 0.00 135 L 8.30 4.12 0.00 1.75 1.80 0.98 1.09 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 0.00 136 E 8.61 3.97 0.00 2.19 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.52 0.00 137 L 8.14 3.99 0.00 1.79 1.96 1.03 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.34 4.08 0.00 3.07 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 0.00 139 R 8.27 3.55 0.00 2.00 1.85 0.00 3.13 0.00 0.00 3.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.97 0.00 140 K 8.40 3.85 0.00 1.76 2.00 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.46 7.81 141 D 8.25 4.38 0.00 2.75 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 0.00 142 I 7.65 3.58 1.33 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 0.96 -0.10 0.49 0.00 0.00 143 A 8.17 3.70 1.23 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 0.00 0.00 0.00 0.00 0.00 144 A 7.92 3.95 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 0.00 145 K 7.86 4.02 0.00 2.04 1.91 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.64 7.81 146 Y 8.53 4.08 0.00 3.03 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 0.00 147 K 8.55 3.97 0.00 2.08 1.99 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.47 7.81 148 E 7.94 3.92 0.00 2.04 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 2.36 2.40 0.00 149 L 7.74 4.47 0.00 1.96 1.92 0.79 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 150 G 8.17 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 0.00 0.00 0.00 151 Y 8.38 4.61 0.00 2.62 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 Q 8.29 4.13 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.62 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 153 G 8.24 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