NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.2315 8.3444 119.6782 55.4936 30.1456 174.7493 4 N 4.3763 8.5220 120.8772 52.2863 39.8825 172.8516 5 I 3.8800 8.6203 123.4852 63.4370 40.3028 174.7082 6 L 5.3106 8.0545 123.5163 53.3747 45.0427 175.4614 7 S 5.3040 9.0723 122.1234 56.9132 66.4890 173.6428 8 V 5.0199 8.7248 114.9041 59.1571 36.2446 174.0898 9 H 5.4060 8.4038 116.7429 54.7007 32.5455 171.9378 10 I 4.9060 8.6738 119.2369 59.4230 40.8211 174.1740 11 L 4.8653 8.7746 129.3414 53.1855 44.4408 174.6551 12 N 5.1784 9.0007 126.1498 53.0513 39.1722 175.3806 13 Q 4.2170 9.1561 126.3510 57.8770 28.6657 177.7593 14 Q 4.2909 8.8638 118.5788 57.5530 29.2527 176.7661 15 T 4.3395 8.2075 105.5711 60.5741 70.0799 174.8315 16 G 3.9742 8.4125 109.9776 46.4295 0.0000 173.0199 17 K 4.8102 7.5819 116.9412 53.2079 36.9366 173.9825 18 P 4.7336 0.0000 0.0000 62.7090 32.3042 176.7390 19 A 4.2995 8.6086 125.0954 50.8948 19.1079 176.6055 20 A 4.4449 8.5503 123.2622 52.1962 20.2341 176.0642 21 D 4.2874 8.2637 117.3258 55.3722 40.3641 173.8962 22 V 4.3331 7.5997 117.7895 61.2015 33.6142 175.3252 23 T 4.4680 8.4687 124.7614 63.7630 69.9996 173.5190 24 V 4.7370 9.0497 125.3921 61.4469 34.9018 174.3454 25 T 4.9353 8.4620 117.8117 59.9541 72.0207 172.9993 26 L 5.0758 8.4874 124.2005 53.4157 45.1039 175.0903 27 E 5.1923 9.2796 124.5205 54.5233 34.4977 174.1196 28 K 4.6414 9.0771 123.8261 54.1625 34.9166 175.2284 29 K 3.4381 8.1178 129.1103 56.0140 32.9065 176.2950 30 A 4.3337 8.4450 129.6193 52.0411 23.2353 175.1367 31 D 3.9633 8.1079 123.2104 56.1798 39.4937 174.6898 32 N 4.6877 8.8159 125.1604 54.1644 39.3806 174.7867 33 G 4.3052 7.8203 107.9379 45.0173 0.0000 171.6674 34 W 5.5458 8.6911 120.6544 55.1750 33.4963 174.5446 35 L 4.7048 9.0855 124.8557 52.9702 43.3969 175.6242 36 Q 4.4730 8.7292 125.5092 56.2906 29.0954 175.2995 37 L 4.4693 8.7597 126.1357 56.0386 43.5416 175.9694 38 N 4.6520 7.4516 114.4793 53.0483 42.2922 173.0786 39 T 5.0795 8.2658 116.1508 60.6867 71.0146 172.2743 40 A 4.6904 8.6885 127.9694 51.0331 23.5620 174.6137 41 K 5.1399 8.2925 117.2323 54.4618 35.5750 177.1176 42 T 4.2197 8.7112 115.0402 62.2107 70.0711 174.6425 43 D 4.8840 8.9157 124.2403 52.4432 41.4236 176.7255 44 K 4.0315 8.5763 117.0044 60.0549 32.6530 177.0647 45 D 4.6215 8.3113 117.9346 53.9034 40.9393 176.7663 46 G 4.0391 8.2080 106.9457 46.2054 0.0000 173.7774 47 R 5.0477 8.3302 118.4312 54.1839 32.4870 175.7446 48 I 4.7570 8.5027 121.7058 59.1897 38.2596 176.6051 49 K 3.9536 8.6412 125.4591 58.4924 32.1544 177.4322 50 A 4.6423 7.5504 119.9399 50.3792 19.4707 174.5944 51 L 4.2590 8.8696 123.5732 56.3906 42.9407 177.3117 52 W 3.8174 8.1210 128.7918 56.1798 31.1485 173.7752 53 P 4.5867 0.0000 0.0000 62.4044 31.9105 177.0839 54 E 4.4080 8.3115 119.0134 54.1587 27.6712 175.3489 55 Q 4.5840 7.6936 118.1251 54.8692 32.4488 173.8665 56 T 3.9165 8.6788 122.1205 63.5634 69.0394 173.9143 57 A 4.3540 8.2891 129.6766 51.9918 19.0928 176.6404 58 T 4.7119 7.7280 111.4300 59.4094 71.3684 174.5253 59 T 4.2166 8.3602 112.6642 61.3650 69.6727 174.7232 60 G 3.8645 7.3876 109.0677 45.1726 0.0000 170.8456 61 D 5.3670 7.5834 118.6430 52.9159 43.5341 175.5515 62 Y 5.2290 8.3667 118.2099 56.3328 43.0640 174.2336 63 R 4.8057 8.9296 120.8071 54.8270 33.3983 174.1424 64 V 4.5540 8.8279 119.9118 59.8593 34.1817 175.2046 65 V 4.4976 8.2701 124.7965 61.0198 34.0220 174.3975 66 F 4.5944 9.0117 128.6238 56.2886 39.6584 177.0752 67 K 4.4870 8.6242 128.7202 55.7320 28.5416 177.9576 68 T 4.1258 7.6966 112.5289 64.1484 69.6377 177.0968 69 G 4.0359 8.1567 109.8491 47.4399 0.0000 175.2145 70 D 4.4055 8.1156 121.0124 56.9524 40.5740 177.7971 71 Y 4.1009 7.7194 119.8733 61.0974 38.6737 178.6040 72 F 4.3703 8.3599 118.5200 60.2305 39.0944 177.6856 73 K 3.9750 8.2880 119.5446 59.4396 31.7627 179.0712 74 K 4.0777 7.9592 117.9238 58.9350 31.9267 178.2452 75 Q 4.3203 7.2164 116.6087 54.6513 28.9533 175.2051 76 N 4.2322 7.9188 115.7418 54.4916 36.8482 174.0608 77 L 4.7724 7.9582 116.4376 52.8380 44.3018 176.9327 78 E 4.3055 8.5402 122.4333 56.1205 30.4398 176.0285 79 S 3.9917 7.8854 114.4652 56.0927 65.6230 174.0539 80 F 4.1854 7.4763 128.1353 60.0051 39.2318 175.1874 81 F 4.7842 7.1212 119.6725 54.5461 40.3197 173.8209 82 P 4.3988 0.0000 0.0000 65.7284 31.3053 175.4235 83 E 4.9542 7.5660 113.6871 55.5533 32.5511 175.1341 84 I 4.3814 8.6155 120.7480 58.8067 39.7263 173.3091 85 P 4.9657 0.0000 0.0000 62.0740 32.9517 175.8526 86 V 4.4891 8.8057 121.6632 61.4695 34.5520 173.7358 87 E 5.2797 9.0232 127.5939 55.0061 31.4073 175.2846 88 F 5.0766 8.5137 117.5829 55.8322 41.9717 172.9823 89 H 5.0761 8.9634 117.3023 55.7661 29.9328 175.2623 90 I 4.2458 9.1802 124.7364 59.9132 38.0739 175.7967 91 N 4.7566 9.0360 123.8229 52.6461 38.4168 175.6768 92 K 4.4254 8.0345 119.7471 55.5404 34.4366 177.0530 93 V 3.8856 8.3565 118.0530 62.8455 31.9272 177.7019 94 N 4.4176 8.1247 116.4417 54.6612 37.4761 174.9054 95 E 4.3510 7.6536 117.9269 55.2805 31.1765 174.3844 96 H 4.8460 8.2346 120.1401 54.9651 31.3259 173.1757 97 Y 4.4601 9.3092 124.6221 56.4485 40.3072 174.2505 98 H 5.0206 8.5855 123.2328 54.4920 32.9699 172.1275 99 V 4.4106 8.5644 125.3410 59.1684 31.9998 172.8219 100 P 4.4282 0.0000 0.0000 61.4989 33.2852 174.4439 101 L 4.7264 8.6039 123.6978 53.2346 45.0890 175.0311 102 L 4.9385 8.9892 127.1159 53.3136 43.4400 175.1421 103 L 5.1717 9.0779 127.0146 53.3576 44.7430 175.4311 104 S 5.3610 9.2274 121.3779 56.5731 66.7031 174.3179 105 Q 3.4024 9.7079 120.2202 58.7039 28.3900 178.3311 106 Y 4.4583 7.8066 112.3185 56.9134 39.1827 175.1324 107 G 4.3805 8.3140 106.5458 45.3261 0.0000 172.2461 108 Y 5.3948 7.7187 118.1499 56.1066 41.0408 173.7539 109 S 4.8787 9.1997 115.1366 57.3506 67.2877 173.2649 110 T 5.1785 8.6179 116.0435 60.9034 70.3698 171.5826 111 Y 4.7146 7.6376 121.6384 56.3120 41.2736 172.7490 112 R 4.3946 8.8382 121.0024 55.9193 30.5842 176.0893 113 G 4.1872 8.6004 116.6358 45.2667 0.0000 173.5292 114 S 4.4933 8.4598 114.1641 58.3692 63.3386 173.8278 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 3 Q 8.34 4.23 0.00 1.92 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.98 0.00 0.00 0.00 0.00 0.00 2.19 2.26 0.00 4 N 8.52 4.38 0.00 2.77 2.91 0.00 0.00 7.04 7.06 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 5 I 8.62 3.88 1.63 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.41 0.34 0.00 0.00 6 L 8.05 5.31 0.00 2.10 1.79 0.95 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 7 S 9.07 5.30 0.00 3.36 3.54 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 8 V 8.72 5.02 2.34 0.00 0.00 0.00 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 0.91 0.00 0.00 9 H 8.40 5.41 0.00 3.26 3.38 0.00 5.40 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 I 8.67 4.91 1.69 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 0.82 0.94 0.61 0.00 0.00 11 L 8.77 4.87 0.00 1.72 1.54 0.94 0.74 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 12 N 9.00 5.18 0.00 2.86 2.95 0.00 0.00 6.80 7.45 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 13 Q 9.16 4.22 0.00 2.06 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.72 0.00 0.00 0.00 0.00 0.00 2.45 2.65 0.00 14 Q 8.86 4.29 0.00 2.29 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.77 0.00 0.00 0.00 0.00 0.00 2.49 2.60 0.00 15 T 8.21 4.34 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 1.30 0.00 0.00 16 G 8.41 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 0.00 0.00 0.00 17 K 7.58 4.81 0.00 1.70 1.69 0.00 1.70 0.00 0.00 1.84 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.65 7.81 18 P 0.00 4.73 0.00 1.94 2.09 0.00 3.67 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 2.02 2.08 0.00 19 A 8.61 4.30 0.52 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 20 A 8.55 4.44 1.25 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 0.00 0.00 21 D 8.26 4.29 0.00 2.82 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 22 V 7.60 4.33 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 0.92 0.00 0.00 0.48 0.00 0.00 23 T 8.47 4.47 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 1.21 0.00 0.00 24 V 9.05 4.74 1.91 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 0.49 0.00 0.00 0.90 0.00 0.00 25 T 8.46 4.94 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 1.12 0.00 0.00 26 L 8.49 5.08 0.00 1.56 1.27 0.90 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 27 E 9.28 5.19 0.00 1.78 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 2.23 2.15 0.00 28 K 9.08 4.64 0.00 1.86 1.60 0.00 1.84 0.00 0.00 1.61 0.00 0.00 2.84 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.08 0.73 7.81 29 K 8.12 3.44 0.00 0.79 1.08 0.00 1.39 0.00 0.00 1.35 0.00 0.00 2.50 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.78 0.21 7.81 30 A 8.44 4.33 1.08 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 0.00 0.00 31 D 8.11 3.96 0.00 2.73 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 0.00 0.00 0.00 32 N 8.82 4.69 0.00 2.65 2.79 0.00 0.00 6.46 7.65 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 33 G 7.82 4.31 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 0.00 34 W 8.69 5.55 0.00 3.17 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 35 L 9.09 4.70 0.00 1.53 1.56 0.89 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 36 Q 8.73 4.47 0.00 2.04 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.90 0.00 0.00 0.00 0.00 0.00 2.33 2.48 0.00 37 L 8.76 4.47 0.00 1.17 1.38 0.74 1.00 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 38 N 7.45 4.65 0.00 2.58 2.41 0.00 0.00 6.60 7.22 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 39 T 8.27 5.08 4.17 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 1.16 0.00 0.00 40 A 8.69 4.69 1.17 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 0.00 0.00 41 K 8.29 5.14 0.00 1.58 1.66 0.00 1.76 0.00 0.00 1.92 0.00 0.00 2.76 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.37 7.81 42 T 8.71 4.22 4.27 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 1.28 0.00 0.00 43 D 8.92 4.88 0.00 2.87 2.88 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 44 K 8.58 4.03 0.00 1.89 1.99 0.00 1.56 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.41 1.46 7.81 45 D 8.31 4.62 0.00 2.78 2.70 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 46 G 8.21 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 47 R 8.33 5.05 0.00 2.21 1.83 0.00 3.07 0.00 0.00 3.18 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.75 0.00 48 I 8.50 4.76 1.85 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.68 0.89 0.00 0.00 49 K 8.64 3.95 0.00 1.75 1.88 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.45 7.81 50 A 7.55 4.64 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 51 L 8.87 4.26 0.00 1.57 1.84 0.83 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 52 W 8.12 3.82 0.00 3.50 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 53 P 0.00 4.59 0.00 2.19 1.96 0.00 2.52 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.86 0.00 54 E 8.31 4.41 0.00 2.01 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 2.35 2.26 0.00 55 Q 7.69 4.58 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.91 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 56 T 8.68 3.92 4.29 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 1.20 0.00 0.00 57 A 8.29 4.35 0.14 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 0.00 0.00 58 T 7.73 4.71 4.32 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 1.29 0.00 0.00 59 T 8.36 4.22 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 1.24 0.00 0.00 60 G 7.39 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 61 D 7.58 5.37 0.00 2.38 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 62 Y 8.37 5.23 0.00 2.01 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 63 R 8.93 4.81 0.00 0.67 1.01 0.00 2.47 0.00 0.00 2.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.17 0.00 64 V 8.83 4.55 1.55 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 0.69 0.00 0.00 0.92 0.00 0.00 65 V 8.27 4.50 1.91 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 0.92 0.00 0.00 0.75 0.00 0.00 66 F 9.01 4.59 0.00 2.79 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 K 8.62 4.49 0.00 1.81 1.77 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.55 7.81 68 T 7.70 4.13 4.31 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 1.09 0.00 0.00 69 G 8.16 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 70 D 8.12 4.41 0.00 2.88 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 71 Y 7.72 4.10 0.00 2.90 2.91 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 72 F 8.36 4.37 0.00 3.16 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 73 K 8.29 3.98 0.00 2.00 1.98 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.50 7.81 74 K 7.96 4.08 0.00 1.85 1.81 0.00 1.86 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.47 7.81 75 Q 7.22 4.32 0.00 2.23 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 2.23 2.12 0.00 76 N 7.92 4.23 0.00 2.87 2.89 0.00 0.00 6.70 7.19 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 77 L 7.96 4.77 0.00 1.88 1.47 1.13 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 78 E 8.54 4.31 0.00 2.02 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 2.33 2.32 0.00 79 S 7.89 3.99 0.00 3.46 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 F 7.48 4.19 0.00 2.37 1.65 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 81 F 7.12 4.78 0.00 3.06 3.09 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 82 P 0.00 4.40 0.00 2.22 2.30 0.00 3.73 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.93 0.00 83 E 7.57 4.95 0.00 2.06 1.93 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 2.16 2.28 0.00 84 I 8.62 4.38 1.59 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 0.33 0.48 0.11 0.00 0.00 85 P 0.00 4.97 0.00 1.95 1.89 0.00 3.69 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.90 0.00 86 V 8.81 4.49 2.28 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 1.12 0.00 0.00 1.11 0.00 0.00 87 E 9.02 5.28 0.00 1.96 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 2.23 2.21 0.00 88 F 8.51 5.08 0.00 3.25 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 89 H 8.96 5.08 0.00 3.22 3.32 0.00 5.66 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 I 9.18 4.25 1.93 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.17 0.93 0.64 0.00 0.00 91 N 9.04 4.76 0.00 2.87 2.97 0.00 0.00 6.06 7.13 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 92 K 8.03 4.43 0.00 1.85 1.99 0.00 1.85 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.41 1.49 7.81 93 V 8.36 3.89 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.90 0.00 0.00 94 N 8.12 4.42 0.00 2.81 2.94 0.00 0.00 6.03 7.66 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 95 E 7.65 4.35 0.00 1.88 1.54 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 2.20 2.19 0.00 96 H 8.23 4.85 0.00 3.05 3.10 0.00 5.72 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 Y 9.31 4.46 0.00 3.01 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 98 H 8.59 5.02 0.00 3.04 2.86 0.00 5.63 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 99 V 8.56 4.41 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 1.00 0.00 0.00 0.40 0.00 0.00 100 P 0.00 4.43 0.00 1.49 1.40 0.00 2.75 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.62 0.00 101 L 8.60 4.73 0.00 0.51 0.70 0.44 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 102 L 8.99 4.94 0.00 1.70 1.65 0.99 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 103 L 9.08 5.17 0.00 1.60 1.61 1.01 0.39 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 0.00 104 S 9.23 5.36 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 0.00 105 Q 9.71 3.40 0.00 2.02 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.82 0.00 0.00 0.00 0.00 0.00 1.16 1.65 0.00 106 Y 7.81 4.46 0.00 2.88 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 G 8.31 4.38 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 0.00 108 Y 7.72 5.39 0.00 2.95 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 0.00 109 S 9.20 4.88 0.00 3.85 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 T 8.62 5.18 4.28 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 1.33 0.00 0.00 111 Y 7.64 4.71 0.00 3.08 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 0.00 112 R 8.84 4.39 0.00 1.89 1.96 0.00 3.31 0.00 0.00 3.26 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 113 G 8.60 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 0.00 0.00 0.00 0.00 114 S 8.46 4.49 0.00 3.99 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00