NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 S 4.4556 8.1814 115.4146 57.7560 64.7316 174.3814 18 G 3.4184 8.6063 106.5542 47.1376 0.0000 174.0521 19 L 3.9444 8.6718 124.2808 57.8117 42.5770 177.1414 20 E 3.9353 8.2072 118.5794 59.2681 29.3656 178.8531 21 D 4.2510 8.2903 118.4570 57.3402 41.3501 178.5314 22 K 3.9928 8.2486 119.2265 59.3644 31.9924 179.6333 23 V 3.5681 8.0222 119.0699 65.8644 31.3572 178.2965 24 S 3.7538 8.0846 114.1302 61.2600 62.7498 176.6977 25 K 3.9912 8.1295 122.1613 58.9929 31.3332 179.1344 26 Q 3.9316 8.1110 119.9562 59.1698 29.0239 178.3380 27 L 4.0396 7.9740 119.9664 57.9707 41.7062 179.3726 28 E 4.1168 8.6470 119.0456 59.4759 29.1849 179.6166 29 S 4.3017 8.4140 115.8308 61.1587 63.1028 176.2773 30 K 4.4884 7.5155 124.6482 55.5247 31.7837 180.9876 31 G 4.1218 7.8586 106.2983 47.4653 0.0000 173.9109 32 I 3.9427 7.8454 121.0995 60.0773 37.4143 175.9442 33 K 4.1121 8.6984 127.8105 55.6246 31.5680 175.5267 34 F 5.1194 7.9623 120.6095 54.8726 40.7183 174.2488 35 E 4.6886 8.9314 120.2282 54.6918 31.4758 174.9843 36 Y 4.7488 8.8641 124.6854 56.9624 40.0355 174.8881 37 E 3.6085 8.3038 127.7576 57.3157 27.2255 175.2059 38 E 4.1026 8.2136 118.2138 56.4278 30.5888 175.5178 39 W 4.8832 7.9047 117.0653 54.7168 32.5031 174.3957 40 K 4.5913 8.7960 121.0315 54.5365 33.7747 175.7640 41 V 4.3478 8.2995 122.9679 60.4677 32.6613 173.4765 42 P 4.6311 0.0000 0.0000 62.5763 32.0270 175.0615 43 Y 4.8957 7.8735 118.3011 55.9007 40.8187 173.9072 44 V 4.2126 8.2871 119.6171 60.9701 33.8562 174.7175 45 I 4.3149 8.1203 127.8045 59.2531 37.7611 174.0654 46 P 4.3202 0.0000 0.0000 62.1966 31.8314 176.2800 47 A 4.2144 8.4287 124.0654 52.4696 18.9475 177.2260 48 S 4.7324 8.2710 113.7074 56.4480 66.0693 173.1282 49 N 4.8478 8.5064 119.8027 52.2772 39.7843 174.0312 50 H 5.0019 8.4262 118.5821 54.5998 33.2636 172.2066 51 T 4.7720 8.2258 108.7848 60.2026 71.6587 172.5014 52 Y 4.7509 8.3817 122.9434 56.1372 41.2788 174.5078 53 T 4.1855 8.0224 123.6584 60.7157 68.9995 172.3055 54 P 4.3557 0.0000 0.0000 61.5971 32.1818 176.9505 55 D 4.2557 8.3516 121.8742 56.9349 41.0516 177.1069 56 F 4.9276 8.7553 117.2392 55.3070 42.3255 173.9798 57 L 4.7255 8.4482 124.2458 53.1894 44.1901 176.2368 58 L 4.5063 8.5072 126.4953 53.0071 42.8755 176.0792 59 P 4.2168 0.0000 0.0000 65.7854 31.4782 177.2524 60 N 4.5661 8.1115 113.4270 52.9847 37.3694 176.3370 61 G 3.8506 8.3022 107.8111 45.1094 0.0000 173.6163 62 I 4.1367 7.5726 121.7183 60.4987 38.5436 175.0329 63 F 5.0505 9.2545 126.6317 56.5459 40.9501 174.9949 64 V 4.9559 9.4270 122.7751 61.1875 34.6841 173.5392 65 E 5.1666 9.4565 129.8795 54.9324 31.1846 174.6659 66 T 4.8283 9.2461 118.6107 60.9911 70.5591 174.3503 67 K 4.2475 9.1847 125.8762 56.6844 35.7114 174.1991 68 G 3.8477 9.2589 116.5103 45.9929 0.0000 175.0603 69 L 4.3670 9.1248 118.8395 54.6185 43.4835 175.5008 70 W 4.9000 8.9500 135.0000 54.6898 31.1212 175.1645 71 E 4.1864 8.2702 124.3171 55.1806 31.1225 177.1198 72 S 3.7879 8.4356 114.5701 62.0285 62.3197 176.3068 73 D 4.2169 7.8787 120.6900 57.1606 40.5317 178.1617 74 D 4.2663 7.7504 118.2915 57.2381 41.4500 178.3416 75 R 3.1312 7.2797 118.5434 58.8724 29.8056 179.1862 76 K 3.9482 7.9769 118.4824 59.1687 31.8952 179.2812 77 K 3.8153 8.0358 119.9106 59.9020 32.1201 178.5889 78 H 3.9424 8.2015 116.4111 58.7826 28.5828 177.8653 79 L 4.0771 7.9332 120.4465 57.6559 41.4467 179.4386 80 L 4.1594 8.1209 119.1222 57.8896 41.4977 179.6588 81 I 3.7950 8.0238 119.9986 64.4674 36.8041 178.7247 82 R 4.0075 7.8616 117.9421 59.1984 29.9163 178.7663 83 E 4.1145 8.0185 117.6546 59.4842 29.6594 178.9408 84 Q 4.2304 8.3879 116.4257 57.1573 30.5541 175.9972 85 H 5.3248 8.7289 116.5460 52.4151 29.1026 172.5010 86 P 4.4408 0.0000 0.0000 64.6644 32.1245 178.0414 87 E 4.1630 8.1258 116.6736 57.4841 30.2326 176.2503 88 L 4.6746 7.5946 119.8109 53.6454 43.2691 175.8521 89 D 4.8275 8.5769 120.9336 52.7191 42.6957 173.8233 90 I 5.0731 8.2778 125.6011 59.4687 39.5181 175.2074 91 R 4.8702 9.1477 125.4124 54.3081 34.5517 174.5024 92 I 4.9032 8.6685 120.0379 59.5474 41.1222 174.9543 93 V 4.7215 8.6709 126.7429 61.3509 33.4759 174.6192 94 F 5.8137 8.9044 126.9645 55.7512 40.6357 177.4491 95 S 4.2930 8.9627 117.4449 61.6084 63.7382 174.8139 96 S 4.7350 7.9941 114.9949 57.3278 64.4814 174.2870 97 S 3.8716 9.5953 123.0208 59.3585 63.2189 175.9429 98 R 4.0338 7.4922 119.4680 57.9232 30.4575 177.1872 99 T 3.5881 6.9235 114.9620 63.5339 68.8148 173.8893 100 K 4.4196 7.9660 124.5678 55.7317 32.9563 177.0976 101 L 4.2706 8.2327 122.9466 58.1802 41.8847 177.1899 102 Y 4.6367 6.8186 113.1044 55.3420 40.1142 172.9985 103 K 3.9073 8.8617 121.9166 59.2363 32.0858 176.7288 104 G 4.0248 8.9490 115.2926 45.1481 0.0000 173.1363 105 S 4.0659 7.6247 115.0250 57.3262 62.6811 172.1672 106 P 4.4377 0.0000 0.0000 63.8436 32.0960 175.9408 107 T 4.5053 7.6117 117.9261 62.5941 69.6690 174.6462 108 S 4.9047 8.7374 121.4537 57.0757 66.1539 175.0754 109 Y 4.5216 8.3070 120.5801 61.3670 37.4066 179.3821 110 G 2.7155 8.0171 106.8044 47.6777 0.0000 175.5833 111 E 4.2962 8.0868 122.3701 58.3760 29.4699 179.2812 112 F 4.1388 8.3897 120.8854 61.4960 39.4464 176.9307 113 C 4.3827 8.5948 116.4924 63.0837 27.6006 176.0138 114 E 4.1116 8.5555 120.2455 59.3982 28.8468 179.3609 115 K 3.9643 8.0310 118.6275 59.0773 32.3046 177.5829 116 H 4.6746 7.7730 113.3900 54.8714 29.0057 175.7218 117 G 3.9142 7.6713 108.8516 45.8067 0.0000 173.3442 118 I 4.2848 7.9080 120.9028 60.1879 38.0585 176.0920 119 K 4.5610 8.7259 127.1269 56.3699 33.2547 176.0186 120 F 5.8691 8.6401 117.8100 56.1537 41.7494 172.4006 121 A 4.5655 9.2370 119.9269 51.3162 23.1237 174.4190 122 D 5.2604 8.2584 117.7016 54.0375 43.1407 176.7561 123 K 4.3315 9.6977 128.4708 56.8708 31.4668 176.1281 124 L 4.7620 7.1438 114.0811 52.4136 45.6977 175.9650 125 I 3.5595 7.8958 121.2171 60.1345 37.7694 174.7503 126 P 3.8892 0.0000 0.0000 62.4654 31.6480 177.2296 127 A 3.9799 8.5439 124.3881 55.4006 18.0015 179.7398 128 E 3.9974 7.9906 115.8876 59.2030 29.8281 179.1104 129 W 4.8391 7.9847 120.6262 59.4645 28.9173 178.5464 130 I 3.8110 7.8886 118.1559 64.2528 36.6537 177.8391 131 K 4.1993 7.6600 117.1992 56.7899 32.5879 177.4308 132 E 4.1150 7.6643 120.5421 55.2395 30.0441 174.7304 133 P 4.2834 0.0000 0.0000 62.6471 31.7482 175.9984 134 K 4.3250 8.6117 123.0468 56.9472 32.7131 175.7541 135 K 4.7207 8.6315 125.1700 54.7429 35.4351 175.9096 136 E 4.1075 8.8957 122.9086 56.5634 30.1917 176.3789 137 V 3.9779 8.0903 124.0135 60.6698 32.9843 175.2162 138 P 4.5891 0.0000 0.0000 61.6443 29.5022 176.5602 139 F 4.2704 7.9903 124.8851 61.3487 39.4853 177.5123 140 D 4.5062 8.1867 118.9567 56.6756 40.7288 177.2715 141 R 4.2243 8.1458 117.1412 56.8444 30.4965 175.9743 142 L 4.6770 7.8288 119.7787 53.2530 44.2837 176.2296 143 K 4.6036 8.1609 120.5034 52.4286 34.3871 175.3672 144 R 4.1580 8.5584 124.8967 54.6247 30.8345 176.2975 145 K 4.0981 8.6157 121.6888 57.3766 32.3536 176.5892 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 17 S 8.18 4.46 0.00 4.03 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 18 G 8.61 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.67 3.94 0.00 1.76 1.67 0.91 0.96 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 20 E 8.21 3.94 0.00 2.32 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 2.43 2.36 0.00 21 D 8.29 4.25 0.00 2.81 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 22 K 8.25 3.99 0.00 1.81 1.82 0.00 1.70 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.58 7.81 23 V 8.02 3.57 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 0.91 0.00 0.00 0.94 0.00 0.00 24 S 8.08 3.75 0.00 4.14 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 25 K 8.13 3.99 0.00 1.96 1.90 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.46 1.65 7.81 26 Q 8.11 3.93 0.00 2.11 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 27 L 7.97 4.04 0.00 1.82 1.86 0.38 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.65 4.12 0.00 2.24 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 2.46 2.77 0.00 29 S 8.41 4.30 0.00 4.03 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 0.00 30 K 7.52 4.49 0.00 1.88 1.73 0.00 1.93 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.31 7.81 31 G 7.86 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 I 7.85 3.94 2.01 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 1.24 0.90 1.02 0.00 0.00 33 K 8.70 4.11 0.00 1.71 1.76 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.34 7.81 34 F 7.96 5.12 0.00 3.20 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.93 4.69 0.00 2.19 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 2.31 2.40 0.00 36 Y 8.86 4.75 0.00 3.23 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 E 8.30 3.61 0.00 1.70 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 1.64 1.47 0.00 38 E 8.21 4.10 0.00 1.87 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 2.41 1.47 0.00 39 W 7.90 4.88 0.00 3.30 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 K 8.80 4.59 0.00 1.77 1.75 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.81 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.37 7.81 41 V 8.30 4.35 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 0.88 0.00 0.00 0.98 0.00 0.00 42 P 0.00 4.63 0.00 2.12 1.98 0.00 3.81 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 2.07 2.12 0.00 43 Y 7.87 4.90 0.00 3.02 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 44 V 8.29 4.21 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 0.86 0.00 0.00 0.92 0.00 0.00 45 I 8.12 4.31 1.87 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.73 0.95 0.00 0.00 46 P 0.00 4.32 0.00 2.05 2.01 0.00 3.73 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 47 A 8.43 4.21 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 48 S 8.27 4.73 0.00 3.93 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 49 N 8.51 4.85 0.00 2.68 2.76 0.00 0.00 6.74 8.16 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 50 H 8.43 5.00 0.00 3.06 3.21 0.00 5.84 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 T 8.23 4.77 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 1.22 0.00 0.00 52 Y 8.38 4.75 0.00 2.90 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 53 T 8.02 4.19 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 1.09 0.00 0.00 54 P 0.00 4.36 0.00 2.10 1.97 0.00 3.29 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.21 0.00 55 D 8.35 4.26 0.00 2.78 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 F 8.76 4.93 0.00 3.13 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 57 L 8.45 4.73 0.00 1.28 1.46 -0.25 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 58 L 8.51 4.51 0.00 1.86 1.56 1.01 0.94 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 59 P 0.00 4.22 0.00 2.04 2.13 0.00 3.67 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 60 N 8.11 4.57 0.00 2.98 3.03 0.00 0.00 6.47 6.92 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 61 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 62 I 7.57 4.14 1.93 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.65 0.81 0.00 0.00 63 F 9.25 5.05 0.00 3.20 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 64 V 9.43 4.96 2.31 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 1.15 0.00 0.00 1.16 0.00 0.00 65 E 9.46 5.17 0.00 2.32 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 2.24 2.19 0.00 66 T 9.25 4.83 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 67 K 9.18 4.25 0.00 1.39 1.05 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.69 1.44 7.81 68 G 9.26 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 69 L 9.12 4.37 0.00 1.73 1.71 1.09 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 70 W 8.95 4.90 0.00 2.68 1.86 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 71 E 8.27 4.19 0.00 1.96 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 2.44 2.33 0.00 72 S 8.44 3.79 0.00 3.77 3.76 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 73 D 7.88 4.22 0.00 2.65 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 74 D 7.75 4.27 0.00 2.72 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 R 7.28 3.13 0.00 1.26 0.75 0.00 2.21 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 76 K 7.98 3.95 0.00 1.84 1.79 0.00 1.59 0.00 0.00 1.52 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.52 7.81 77 K 8.04 3.82 0.00 1.79 1.87 0.00 1.48 0.00 0.00 1.54 0.00 0.00 2.80 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.05 1.33 7.81 78 H 8.20 3.94 0.00 3.68 3.57 0.00 5.86 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 79 L 7.93 4.08 0.00 1.87 1.70 0.77 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 80 L 8.12 4.16 0.00 1.81 1.70 0.89 0.74 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 81 I 8.02 3.79 1.95 0.00 0.00 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 1.55 0.68 0.95 0.00 0.00 82 R 7.86 4.01 0.00 1.98 2.02 0.00 3.27 0.00 0.00 3.30 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.92 0.00 83 E 8.02 4.11 0.00 2.12 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 2.46 0.00 84 Q 8.39 4.23 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.28 0.00 0.00 0.00 0.00 0.00 2.35 2.46 0.00 85 H 8.73 5.32 0.00 3.25 3.16 0.00 5.63 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 P 0.00 4.44 0.00 2.17 2.18 0.00 3.73 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 87 E 8.13 4.16 0.00 2.14 2.24 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 2.36 2.27 0.00 88 L 7.59 4.67 0.00 1.67 1.63 0.69 1.01 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 89 D 8.58 4.83 0.00 2.68 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 I 8.28 5.07 1.97 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 1.36 0.82 1.13 0.00 0.00 91 R 9.15 4.87 0.00 1.44 1.48 0.00 2.21 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.30 0.00 92 I 8.67 4.90 1.32 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 0.77 0.87 -0.48 0.00 0.00 93 V 8.67 4.72 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 0.94 0.00 0.00 0.94 0.00 0.00 94 F 8.90 5.81 0.00 3.18 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 95 S 8.96 4.29 0.00 3.90 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 96 S 7.99 4.73 0.00 3.82 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 97 S 9.60 3.87 0.00 3.70 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 0.00 98 R 7.49 4.03 0.00 1.76 1.94 0.00 3.35 0.00 0.00 3.20 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 99 T 6.92 3.59 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 0.77 0.00 0.00 100 K 7.97 4.42 0.00 1.57 1.51 0.00 1.84 0.00 0.00 1.55 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.29 1.31 7.81 101 L 8.23 4.27 0.00 1.17 1.73 0.97 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 102 Y 6.82 4.64 0.00 3.13 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 0.00 103 K 8.86 3.91 0.00 1.81 1.89 0.00 1.79 0.00 0.00 1.73 0.00 0.00 2.81 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.45 1.44 7.81 104 G 8.95 4.02 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 0.00 0.00 0.00 105 S 7.62 4.07 0.00 2.72 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 0.00 106 P 0.00 4.44 0.00 2.18 2.11 0.00 3.70 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.96 0.00 107 T 7.61 4.51 4.19 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 1.29 0.00 0.00 108 S 8.74 4.90 0.00 4.08 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 0.00 109 Y 8.31 4.52 0.00 2.38 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 0.00 0.00 0.00 110 G 8.02 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 0.00 0.00 0.00 111 E 8.09 4.30 0.00 2.22 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 0.00 2.36 2.18 0.00 112 F 8.39 4.14 0.00 3.25 3.44 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 0.00 113 C 8.59 4.38 0.00 3.05 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 0.00 114 E 8.56 4.11 0.00 2.23 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 2.68 2.93 0.00 115 K 8.03 3.96 0.00 1.71 1.75 0.00 1.69 0.00 0.00 1.47 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.03 1.32 7.81 116 H 7.77 4.67 0.00 2.96 3.23 0.00 5.95 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 G 7.67 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 I 7.91 4.28 2.12 0.00 0.00 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 1.38 0.74 1.07 0.00 0.00 119 K 8.73 4.56 0.00 1.42 1.58 0.00 1.32 0.00 0.00 1.58 0.00 0.00 2.80 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.50 1.38 7.81 120 F 8.64 5.87 0.00 3.42 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 A 9.24 4.57 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 D 8.26 5.26 0.00 2.57 2.61 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 0.00 123 K 9.70 4.33 0.00 1.84 1.96 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.42 7.81 124 L 7.14 4.76 0.00 1.43 1.37 0.86 0.77 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 0.00 125 I 7.90 3.56 1.72 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.28 0.94 0.00 0.00 126 P 0.00 3.89 0.00 0.95 1.43 0.00 2.20 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.29 0.00 127 A 8.54 3.98 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 0.00 128 E 7.99 4.00 0.00 1.97 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 129 W 7.98 4.84 0.00 3.48 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 0.00 130 I 7.89 3.81 2.05 0.00 0.00 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 1.66 0.51 0.92 0.00 0.00 131 K 7.66 4.20 0.00 1.85 1.88 0.00 1.88 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.48 1.69 7.81 132 E 7.66 4.11 0.00 2.17 1.87 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 2.36 2.56 0.00 133 P 0.00 4.28 0.00 2.17 2.07 0.00 3.78 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 134 K 8.61 4.33 0.00 1.79 1.76 0.00 1.73 0.00 0.00 1.77 0.00 0.00 3.21 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.43 1.45 7.81 135 K 8.63 4.72 0.00 1.72 1.69 0.00 1.63 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.34 7.81 136 E 8.90 4.11 0.00 1.87 1.94 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 2.32 2.27 0.00 137 V 8.09 3.98 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 0.00 0.00 0.12 0.00 0.00 0.69 0.00 0.00 138 P 0.00 4.59 0.00 2.24 2.17 0.00 3.64 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.95 0.00 139 F 7.99 4.27 0.00 3.26 3.18 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 0.00 0.00 0.00 0.00 140 D 8.19 4.51 0.00 2.71 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 0.00 141 R 8.15 4.22 0.00 1.87 2.03 0.00 3.31 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.75 0.00 142 L 7.83 4.68 0.00 1.84 1.62 0.99 0.48 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 0.00 143 K 8.16 4.60 0.00 1.72 1.55 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.24 0.94 7.81 144 R 8.56 4.16 0.00 1.76 1.86 0.00 3.19 0.00 0.00 3.26 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 145 K 8.62 4.10 0.00 1.88 1.78 0.00 1.64 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.40 1.43 7.81