NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9536 8.3549 109.7405 45.3887 0.0000 175.9358 2 L 4.2725 8.5442 125.0891 51.2102 42.5516 175.3240 3 S 4.5156 9.8846 120.5034 57.9768 66.2162 174.9261 4 D 4.6925 8.7070 121.1377 57.2106 40.5330 179.1229 5 G 3.7018 8.0441 106.0340 47.2560 0.0000 175.7466 6 E 3.8246 8.0696 120.5880 59.0748 29.4257 179.0065 7 W 4.3230 7.8474 119.0171 60.1787 29.1051 178.4857 8 Q 4.1125 8.0708 117.0166 59.1919 28.2037 179.1063 9 L 4.0098 7.8749 119.6887 57.6378 41.6281 179.7419 10 V 3.6541 7.9595 118.2311 66.2505 31.3179 178.2366 11 L 4.2826 8.2696 117.4628 57.5281 41.8171 179.1096 12 N 4.5331 8.5060 117.0771 56.2947 38.5696 177.4151 13 V 3.5879 7.8538 119.5467 66.0119 31.7028 177.6429 14 W 4.1948 8.5200 128.0394 60.6168 30.0619 178.0448 15 G 3.6564 7.8293 104.4692 47.2637 0.0000 175.6453 16 K 3.9682 7.8922 120.9231 59.3107 32.0358 179.4988 17 V 2.7504 6.9330 117.8383 65.7392 31.1493 177.6758 18 E 3.9219 7.3902 116.0612 58.4021 29.3396 178.5106 19 A 4.2557 7.4274 119.9862 53.4092 19.7064 177.5307 20 D 4.6493 7.7822 116.7629 51.9149 42.3685 175.4467 21 V 3.5575 7.9447 123.5863 65.8423 32.1172 176.7981 22 A 4.0848 8.0871 119.9932 55.0276 18.1312 179.7464 23 G 3.4799 8.0046 105.2641 47.5376 0.0000 175.4895 24 H 4.0689 7.8756 118.9728 58.4858 28.8113 177.9657 25 G 3.6107 8.2758 107.6513 47.8951 0.0000 175.2974 26 Q 3.8029 8.5728 122.8659 58.8227 29.1151 178.0864 27 E 3.8464 8.0659 120.2374 58.9045 29.5417 178.8363 28 V 3.4431 7.7088 118.4638 65.8996 31.5897 177.7612 29 L 3.2983 7.4669 118.3151 57.6918 41.5645 179.3175 30 I 3.5641 7.3979 119.3068 64.7711 37.2388 178.5676 31 R 3.8530 8.2033 118.8446 59.0334 29.7438 178.7783 32 L 3.8989 7.7265 120.0036 58.4289 42.2126 179.2612 33 F 4.6503 7.7462 117.5638 60.2486 38.6067 177.5866 34 K 4.1405 7.8715 118.3060 58.9464 32.2251 178.6669 35 G 3.7050 7.7054 104.5133 46.2712 0.0000 173.7509 36 H 4.7663 8.2552 118.2413 51.7307 29.6422 171.8878 37 P 4.9265 0.0000 0.0000 64.9674 30.9159 178.2908 38 E 4.3279 8.5076 118.7410 59.0459 29.2994 179.0195 39 T 3.9790 8.0900 110.4518 64.1684 68.7114 176.3248 40 L 3.4237 7.9964 123.8423 57.9325 41.9946 178.4326 41 E 4.0708 7.9159 117.2951 59.5493 29.2173 179.2050 42 K 4.5068 7.9151 116.6142 56.9240 32.5141 177.3888 43 F 4.5961 8.4635 119.7052 55.5230 40.2015 175.7261 44 D 4.3593 8.5081 124.9049 57.4109 40.5885 178.7420 45 R 3.7657 7.9079 117.4649 58.5668 30.1860 176.4944 46 F 5.0035 8.0275 113.8399 56.5705 40.4841 176.7097 47 K 4.0713 8.0028 121.3258 59.4601 32.4606 178.0824 48 H 4.2068 8.2431 114.7115 58.1199 28.5119 175.3529 49 L 4.1921 7.5513 120.3970 54.8226 40.9707 176.8065 50 K 4.4364 9.1981 123.9162 56.5155 33.1052 177.1754 51 S 4.6513 7.4056 113.2356 55.5683 67.0974 174.1494 52 E 3.8510 8.8194 123.4428 59.6834 29.2105 178.4958 53 D 4.3105 8.1274 117.2463 57.6996 41.3023 178.1289 54 E 4.0072 7.7796 117.9530 59.6350 29.1998 179.1912 55 M 4.0443 8.5205 118.8634 58.5173 32.1123 178.7517 56 K 4.0862 8.3039 117.6170 59.1893 32.2642 179.0489 57 A 4.3620 8.2812 120.8591 53.6111 18.7609 177.5752 58 S 4.1430 7.8003 111.6604 58.6005 63.0427 174.4974 59 E 4.1193 8.7648 129.5460 59.5220 29.4125 178.3826 60 D 4.6088 8.1653 118.8842 56.3763 41.0474 178.2392 61 L 3.3979 8.3191 121.6813 57.4697 41.9454 178.8999 62 K 3.8452 7.6484 118.4090 59.4529 32.0044 178.7400 63 K 3.9744 8.0056 119.7957 59.6754 32.0389 178.2932 64 H 4.4456 8.3520 118.5186 59.3754 30.0824 177.4524 65 G 3.6242 8.3460 107.9354 47.6302 0.0000 174.8478 66 N 4.2822 8.1950 119.2532 56.9801 38.9072 176.9943 67 T 3.8727 7.5843 116.5569 66.8532 68.6125 176.3670 68 V 3.5767 8.0943 120.3583 66.5265 31.5316 178.0802 69 L 4.2689 8.1207 118.0430 57.8984 41.4688 179.5419 70 T 4.0240 8.3960 116.0615 66.6054 68.1625 176.4010 71 A 4.0350 7.9434 122.2597 54.8783 18.5313 179.3080 72 L 3.7612 8.0662 119.0350 58.0697 42.0801 179.1062 73 G 3.3624 8.0423 105.7904 47.9267 0.0000 175.7152 74 G 3.6319 7.4834 107.0373 47.4324 0.0000 175.5033 75 I 3.9304 7.4048 122.0296 63.8874 37.1773 178.4098 76 L 4.0239 7.7678 119.9751 57.7370 41.1765 179.4972 77 K 3.8284 7.5231 117.1653 59.5129 32.3588 179.0796 78 K 3.8566 7.6523 117.3318 56.6138 32.3356 176.7836 79 K 2.0000 8.5813 118.7086 56.2030 29.8045 175.8716 80 G 3.8799 7.8512 105.6317 45.5672 0.0000 173.4227 81 H 5.3514 7.4710 116.1034 55.4133 29.2392 174.8444 82 H 5.5956 7.5861 111.4113 54.7239 29.3786 175.6877 83 E 3.9173 8.4880 121.5683 60.0817 28.9930 179.2298 84 A 4.0039 7.8451 118.3882 55.3230 18.0776 179.1047 85 E 4.0745 8.0895 116.7059 59.4344 29.6614 179.0960 86 L 4.1936 8.5454 120.6006 57.7948 42.1226 178.9806 87 T 3.8781 8.1300 116.7806 66.1555 68.4526 174.6945 88 P 4.5079 0.0000 0.0000 65.6262 31.3155 178.1960 89 L 4.0873 7.5449 117.0020 57.8486 41.9776 178.6934 90 A 4.1713 8.0951 120.9744 55.0624 18.2719 179.6512 91 Q 3.9348 8.1677 116.8706 59.0828 28.7811 179.1580 92 S 3.9734 8.1119 115.0799 62.0394 62.7993 176.3106 93 H 3.6750 8.8787 120.3062 57.5380 26.8438 177.4566 94 A 2.7549 7.9958 122.7700 53.6440 18.7735 178.9103 95 T 4.0412 7.7792 106.2066 62.3116 69.7099 175.0051 96 K 4.1249 7.4871 120.7596 58.3676 33.5660 176.9512 97 H 4.1765 8.5504 117.6521 56.5927 29.4638 175.8349 98 K 3.2241 6.6664 116.0037 57.0481 29.5196 175.8688 99 I 4.3119 8.6254 119.4213 59.0622 38.4129 175.2118 100 P 4.5800 0.0000 0.0000 62.6230 31.9153 177.6065 101 V 3.7100 8.5924 119.2212 65.9385 31.4994 178.5123 102 K 3.7331 7.8838 117.8122 59.7598 32.1468 178.4133 103 Y 4.3418 7.6919 117.9251 60.7713 37.8479 177.8545 104 L 4.2007 8.2054 120.3799 57.9333 41.6840 179.3067 105 E 4.0747 7.9965 118.0323 59.3557 29.4063 179.2050 106 F 4.6644 7.8132 117.4037 60.9007 38.9391 177.5606 107 I 3.8937 7.9456 117.6626 63.7337 37.7677 178.0114 108 S 4.1560 8.0698 115.8109 61.7052 62.6813 176.2919 109 E 3.9904 8.6302 121.8378 59.1281 29.4169 178.3708 110 A 4.2308 8.1169 122.2436 54.6498 18.3378 179.5504 111 I 3.6315 8.0678 118.2969 64.5940 37.1301 178.6049 112 I 3.7327 7.8900 120.3740 64.6218 36.5199 178.3199 113 Q 3.9988 8.2662 118.9238 59.2345 28.5069 179.5116 114 V 3.5699 7.7894 118.9901 65.7157 31.4895 178.1369 115 L 3.6729 7.8398 118.9191 57.5475 41.1233 179.0189 116 Q 4.1226 7.8018 118.5159 59.4378 29.0429 178.5307 117 S 4.2061 7.7546 114.3808 61.6145 63.0728 176.4639 118 K 4.1536 7.8646 118.6876 57.4535 33.2196 176.7173 119 H 5.0544 8.1959 116.6791 53.6806 29.3600 172.9260 120 P 4.3623 0.0000 0.0000 65.9590 31.6944 179.2372 121 G 3.6125 8.2342 106.7802 48.2278 0.0000 173.8316 122 D 4.7111 7.9595 117.2251 54.3560 41.7043 176.6223 123 F 4.8382 7.7487 120.6131 55.8871 39.1869 174.4470 124 G 3.9624 7.5648 110.7809 42.8425 0.0000 170.2630 125 A 3.8970 8.4764 120.6261 55.6239 18.2045 179.8001 126 D 4.1368 7.8816 116.0985 57.4584 41.0524 178.6440 127 A 3.8897 7.6913 120.6211 55.1419 18.4270 179.2842 128 Q 3.2549 7.7199 117.0019 59.0455 28.9044 179.7643 129 G 3.5166 7.9853 106.1771 47.3656 0.0000 175.7686 130 A 3.7913 7.7567 122.7525 55.1275 18.4068 179.1469 131 M 3.9600 8.0500 116.8594 59.1430 32.3553 178.4591 132 S 4.1234 8.0282 113.0417 61.2397 62.5581 176.1554 133 K 3.9213 7.9466 120.7910 59.3744 31.8329 179.1875 134 A 3.8348 7.9698 121.0442 54.9954 18.2400 179.7672 135 L 4.0472 8.1996 117.7508 57.9287 41.7555 179.2839 136 E 4.0043 8.3931 119.2924 58.9851 29.4600 178.6017 137 L 3.9171 7.9072 120.2269 57.9291 42.2702 178.2087 138 F 4.0529 8.2318 120.3403 61.6518 39.1932 177.4408 139 R 3.5684 8.2214 117.3111 59.2323 29.8965 178.7381 140 N 4.3377 8.1131 115.7743 55.1469 37.5768 176.8970 141 D 4.3217 8.1184 122.0184 57.2180 40.8400 178.4116 142 M 3.5896 7.8821 119.4717 58.2378 31.4086 178.4198 143 A 3.7650 7.8037 120.7861 55.2449 18.2703 179.4858 144 A 4.0106 7.7165 118.7866 54.6972 18.6221 179.8035 145 K 3.9368 7.7170 117.7948 59.6299 32.3413 178.2641 146 Y 4.5411 8.3165 117.5940 61.5130 37.9202 178.6841 147 K 3.8629 7.8664 119.2454 59.9099 32.0424 178.3667 148 E 4.0493 7.8576 118.0821 58.7267 29.6733 177.8504 149 L 4.3888 7.9138 116.9299 54.4354 41.9871 177.4746 150 G 3.8980 7.6746 106.4948 45.9742 0.0000 173.6178 151 F 4.3137 9.0110 121.8556 58.1275 39.9192 176.5005 152 Q 2.8539 7.0078 121.7552 55.7249 27.3202 176.3798 153 G 3.6457 8.3139 110.8611 45.3826 0.0000 172.5463 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 G 8.35 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 2 L 8.54 4.27 0.00 1.05 0.76 0.68 -0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.88 4.52 0.00 4.02 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 D 8.71 4.69 0.00 2.85 2.84 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 5 G 8.04 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 6 E 8.07 3.82 0.00 1.78 1.74 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 2.22 2.26 0.00 7 W 7.85 4.32 0.00 3.64 3.37 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 8 Q 8.07 4.11 0.00 2.42 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.80 0.00 0.00 0.00 0.00 0.00 2.44 2.52 0.00 9 L 7.87 4.01 0.00 1.83 1.71 0.89 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.96 3.65 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 1.17 0.00 0.00 0.80 0.00 0.00 11 L 8.27 4.28 0.00 1.77 1.85 0.97 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.51 4.53 0.00 2.94 2.91 0.00 0.00 6.52 8.25 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 13 V 7.85 3.59 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 1.04 0.00 0.00 1.21 0.00 0.00 14 W 8.52 4.19 0.00 3.62 3.29 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 15 G 7.83 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 16 K 7.89 3.97 0.00 1.86 1.43 0.00 1.57 0.00 0.00 1.49 0.00 0.00 2.85 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.26 7.81 17 V 6.93 2.75 0.67 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 -0.12 0.00 0.00 0.18 0.00 0.00 18 E 7.39 3.92 0.00 2.07 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 2.42 2.43 0.00 19 A 7.43 4.26 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 20 D 7.78 4.65 0.00 2.70 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 7.94 3.56 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 1.12 0.00 0.00 0.91 0.00 0.00 22 A 8.09 4.08 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 8.00 3.48 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 0.00 24 H 7.88 4.07 0.00 3.31 3.21 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 8.28 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 26 Q 8.57 3.80 0.00 2.01 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.75 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 27 E 8.07 3.85 0.00 2.02 1.81 0.00 0.00 0.00 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 2.26 0.00 28 V 7.71 3.44 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 0.89 0.00 0.00 0.91 0.00 0.00 29 L 7.47 3.30 0.00 1.58 1.08 0.75 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.40 3.56 1.76 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.05 0.90 0.00 0.00 31 R 8.20 3.85 0.00 1.88 1.91 0.00 3.22 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.71 0.00 32 L 7.73 3.90 0.00 1.65 1.33 0.85 0.97 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 33 F 7.75 4.65 0.00 3.09 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 34 K 7.87 4.14 0.00 1.96 1.83 0.00 1.76 0.00 0.00 1.77 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.43 7.81 35 G 7.71 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 36 H 8.26 4.77 0.00 3.14 2.88 0.00 5.64 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.93 0.00 2.25 2.31 0.00 3.80 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 2.07 1.87 0.00 38 E 8.51 4.33 0.00 2.32 2.35 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 2.35 2.45 0.00 39 T 8.09 3.98 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 0.97 0.00 0.00 40 L 8.00 3.42 0.00 1.36 1.71 0.07 0.48 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 41 E 7.92 4.07 0.00 2.46 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 2.38 2.40 0.00 42 K 7.92 4.51 0.00 1.86 1.75 0.00 1.96 0.00 0.00 1.79 0.00 0.00 3.06 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.70 2.02 7.81 43 F 8.46 4.60 0.00 3.18 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 44 D 8.51 4.36 0.00 2.63 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 7.91 3.77 0.00 1.49 1.46 0.00 2.92 0.00 0.00 2.30 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 1.35 0.00 46 F 8.03 5.00 0.00 2.98 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 47 K 8.00 4.07 0.00 1.89 1.95 0.00 1.62 0.00 0.00 1.76 0.00 0.00 3.11 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.76 1.43 7.81 48 H 8.24 4.21 0.00 3.30 3.49 0.00 5.53 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 49 L 7.55 4.19 0.00 1.64 1.63 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.20 4.44 0.00 1.70 1.83 0.00 1.71 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.55 1.50 7.81 51 S 7.41 4.65 0.00 3.98 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 52 E 8.82 3.85 0.00 2.03 1.99 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 2.36 2.36 0.00 53 D 8.13 4.31 0.00 2.81 2.65 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 54 E 7.78 4.01 0.00 2.35 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 2.35 2.36 0.00 55 M 8.52 4.04 0.00 1.90 2.24 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.63 0.00 56 K 8.30 4.09 0.00 1.75 1.84 0.00 1.75 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.66 7.81 57 A 8.28 4.36 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 58 S 7.80 4.14 0.00 4.00 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 59 E 8.76 4.12 0.00 2.27 2.22 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 2.38 2.43 0.00 60 D 8.17 4.61 0.00 2.93 3.01 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 0.00 0.00 0.00 61 L 8.32 3.40 0.00 1.38 1.48 0.72 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.65 3.85 0.00 1.90 1.90 0.00 1.69 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.41 7.81 63 K 8.01 3.97 0.00 1.95 1.88 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.57 1.54 7.81 64 H 8.35 4.45 0.00 3.65 3.44 0.00 5.84 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 8.35 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 66 N 8.19 4.28 0.00 2.99 3.02 0.00 0.00 7.19 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 67 T 7.58 3.87 4.40 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 1.29 0.00 0.00 68 V 8.09 3.58 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 1.07 0.00 0.00 0.97 0.00 0.00 69 L 8.12 4.27 0.00 1.84 1.86 0.85 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.40 4.02 4.30 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 1.26 0.00 0.00 71 A 7.94 4.03 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 8.07 3.76 0.00 1.59 1.63 0.18 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.04 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 0.00 0.00 0.00 74 G 7.48 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 75 I 7.40 3.93 1.95 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.77 0.96 0.00 0.00 76 L 7.77 4.02 0.00 1.28 1.48 0.18 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.52 3.83 0.00 1.71 1.83 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.21 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.56 7.81 78 K 7.65 3.86 0.00 1.86 1.81 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.43 1.78 7.81 79 K 8.58 2.00 0.00 0.92 0.74 0.00 1.49 0.00 0.00 1.28 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.87 0.98 7.81 80 G 7.85 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 81 H 7.47 5.35 0.00 3.21 3.19 0.00 5.58 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 82 H 7.59 5.60 0.00 3.28 3.59 0.00 5.68 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.49 3.92 0.00 2.09 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 2.42 2.50 0.00 84 A 7.85 4.00 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 85 E 8.09 4.07 0.00 2.09 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 2.39 2.43 0.00 86 L 8.55 4.19 0.00 1.74 1.70 0.66 0.79 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 87 T 8.13 3.88 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 1.23 0.00 0.00 88 P 0.00 4.51 0.00 2.30 2.34 0.00 3.68 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.04 0.00 89 L 7.54 4.09 0.00 1.78 1.75 1.03 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.10 4.17 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 8.17 3.93 0.00 2.36 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.76 0.00 0.00 0.00 0.00 0.00 2.40 2.55 0.00 92 S 8.11 3.97 0.00 4.05 4.15 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 0.00 0.00 0.00 93 H 8.88 3.67 0.00 3.63 3.70 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 8.00 2.75 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.78 4.04 4.11 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 1.13 0.00 0.00 96 K 7.49 4.12 0.00 1.55 1.59 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.07 1.28 7.81 97 H 8.55 4.18 0.00 3.00 3.14 0.00 5.86 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 6.67 3.22 0.00 1.68 1.74 0.00 1.18 0.00 0.00 1.37 0.00 0.00 2.87 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.25 1.21 7.81 99 I 8.63 4.31 2.16 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 0.95 1.24 0.00 0.00 100 P 0.00 4.58 0.00 1.83 1.89 0.00 3.45 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 0.49 1.00 0.00 101 V 8.59 3.71 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 1.03 0.00 0.00 1.09 0.00 0.00 102 K 7.88 3.73 0.00 1.28 1.84 0.00 1.57 0.00 0.00 1.80 0.00 0.00 2.98 0.00 0.00 3.35 0.00 0.00 0.00 0.00 1.33 1.30 7.81 103 Y 7.69 4.34 0.00 3.34 3.17 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 0.00 104 L 8.21 4.20 0.00 1.92 1.85 0.76 1.12 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 0.00 105 E 8.00 4.07 0.00 2.02 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 2.41 2.35 0.00 106 F 7.81 4.66 0.00 3.23 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 0.00 107 I 7.95 3.89 2.03 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 1.56 1.65 1.14 0.00 0.00 108 S 8.07 4.16 0.00 4.21 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 8.63 3.99 0.00 2.12 2.22 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 2.38 2.39 0.00 110 A 8.12 4.23 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 I 8.07 3.63 2.01 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.63 0.99 0.00 0.00 112 I 7.89 3.73 1.97 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.11 1.17 0.00 0.00 113 Q 8.27 4.00 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 114 V 7.79 3.57 1.99 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 1.01 0.00 0.00 0.87 0.00 0.00 115 L 7.84 3.67 0.00 1.22 0.24 0.67 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 116 Q 7.80 4.12 0.00 2.25 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.95 0.00 0.00 0.00 0.00 0.00 2.46 2.51 0.00 117 S 7.75 4.21 0.00 4.03 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 0.00 118 K 7.86 4.15 0.00 1.26 1.49 0.00 1.44 0.00 0.00 1.43 0.00 0.00 2.83 0.00 0.00 2.48 0.00 0.00 0.00 0.00 1.26 1.41 7.81 119 H 8.20 5.05 0.00 3.19 3.18 0.00 5.63 0.00 0.00 0.00 0.00 6.75 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 4.36 0.00 2.24 2.36 0.00 3.70 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.98 0.00 121 G 8.23 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 0.00 122 D 7.96 4.71 0.00 2.86 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 F 7.75 4.84 0.00 3.03 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 0.00 124 G 7.56 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 0.00 125 A 8.48 3.90 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 0.00 126 D 7.88 4.14 0.00 2.70 2.65 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 0.00 127 A 7.69 3.89 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 0.00 128 Q 7.72 3.25 0.00 1.90 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 1.81 1.50 0.00 129 G 7.99 3.52 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 0.00 0.00 0.00 130 A 7.76 3.79 1.24 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 0.00 131 M 8.05 3.96 0.00 2.35 2.41 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.91 0.00 132 S 8.03 4.12 0.00 3.99 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 K 7.95 3.92 0.00 2.04 1.66 0.00 1.57 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.46 7.81 134 A 7.97 3.83 1.16 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 0.00 0.00 135 L 8.20 4.05 0.00 1.75 1.80 0.98 0.65 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 0.00 136 E 8.39 4.00 0.00 2.06 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 2.31 2.33 0.00 137 L 7.91 3.92 0.00 1.86 1.88 0.99 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.23 4.05 0.00 3.23 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 8.22 3.57 0.00 1.90 1.90 0.00 3.19 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.04 0.00 140 N 8.11 4.34 0.00 2.96 3.02 0.00 0.00 7.10 8.22 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 0.00 141 D 8.12 4.32 0.00 2.75 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 M 7.88 3.59 0.00 1.15 1.41 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 1.66 1.51 0.00 143 A 7.80 3.77 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 0.00 144 A 7.72 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 0.00 145 K 7.72 3.94 0.00 1.99 1.85 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.49 7.81 146 Y 8.32 4.54 0.00 3.21 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 0.00 147 K 7.87 3.86 0.00 1.89 2.12 0.00 1.52 0.00 0.00 1.57 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.53 7.81 148 E 7.86 4.05 0.00 1.98 2.29 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 2.35 2.36 0.00 149 L 7.91 4.39 0.00 2.11 1.75 0.97 0.77 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 0.00 150 G 7.67 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 0.00 0.00 0.00 151 F 9.01 4.31 0.00 2.65 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 0.00 152 Q 7.01 2.85 0.00 1.84 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.64 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 153 G 8.31 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