NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4607 8.3044 118.1964 55.5946 32.6085 173.9941 1 V 4.2093 7.7944 116.8630 61.4848 34.2896 171.6501 2 L 4.3123 8.3155 127.5123 53.9821 43.5913 176.9317 3 S 4.5324 8.7183 117.7700 57.6146 65.3581 175.0627 4 E 4.2640 8.8611 122.5450 59.6639 29.3002 179.1589 5 G 3.6096 8.0916 105.0419 47.4390 0.0000 175.5008 6 E 3.9653 7.9422 121.2192 59.1077 29.5168 179.2156 7 W 4.3686 8.0283 119.0083 59.8231 29.0375 178.5542 8 Q 4.1569 8.5372 118.4221 59.1033 28.1016 178.9171 9 L 4.1145 8.0942 120.0165 57.6138 41.6171 179.8245 10 V 3.7448 8.0328 118.3127 66.1524 31.5320 178.1198 11 L 4.3361 8.7655 118.5268 57.2847 40.9569 178.9933 12 H 4.2525 8.3782 119.0170 59.0869 29.8925 177.3138 13 V 3.3669 7.7450 119.7587 65.8069 31.3457 177.4785 14 W 3.7158 8.4373 127.8745 60.6069 30.1882 177.6916 15 A 3.9762 8.2118 119.5079 54.6785 18.1275 179.5661 16 K 3.9232 7.2100 117.0691 59.3539 32.3743 179.3042 17 V 2.9534 7.0447 118.4453 66.0820 30.9545 177.8587 18 E 3.7525 7.6632 116.5709 59.2224 29.2596 178.8929 19 A 4.1060 7.1184 118.8479 54.1931 19.5399 177.2942 20 D 4.6659 7.7726 115.8085 51.6193 41.6546 175.7351 21 V 3.4699 7.8374 122.7627 66.3127 31.8833 176.7807 22 A 4.0482 7.9701 119.8519 55.1320 18.3615 179.6734 23 G 3.6174 8.2571 105.6304 47.5309 0.0000 175.6511 24 H 4.1001 8.3624 118.5878 58.6696 28.7970 177.8926 25 G 3.7265 8.2204 107.5731 48.0269 0.0000 175.4898 26 Q 3.8946 8.0126 120.2249 58.7943 28.8342 178.4254 27 D 4.2973 7.8931 119.6594 57.7110 40.8488 179.0154 28 I 3.6454 7.8996 120.0617 64.5944 37.0889 178.5942 29 L 3.4934 7.7910 119.5557 57.5232 41.3896 179.5174 30 I 3.6287 7.7299 119.9636 64.2392 36.8591 178.4973 31 R 3.8101 7.7826 119.6042 59.0598 29.8293 178.2810 32 L 3.8995 7.8902 120.4780 58.1919 41.6780 178.9320 33 F 4.6580 7.8568 117.4344 59.8738 38.6152 178.1667 34 K 4.0686 7.9114 118.0243 59.5809 32.0399 179.2258 35 S 4.1999 8.0802 114.4151 60.5491 64.2114 174.6438 36 H 4.8039 8.3690 118.0678 51.9458 29.1394 171.7368 37 P 4.4733 0.0000 0.0000 64.8808 31.4397 177.4977 38 E 4.0647 8.4305 115.9964 59.9764 29.1402 179.3000 39 T 3.7584 8.3126 110.5304 64.2884 68.6205 176.1709 40 L 3.5926 7.9554 123.5892 57.9096 41.7722 178.5144 41 E 4.1205 7.8600 117.8810 59.2805 29.5026 178.4504 42 K 3.9919 7.9641 115.9040 57.7240 32.3877 176.7712 43 F 4.3203 8.2810 119.5420 55.3710 39.0536 176.0600 44 D 4.6124 8.4589 126.7981 56.4270 40.8230 177.8331 45 R 4.4175 7.5637 113.1228 56.1152 30.2929 176.6268 46 F 5.0321 7.7197 117.1665 58.6718 41.6207 178.6909 47 K 4.6094 7.4726 120.7365 59.2386 33.3913 175.8080 48 H 4.4785 8.2167 111.1444 56.0747 29.0373 175.0756 49 L 4.1135 7.6893 122.3679 55.0041 41.4947 177.1587 50 K 4.2235 9.2171 124.6818 58.0044 32.8705 177.3374 51 T 4.7489 7.4900 107.8534 58.8345 73.2655 174.1736 52 E 3.9501 8.6933 120.8803 59.2457 29.5955 178.6911 53 A 3.9799 7.8923 120.6223 55.1482 18.3155 179.3112 54 E 3.9543 7.8675 115.7262 59.5267 29.8220 179.2868 55 M 4.1238 7.7759 118.3885 58.4367 31.8827 178.8361 56 K 3.8863 8.1603 117.2897 59.0243 32.2815 178.2102 57 A 4.4084 7.5616 118.0480 51.1328 19.3865 176.5905 58 S 4.5148 7.2924 113.9851 56.7171 63.6188 174.6916 59 E 3.9893 8.7392 128.2382 59.1990 29.4776 178.4163 60 D 4.4186 8.0637 118.7108 57.2650 40.9327 178.0910 61 L 2.8504 7.4291 120.7289 57.7921 41.8925 179.0208 62 K 3.8561 7.7221 119.0699 59.3384 32.1010 178.9464 63 K 4.0973 8.4255 119.3770 59.5060 31.9660 179.6172 64 G 3.9331 8.8383 106.4927 47.7326 0.0000 176.0479 65 G 3.6214 8.3672 108.3327 47.5405 0.0000 176.0203 66 V 3.6762 7.8522 120.5858 66.1389 31.5187 178.2793 67 T 3.9199 8.0250 115.5656 66.5519 68.2572 176.8509 68 V 3.6700 8.0952 120.1513 66.1121 31.6252 178.1602 69 L 4.2210 8.4465 119.1790 58.0866 41.5986 179.5967 70 T 3.9423 8.3864 115.8199 66.7117 68.5314 176.4780 71 A 4.0262 8.2093 122.6478 55.0167 18.2938 179.4573 72 L 3.6712 8.4315 119.3951 58.1925 42.1691 179.4291 73 G 3.4129 8.7493 105.7737 47.7281 0.0000 175.4774 74 A 4.0758 7.7544 121.7230 54.6881 18.6442 179.5071 75 I 3.8537 7.4555 118.5272 64.4144 37.2819 178.5254 76 L 4.0354 7.9743 120.1043 57.4443 41.1432 179.3575 77 K 4.0188 7.6865 117.0804 58.2680 32.2985 178.9489 78 K 3.9120 7.8875 118.8635 56.5413 32.1016 176.9126 79 K 2.0000 8.0548 117.4479 56.4899 29.5004 175.9958 80 G 4.0398 8.0932 107.2452 45.9400 0.0000 174.5537 81 H 5.0517 7.9393 118.3950 54.4162 27.5595 174.9406 82 H 5.0962 7.0874 111.7644 54.6089 29.6842 176.8154 83 E 3.9480 8.4521 121.4160 60.3551 28.9892 179.2639 84 A 4.0545 7.9207 118.2644 55.1767 19.1360 179.0913 85 E 4.0957 8.1704 116.6834 59.3166 29.4935 179.1616 86 L 3.9416 8.0497 119.0161 57.1877 41.7241 178.8723 87 K 4.1792 7.9003 119.0288 59.2960 32.0428 177.1748 88 P 4.2798 0.0000 0.0000 65.8619 31.2965 178.1199 89 L 3.9621 7.4590 118.8042 58.0410 42.0835 178.9265 90 A 4.3021 8.9804 121.7498 55.0202 18.2069 179.4946 91 Q 3.8569 8.1187 118.7428 59.3605 29.1723 178.3911 92 S 4.0516 8.0954 115.3394 61.6366 63.1040 176.1688 93 H 4.0988 8.3561 119.1972 58.3431 28.1981 177.6764 94 A 2.5800 7.8101 122.0693 54.5196 18.2420 179.0630 95 T 3.9224 7.3171 112.3866 64.3987 69.2250 175.8745 96 K 4.1406 7.2868 119.5751 58.4104 33.3541 176.9521 97 H 4.2658 8.0113 114.7099 57.0465 29.2876 175.6877 98 K 3.3661 7.6292 115.4417 56.9967 28.5924 177.7682 99 I 4.1806 7.4327 119.5142 59.0762 37.4016 174.8292 100 P 4.5143 0.0000 0.0000 62.4741 31.9215 177.5876 101 I 3.5770 8.2337 120.2885 64.2608 36.8261 178.4433 102 K 3.5747 7.9887 120.0792 60.0506 31.7827 178.1414 103 Y 4.1519 8.0450 116.8406 60.9711 37.7433 178.4009 104 L 4.1857 7.8767 119.6234 57.7547 41.8828 179.1308 105 E 4.0419 8.1594 118.6163 59.3723 29.4187 179.3412 106 F 4.4709 7.9931 117.7267 60.8868 39.0690 177.5391 107 I 3.7999 8.0581 118.1054 64.3496 37.7265 177.9362 108 S 4.2567 8.4299 116.0348 61.4298 62.7065 176.4626 109 E 3.9752 8.2402 121.6452 59.4034 29.5791 178.8037 110 A 4.0921 8.1133 120.6449 54.9016 18.2824 179.8249 111 I 3.6718 7.9432 118.6259 64.8467 37.3308 178.6175 112 I 3.8123 8.0039 120.5640 64.5170 36.7508 178.1413 113 H 4.1378 8.2190 118.8281 59.2646 29.7816 177.4845 114 V 3.5531 7.7382 119.9126 66.1014 31.3207 177.9678 115 L 3.8455 7.9272 118.7410 57.7489 41.0279 179.0764 116 H 4.3917 7.9494 117.3951 59.4004 29.9732 177.1002 117 S 4.2004 7.9478 115.7008 61.9751 62.8131 176.8327 118 R 3.9671 7.8457 119.0344 57.9488 31.3036 177.1174 119 H 4.9975 8.0017 115.5590 53.8083 28.4205 173.1281 120 P 4.2798 0.0000 0.0000 65.3708 32.0544 179.5248 121 G 3.7324 8.0809 106.3834 46.9267 0.0000 173.6706 122 N 4.8848 8.3535 115.5141 53.1049 40.0838 174.6298 123 F 4.9783 7.7339 120.1534 56.9651 39.1540 174.3646 124 G 3.8854 7.5259 110.0217 43.5470 0.0000 172.0972 125 A 3.8499 8.3625 120.8176 55.5099 18.2398 179.3610 126 D 4.2264 8.0821 116.3128 57.6611 40.9136 179.0389 127 A 3.9701 7.7307 120.5781 55.0886 18.3814 179.3241 128 Q 3.4223 7.9245 118.6179 58.6848 28.9322 178.7667 129 G 3.4503 8.0118 106.9378 47.6747 0.0000 175.6776 130 A 3.8863 7.9138 123.5187 54.9140 18.2227 179.4305 131 M 4.0018 8.2106 116.8945 58.4989 32.3302 177.9733 132 N 4.3024 8.5118 117.7340 56.5039 39.1350 176.6632 133 K 3.8131 8.1092 120.7683 59.5824 32.2441 178.5480 134 A 3.8773 8.0502 121.1216 55.1210 18.1896 179.6273 135 L 4.1163 8.2989 117.7866 57.7933 41.7443 179.4507 136 E 3.9760 8.7032 119.1525 59.2795 29.4923 179.0231 137 L 3.9757 8.3908 120.8432 58.0114 42.1102 178.7041 138 F 4.1560 8.4890 120.5939 61.6171 39.2691 177.3563 139 R 3.3828 8.1170 117.5883 58.8193 29.7318 179.0578 140 K 3.8311 8.0821 119.4464 59.6818 32.2469 178.7526 141 D 4.3345 7.9475 118.8603 57.1531 40.5861 178.8914 142 I 3.5410 7.5816 120.3896 64.0263 37.0357 178.1865 143 A 3.6078 7.9621 121.7846 55.0182 18.2746 179.5927 144 A 3.9984 8.1450 119.3354 55.0476 18.3885 180.0859 145 K 4.0226 8.0174 117.3588 59.6566 32.0777 178.9618 146 Y 4.3261 8.3976 117.4747 61.1886 37.8402 178.6831 147 K 3.9350 8.1706 120.2941 59.8234 32.0684 178.6682 148 E 4.0576 7.9403 117.1241 58.9644 29.4325 178.5810 149 L 4.3829 7.6314 117.2842 54.7960 42.0379 177.5569 150 G 4.1281 7.7114 106.9147 45.2985 0.0000 172.6893 151 Y 4.9222 7.9196 119.7193 56.3812 42.1888 178.3055 152 Q 2.7097 8.2564 124.2752 56.9091 28.6929 174.4140 153 G 4.2264 8.1223 115.8737 45.4597 0.0000 174.2626 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 0 M 8.30 4.46 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.55 0.00 1 V 7.79 4.21 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 0.78 0.00 0.00 0.95 0.00 0.00 2 L 8.32 4.31 0.00 1.10 0.64 0.64 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.72 4.53 0.00 4.05 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 E 8.86 4.26 0.00 2.20 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 2.44 2.53 0.00 5 G 8.09 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 6 E 7.94 3.97 0.00 1.86 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 2.22 2.26 0.00 7 W 8.03 4.37 0.00 3.57 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 8.54 4.16 0.00 2.35 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.46 2.67 0.00 9 L 8.09 4.11 0.00 1.89 1.76 0.90 0.80 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 10 V 8.03 3.74 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.95 0.00 0.00 11 L 8.77 4.34 0.00 1.90 1.82 0.96 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.38 4.25 0.00 3.42 3.43 0.00 5.79 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 13 V 7.75 3.37 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 0.97 0.00 0.00 1.30 0.00 0.00 14 W 8.44 3.72 0.00 3.70 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 15 A 8.21 3.98 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 16 K 7.21 3.92 0.00 1.37 1.66 0.00 1.64 0.00 0.00 1.47 0.00 0.00 2.72 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.44 7.81 17 V 7.04 2.95 0.98 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 -0.16 0.00 0.00 0.41 0.00 0.00 18 E 7.66 3.75 0.00 1.98 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 2.22 0.00 19 A 7.12 4.11 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 20 D 7.77 4.67 0.00 2.72 2.52 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 21 V 7.84 3.47 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.91 0.00 0.00 22 A 7.97 4.05 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 8.26 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 24 H 8.36 4.10 0.00 3.13 3.27 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 25 G 8.22 3.73 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 0.00 26 Q 8.01 3.89 0.00 2.22 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.70 0.00 0.00 0.00 0.00 0.00 2.30 2.47 0.00 27 D 7.89 4.30 0.00 2.95 2.66 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 28 I 7.90 3.65 1.91 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 1.53 0.74 0.91 0.00 0.00 29 L 7.79 3.49 0.00 1.41 0.93 0.87 0.64 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 30 I 7.73 3.63 1.88 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 1.40 0.55 0.88 0.00 0.00 31 R 7.78 3.81 0.00 1.86 2.04 0.00 2.94 0.00 0.00 2.94 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 32 L 7.89 3.90 0.00 1.69 1.39 1.09 1.33 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 33 F 7.86 4.66 0.00 3.05 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 34 K 7.91 4.07 0.00 1.84 1.83 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.66 7.81 35 S 8.08 4.20 0.00 3.72 3.50 0.00 0.00 0.00 0.00 0.00 0.00 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 8.37 4.80 0.00 3.04 3.01 0.00 5.65 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 37 P 0.00 4.47 0.00 2.18 2.16 0.00 3.89 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 2.13 2.04 0.00 38 E 8.43 4.06 0.00 2.32 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 0.00 2.37 2.62 0.00 39 T 8.31 3.76 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 0.74 0.00 0.00 40 L 7.96 3.59 0.00 1.47 1.79 0.30 0.85 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 41 E 7.86 4.12 0.00 2.22 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 2.38 2.40 0.00 42 K 7.96 3.99 0.00 1.83 1.64 0.00 1.82 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.72 1.88 7.81 43 F 8.28 4.32 0.00 2.93 2.14 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 44 D 8.46 4.61 0.00 2.57 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 45 R 7.56 4.42 0.00 1.94 1.98 0.00 3.01 0.00 0.00 3.41 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.62 0.00 46 F 7.72 5.03 0.00 2.81 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 47 K 7.47 4.61 0.00 1.93 1.85 0.00 1.97 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.43 1.50 7.81 48 H 8.22 4.48 0.00 3.29 3.46 0.00 5.58 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 49 L 7.69 4.11 0.00 1.56 1.59 0.87 0.79 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 50 K 9.22 4.22 0.00 1.70 1.85 0.00 1.65 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.47 7.81 51 T 7.49 4.75 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 1.20 0.00 0.00 52 E 8.69 3.95 0.00 2.05 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 2.35 2.36 0.00 53 A 7.89 3.98 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 54 E 7.87 3.95 0.00 2.11 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 2.33 2.33 0.00 55 M 7.78 4.12 0.00 2.06 2.23 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.96 2.56 0.00 56 K 8.16 3.89 0.00 1.88 1.85 0.00 1.54 0.00 0.00 1.90 0.00 0.00 3.22 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.47 7.81 57 A 7.56 4.41 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 S 7.29 4.51 0.00 3.86 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 59 E 8.74 3.99 0.00 2.12 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 2.38 2.46 0.00 60 D 8.06 4.42 0.00 2.93 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 61 L 7.43 2.85 0.00 0.89 1.45 0.79 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.72 3.86 0.00 1.77 1.89 0.00 1.66 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.45 7.81 63 K 8.43 4.10 0.00 2.06 1.91 0.00 1.78 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.49 1.71 7.81 64 G 8.84 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 65 G 8.37 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 V 7.85 3.68 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 1.15 0.00 0.00 0.96 0.00 0.00 67 T 8.02 3.92 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 68 V 8.10 3.67 2.32 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 1.16 0.00 0.00 1.17 0.00 0.00 69 L 8.45 4.22 0.00 1.79 1.91 0.99 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.39 3.94 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 1.26 0.00 0.00 71 A 8.21 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 8.43 3.67 0.00 1.62 1.72 0.24 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.75 3.41 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 0.00 74 A 7.75 4.08 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 75 I 7.46 3.85 1.82 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.82 0.87 0.00 0.00 76 L 7.97 4.04 0.00 1.42 1.62 -0.07 0.83 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 7.69 4.02 0.00 1.67 1.79 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.15 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.47 1.44 7.81 78 K 7.89 3.91 0.00 1.77 1.91 0.00 1.75 0.00 0.00 1.77 0.00 0.00 2.90 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.63 1.79 7.81 79 K 8.05 2.00 0.00 1.34 0.74 0.00 1.51 0.00 0.00 1.47 0.00 0.00 2.74 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.30 0.76 7.81 80 G 8.09 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 81 H 7.94 5.05 0.00 3.10 3.22 0.00 5.79 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 7.09 5.10 0.00 3.35 3.46 0.00 5.68 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.45 3.95 0.00 2.09 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 2.42 2.49 0.00 84 A 7.92 4.05 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 8.17 4.10 0.00 2.26 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 2.40 2.47 0.00 86 L 8.05 3.94 0.00 2.09 1.74 1.02 0.86 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 87 K 7.90 4.18 0.00 1.77 1.88 0.00 1.69 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.63 7.81 88 P 0.00 4.28 0.00 2.30 2.34 0.00 3.82 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.06 0.00 89 L 7.46 3.96 0.00 1.96 1.94 1.04 1.32 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 90 A 8.98 4.30 1.49 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 0.00 0.00 0.00 0.00 0.00 0.00 91 Q 8.12 3.86 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 92 S 8.10 4.05 0.00 3.88 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 H 8.36 4.10 0.00 3.63 3.63 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 7.81 2.58 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 7.32 3.92 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 96 K 7.29 4.14 0.00 1.51 1.66 0.00 1.56 0.00 0.00 1.62 0.00 0.00 3.08 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.11 1.30 7.81 97 H 8.01 4.27 0.00 2.97 3.14 0.00 5.79 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.63 3.37 0.00 1.82 1.89 0.00 1.69 0.00 0.00 1.61 0.00 0.00 2.86 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.16 1.28 7.81 99 I 7.43 4.18 2.14 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 1.55 0.99 1.16 0.00 0.00 100 P 0.00 4.51 0.00 1.92 1.95 0.00 3.11 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 1.44 0.00 101 I 8.23 3.58 1.77 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.69 0.82 0.00 0.00 102 K 7.99 3.57 0.00 1.69 1.60 0.00 1.31 0.00 0.00 1.68 0.00 0.00 3.06 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.39 0.70 7.81 103 Y 8.05 4.15 0.00 3.13 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 4.19 0.00 1.80 1.79 0.66 1.15 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 0.00 105 E 8.16 4.04 0.00 2.11 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 2.35 2.33 0.00 106 F 7.99 4.47 0.00 3.16 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 0.00 107 I 8.06 3.80 2.02 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 1.60 1.40 1.10 0.00 0.00 108 S 8.43 4.26 0.00 4.23 4.01 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 0.00 109 E 8.24 3.98 0.00 2.34 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 2.37 2.40 0.00 110 A 8.11 4.09 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 0.00 111 I 7.94 3.67 2.13 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.75 1.03 0.00 0.00 112 I 8.00 3.81 2.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.09 1.13 0.00 0.00 113 H 8.22 4.14 0.00 3.44 3.50 0.00 5.79 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.74 3.55 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 0.93 0.00 0.00 1.02 0.00 0.00 115 L 7.93 3.85 0.00 0.74 0.72 0.81 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 116 H 7.95 4.39 0.00 3.54 3.65 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 7.95 4.20 0.00 3.89 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 0.00 118 R 7.85 3.97 0.00 1.58 1.53 0.00 2.80 0.00 0.00 2.97 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.50 0.00 119 H 8.00 5.00 0.00 3.23 3.23 0.00 5.62 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 0.00 120 P 0.00 4.28 0.00 2.21 2.26 0.00 3.74 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.92 0.00 121 G 8.08 3.73 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 0.00 122 N 8.35 4.88 0.00 2.78 2.96 0.00 0.00 6.71 8.11 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 0.00 123 F 7.73 4.98 0.00 3.04 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 0.00 124 G 7.53 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 A 8.36 3.85 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 8.08 4.23 0.00 2.64 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 0.00 127 A 7.73 3.97 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 7.92 3.42 0.00 1.02 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 129 G 8.01 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 A 7.91 3.89 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 0.00 131 M 8.21 4.00 0.00 2.44 2.42 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.86 0.00 132 N 8.51 4.30 0.00 2.88 2.94 0.00 0.00 6.81 6.84 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 0.00 133 K 8.11 3.81 0.00 2.00 1.71 0.00 1.60 0.00 0.00 1.58 0.00 0.00 2.83 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.39 7.81 134 A 8.05 3.88 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 0.00 135 L 8.30 4.12 0.00 1.89 1.83 0.99 1.14 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 0.00 136 E 8.70 3.98 0.00 2.11 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 2.70 0.00 137 L 8.39 3.98 0.00 1.76 2.00 1.15 1.02 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 0.00 138 F 8.49 4.16 0.00 3.07 3.23 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 0.00 139 R 8.12 3.38 0.00 2.06 1.82 0.00 3.14 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.68 0.00 140 K 8.08 3.83 0.00 1.78 1.99 0.00 1.62 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.44 7.81 141 D 7.95 4.33 0.00 2.82 2.71 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 0.00 0.00 0.00 142 I 7.58 3.54 1.31 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.18 0.12 0.00 0.00 143 A 7.96 3.61 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 8.14 4.00 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 0.00 145 K 8.02 4.02 0.00 2.08 1.95 0.00 1.59 0.00 0.00 1.70 0.00 0.00 3.08 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.55 7.81 146 Y 8.40 4.33 0.00 3.23 3.15 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 0.00 147 K 8.17 3.93 0.00 2.13 1.84 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.50 7.81 148 E 7.94 4.06 0.00 2.22 2.02 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 2.36 2.50 0.00 149 L 7.63 4.38 0.00 1.75 1.69 0.96 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 150 G 7.71 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 Y 7.92 4.92 0.00 2.42 2.71 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 0.00 0.00 0.00 152 Q 8.26 2.71 0.00 1.85 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.34 0.00 0.00 0.00 0.00 0.00 1.70 1.16 0.00 153 G 8.12 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 0.00 0.00 0.00 0.00