NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4173 8.3344 115.4115 58.0129 64.3738 174.6617 2 M 4.2037 8.2166 120.6786 55.8397 29.1050 173.7596 3 Q 4.1204 8.2017 121.1927 56.6921 30.5076 175.1765 4 D 4.5760 7.6749 116.4676 50.7641 42.9153 173.6366 5 P 4.0838 0.0000 0.0000 65.7639 31.4083 178.0466 6 I 3.5854 7.8710 119.0928 64.1893 36.9787 177.5968 7 A 3.9127 8.2194 121.2395 55.4457 18.1050 179.0326 8 D 4.4916 7.5047 117.0778 57.1314 41.2716 178.0626 9 M 3.9483 7.7853 118.0152 58.6738 32.0533 178.1253 10 L 3.9009 8.0225 119.1665 57.9963 41.7612 179.5319 11 T 3.8325 8.5356 110.1613 65.0849 68.4982 176.3810 12 R 3.9310 8.5584 121.3755 58.8800 29.9959 179.0645 13 I 3.6701 7.5835 119.2917 64.3762 37.2288 178.6320 14 R 3.8924 7.7076 116.9011 59.5472 29.0239 178.4684 15 N 4.4601 8.3495 116.6135 55.7223 38.7434 177.4098 16 G 3.7520 7.8505 106.9122 47.9608 0.0000 175.7300 17 Q 4.1334 8.0429 119.5067 58.8074 28.7331 179.0715 18 A 4.2803 7.8122 120.0655 54.3776 19.0324 178.4942 19 A 4.3380 8.0966 117.1774 51.4356 18.5127 177.4499 20 N 4.3164 8.2192 113.1242 54.0449 36.4423 174.5406 21 K 4.0255 7.5574 116.3527 56.4315 32.6888 176.8273 22 A 4.2229 8.8881 126.7113 55.0176 19.1082 175.7845 23 A 4.9958 7.2678 119.2565 51.7254 22.3885 174.8363 24 V 4.3443 8.1667 110.2460 62.0230 35.0758 172.6292 25 T 5.7279 9.4713 113.0022 58.6555 71.8905 172.6036 26 M 4.4568 8.0578 121.7109 54.2150 33.1209 172.8756 27 P 5.0871 0.0000 0.0000 62.5894 31.8758 176.4636 28 S 4.6426 8.7119 120.2072 57.8223 64.7083 173.0436 29 S 4.5146 8.5314 111.4478 56.4591 64.3852 176.6555 30 K 3.8481 7.9986 120.9396 60.1877 31.8003 178.1167 31 L 3.8717 7.7960 119.3130 58.2292 42.3119 178.9429 32 K 3.7560 7.5662 117.1061 59.7177 31.9385 179.2570 33 V 3.3537 8.0235 117.8897 65.8328 31.6149 177.5035 34 A 3.9611 7.8326 120.5070 55.4830 18.1606 179.5223 35 I 3.5207 7.8981 117.7428 64.6759 37.2897 178.4122 36 A 3.8044 7.7688 121.3202 55.1530 17.9541 179.0259 37 N 4.0951 8.0124 115.7855 56.9979 39.1515 177.1113 38 V 3.7578 7.7266 119.3069 66.2461 31.4794 178.0787 39 L 4.2451 7.8750 118.6827 57.1986 41.3877 179.3187 40 K 4.2414 7.7640 120.4949 58.8726 32.2228 178.7546 41 E 4.0408 8.5308 117.5746 58.9895 29.4170 178.3913 42 E 4.3204 8.1560 116.5374 55.7171 31.4036 175.8249 43 G 3.5760 8.5627 106.6007 45.7999 0.0000 173.2840 44 F 4.9537 8.3181 113.5522 56.8499 42.6990 175.8971 45 I 4.5992 7.6210 113.9144 59.0043 39.7369 174.6287 46 E 3.8617 7.6268 125.0561 59.2642 30.1428 177.6195 47 D 4.8708 8.6870 115.6518 54.3053 45.4164 173.0125 48 F 5.8186 7.9297 111.8295 56.7277 40.6118 173.7820 49 K 4.5372 8.4329 121.8640 55.0543 35.6274 175.0242 50 V 4.3422 8.5192 127.7918 60.7994 32.0955 175.5015 51 E 4.3660 8.6321 127.7936 56.0210 32.7543 171.7689 52 G 4.6232 8.5937 115.5287 45.6580 0.0000 172.7670 53 D 4.5313 7.9873 123.8335 56.4680 41.8823 177.7796 54 T 3.9374 7.7624 116.4423 64.0457 68.2149 174.7028 55 K 4.4422 7.7074 121.6449 53.3998 32.7316 173.0643 56 P 4.9210 0.0000 0.0000 63.0027 32.3662 175.3796 57 E 5.2478 8.3912 123.3556 55.3374 33.6504 174.2292 58 L 4.5897 8.1033 113.5871 54.8316 44.2242 174.2833 59 E 4.3967 9.6763 126.7642 55.9270 27.7847 173.4607 60 L 4.6690 9.0765 124.5846 54.0311 43.5883 175.0723 61 T 4.8058 8.5248 117.7846 60.7210 70.4876 174.1594 62 L 4.4240 8.3214 126.8526 54.2593 42.7879 176.3535 63 K 4.6926 8.3943 123.8103 55.3196 34.7641 174.7874 64 Y 5.1014 8.3547 121.7906 56.1881 41.9625 173.4881 65 F 4.6250 8.6059 128.5817 59.1194 39.9506 177.9262 66 Q 4.3245 7.8507 118.4672 55.9143 28.9662 178.5005 67 G 3.8308 8.4827 112.1379 45.1832 0.0000 171.3963 68 K 4.1786 7.2453 118.2064 55.9390 35.2336 172.9562 69 A 4.7991 8.5371 124.4616 50.9703 19.8510 177.9420 70 V 3.7112 7.9212 120.1109 65.6139 31.6828 176.9415 71 V 4.0051 8.0718 120.9438 61.6057 29.8274 174.8970 72 E 4.1754 8.5130 124.7630 58.4734 30.5447 177.9024 73 S 4.5399 8.5944 114.4847 57.0372 66.3691 173.4149 74 I 4.6574 7.9178 127.9634 59.9837 40.6601 173.8259 75 Q 4.6334 8.4887 127.0306 53.9213 33.4518 174.6550 76 R 4.0770 8.4048 121.1702 56.6944 30.7405 174.2310 77 V 3.9334 7.9844 119.1877 63.3761 32.7454 176.2794 78 S 4.3109 7.3301 118.0264 57.4963 61.8388 174.3820 79 R 4.0219 7.4301 116.7788 55.1757 30.3664 174.4302 80 P 4.3339 0.0000 0.0000 63.0453 31.9098 177.1856 81 G 3.9304 8.6291 104.3632 45.8918 0.0000 173.9405 82 L 4.4985 7.1103 115.1786 54.7533 44.3316 173.5738 83 R 4.1500 7.9922 121.7741 55.6513 31.3932 176.3780 84 I 4.5571 8.1680 119.5681 60.3621 41.2636 174.0671 85 Y 4.8533 8.8749 124.7952 56.2159 40.0458 175.5626 86 K 4.6667 8.7197 123.4811 54.9029 35.5669 176.0956 87 R 4.8067 8.2771 120.7221 54.6720 31.8660 177.9390 88 K 4.0722 8.8711 119.5303 59.1577 32.4202 177.2272 89 D 4.9236 8.0461 116.9060 53.0285 39.7707 175.9933 90 E 4.4954 8.5274 119.0254 56.3798 31.2118 176.2960 91 L 3.8833 8.1083 118.3780 54.5345 41.9281 175.4604 92 P 4.3397 0.0000 0.0000 62.5735 31.9704 176.6090 93 K 4.2439 7.9634 119.9044 54.1134 31.8619 175.9682 94 V 3.2490 7.8434 123.5009 64.4355 32.3797 175.7593 95 M 3.1428 9.4582 124.8297 57.3539 30.5155 176.6551 96 A 3.8238 9.1057 115.2668 52.7257 17.1110 177.4307 97 G 3.8919 8.2511 109.4969 47.1174 0.0000 176.5307 98 L 4.0622 8.2855 118.7310 55.7293 41.7612 176.2033 99 G 4.3748 7.3562 107.1448 43.3188 0.0000 171.9609 100 I 4.8706 8.6401 111.1377 59.0200 41.5718 174.7415 101 A 5.1138 9.1005 125.6502 48.8247 21.2663 175.3021 102 V 3.9623 8.4043 121.7888 64.2092 32.7939 174.8302 103 V 4.7704 8.7693 128.4393 61.0558 34.8830 174.4170 104 S 4.7283 9.3007 123.6069 57.7985 62.9631 173.2336 105 T 4.7585 8.7148 118.6316 59.7907 71.3080 175.6620 106 S 4.4316 8.7485 114.3557 59.6048 62.1995 174.2342 107 K 4.4437 8.2522 116.5831 56.1676 32.9880 174.7274 108 G 3.8601 7.4743 106.0146 43.4704 0.0000 173.6244 109 V 4.4403 8.0257 120.4703 62.0926 31.1720 174.2201 110 M 5.0922 8.3846 127.6947 53.6158 34.7684 174.7278 111 T 4.9645 8.2601 107.6339 60.5646 71.6926 175.1669 112 D 4.3373 8.7625 123.3620 57.0597 39.2294 178.8261 113 R 3.8488 7.6359 119.6449 58.9184 30.0258 177.9169 114 A 3.9399 7.8247 119.5517 55.1437 18.3582 179.0752 115 A 3.9310 8.4613 119.0512 55.4715 18.4727 179.3822 116 R 3.8028 8.5780 117.1881 60.0454 29.8362 178.4456 117 Q 3.9712 7.7622 115.5357 59.0947 28.9189 178.6989 118 A 4.1537 7.8287 120.2032 53.4304 18.2531 178.3087 119 G 3.8776 8.1883 104.8374 45.5566 0.0000 172.9534 120 L 4.8079 7.6962 118.1659 53.5865 43.2148 176.1639 121 G 4.0443 8.3488 108.5960 45.2716 0.0000 171.6259 122 G 4.1845 7.5829 103.1072 46.3824 0.0000 171.2254 123 E 4.8785 8.0200 121.9882 53.9839 30.8493 177.5173 124 I 4.1296 8.2428 127.7121 62.2466 37.7920 175.3620 125 I 4.6203 8.3044 119.1447 62.8703 42.9931 175.1685 126 C 4.6351 7.4489 113.6891 57.9073 32.2101 172.9081 127 Y 5.2858 8.2514 117.4418 56.3598 37.0028 174.5915 128 V 3.7701 8.1807 119.0816 62.0400 32.8104 176.0644 129 A 4.3066 8.1941 130.5419 52.3195 18.8168 176.5246 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 S 8.33 4.42 0.00 3.99 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 2 M 8.22 4.20 0.00 2.05 2.04 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.67 0.00 3 Q 8.20 4.12 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.72 0.00 0.00 0.00 0.00 0.00 2.33 2.53 0.00 4 D 7.67 4.58 0.00 2.61 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.08 0.00 2.28 2.27 0.00 3.75 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.04 0.00 6 I 7.87 3.59 1.96 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 1.53 0.76 0.85 0.00 0.00 7 A 8.22 3.91 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 8 D 7.50 4.49 0.00 2.60 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 9 M 7.79 3.95 0.00 2.23 2.01 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.54 0.00 10 L 8.02 3.90 0.00 1.81 1.63 0.84 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 11 T 8.54 3.83 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 1.20 0.00 0.00 12 R 8.56 3.93 0.00 2.03 2.03 0.00 3.40 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 13 I 7.58 3.67 2.01 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 1.55 0.71 0.86 0.00 0.00 14 R 7.71 3.89 0.00 1.96 2.15 0.00 2.77 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.66 0.00 15 N 8.35 4.46 0.00 2.92 2.94 0.00 0.00 7.05 8.36 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 16 G 7.85 3.75 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 0.00 0.00 0.00 17 Q 8.04 4.13 0.00 2.20 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.93 0.00 0.00 0.00 0.00 0.00 2.51 2.48 0.00 18 A 7.81 4.28 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 19 A 8.10 4.34 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 20 N 8.22 4.32 0.00 2.83 2.75 0.00 0.00 7.05 7.61 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 21 K 7.56 4.03 0.00 1.96 1.93 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.58 7.81 22 A 8.89 4.22 1.34 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 0.00 0.00 0.00 0.00 0.00 23 A 7.27 5.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 V 8.17 4.34 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 0.73 0.00 0.00 0.94 0.00 0.00 25 T 9.47 5.73 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 1.24 0.00 0.00 26 M 8.06 4.46 0.00 2.19 2.25 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.28 0.00 27 P 0.00 5.09 0.00 2.10 2.13 0.00 3.37 0.00 0.00 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.81 0.00 28 S 8.71 4.64 0.00 3.92 4.16 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 29 S 8.53 4.51 0.00 3.95 3.94 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 0.00 0.00 0.00 30 K 8.00 3.85 0.00 1.84 1.82 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.52 1.56 7.81 31 L 7.80 3.87 0.00 1.78 1.62 0.90 0.77 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 32 K 7.57 3.76 0.00 2.10 1.83 0.00 1.83 0.00 0.00 1.55 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.45 7.81 33 V 8.02 3.35 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 1.16 0.00 0.00 1.02 0.00 0.00 34 A 7.83 3.96 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 35 I 7.90 3.52 1.92 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 1.41 0.79 0.84 0.00 0.00 36 A 7.77 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 N 8.01 4.10 0.00 2.86 2.97 0.00 0.00 6.76 7.25 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 38 V 7.73 3.76 2.17 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 1.01 0.00 0.00 1.04 0.00 0.00 39 L 7.88 4.25 0.00 1.98 1.78 0.84 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 40 K 7.76 4.24 0.00 2.09 2.19 0.00 1.95 0.00 0.00 1.98 0.00 0.00 3.09 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.52 1.78 7.81 41 E 8.53 4.04 0.00 1.97 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 2.69 2.56 0.00 42 E 8.16 4.32 0.00 2.23 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 0.00 2.54 2.57 0.00 43 G 8.56 3.58 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 0.00 0.00 0.00 44 F 8.32 4.95 0.00 3.23 2.92 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 0.00 0.00 0.00 45 I 7.62 4.60 2.09 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 1.57 0.95 0.95 0.00 0.00 46 E 7.63 3.86 0.00 2.07 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 2.43 2.38 0.00 47 D 8.69 4.87 0.00 2.76 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 F 7.93 5.82 0.00 3.08 2.98 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 49 K 8.43 4.54 0.00 1.78 1.64 0.00 1.44 0.00 0.00 1.77 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.48 7.81 50 V 8.52 4.34 2.18 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 1.06 0.00 0.00 1.01 0.00 0.00 51 E 8.63 4.37 0.00 1.97 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 2.38 2.33 0.00 52 G 8.59 4.62 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 53 D 7.99 4.53 0.00 2.68 2.62 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 54 T 7.76 3.94 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 55 K 7.71 4.44 0.00 1.80 1.73 0.00 1.74 0.00 0.00 1.87 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.33 7.81 56 P 0.00 4.92 0.00 2.13 2.19 0.00 3.64 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.97 0.00 57 E 8.39 5.25 0.00 2.08 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 2.20 2.11 0.00 58 L 8.10 4.59 0.00 1.81 1.50 0.89 0.93 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 59 E 9.68 4.40 0.00 2.16 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 2.36 2.39 0.00 60 L 9.08 4.67 0.00 1.76 1.69 0.85 1.05 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 61 T 8.52 4.81 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 1.27 0.00 0.00 62 L 8.32 4.42 0.00 1.60 1.35 0.95 0.96 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 63 K 8.39 4.69 0.00 1.96 1.80 0.00 1.64 0.00 0.00 1.82 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.49 1.52 7.81 64 Y 8.35 5.10 0.00 2.93 3.04 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 65 F 8.61 4.62 0.00 2.75 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 66 Q 7.85 4.32 0.00 1.73 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.51 0.00 0.00 0.00 0.00 0.00 1.36 1.16 0.00 67 G 8.48 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 0.00 0.00 0.00 68 K 7.25 4.18 0.00 1.84 1.72 0.00 1.67 0.00 0.00 1.88 0.00 0.00 3.02 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.34 1.43 7.81 69 A 8.54 4.80 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 70 V 7.92 3.71 2.17 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 0.90 0.00 0.00 0.98 0.00 0.00 71 V 8.07 4.01 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 0.73 0.00 0.00 0.91 0.00 0.00 72 E 8.51 4.18 0.00 2.15 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 2.29 2.27 0.00 73 S 8.59 4.54 0.00 3.84 3.69 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 74 I 7.92 4.66 1.72 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 1.14 0.78 0.84 0.00 0.00 75 Q 8.49 4.63 0.00 1.97 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.79 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 76 R 8.40 4.08 0.00 1.71 1.73 0.00 3.14 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 77 V 7.98 3.93 1.75 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 0.48 0.00 0.00 -0.23 0.00 0.00 78 S 7.33 4.31 0.00 3.70 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 79 R 7.43 4.02 0.00 1.90 1.86 0.00 3.04 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.56 0.00 80 P 0.00 4.33 0.00 2.22 2.23 0.00 3.82 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.94 0.00 81 G 8.63 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 82 L 7.11 4.50 0.00 1.57 1.50 0.90 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 83 R 7.99 4.15 0.00 2.05 1.67 0.00 3.28 0.00 0.00 3.36 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 84 I 8.17 4.56 1.73 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 1.19 0.62 0.89 0.00 0.00 85 Y 8.87 4.85 0.00 2.76 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 86 K 8.72 4.67 0.00 1.74 1.74 0.00 1.82 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.41 1.59 7.81 87 R 8.28 4.81 0.00 1.78 1.86 0.00 3.15 0.00 0.00 3.40 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.91 0.00 88 K 8.87 4.07 0.00 1.87 1.97 0.00 1.52 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.42 1.45 7.81 89 D 8.05 4.92 0.00 2.75 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 90 E 8.53 4.50 0.00 2.21 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 2.26 2.26 0.00 91 L 8.11 3.88 0.00 1.62 1.66 0.98 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 92 P 0.00 4.34 0.00 1.88 2.04 0.00 3.75 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 1.88 2.13 0.00 93 K 7.96 4.24 0.00 1.68 1.74 0.00 1.73 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.30 1.35 7.81 94 V 7.84 3.25 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 0.91 0.00 0.00 0.53 0.00 0.00 95 M 9.46 3.14 0.00 2.17 1.97 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.51 0.00 96 A 9.11 3.82 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 97 G 8.25 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 98 L 8.29 4.06 0.00 1.71 1.74 0.92 1.01 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 99 G 7.36 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 0.00 0.00 0.00 0.00 100 I 8.64 4.87 1.95 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.93 1.10 0.00 0.00 101 A 9.10 5.11 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 0.00 102 V 8.40 3.96 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 0.91 0.00 0.00 0.92 0.00 0.00 103 V 8.77 4.77 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 0.95 0.00 0.00 1.01 0.00 0.00 104 S 9.30 4.73 0.00 3.88 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 0.00 105 T 8.71 4.76 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 1.28 0.00 0.00 106 S 8.75 4.43 0.00 3.87 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 0.00 107 K 8.25 4.44 0.00 1.78 1.76 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.49 7.81 108 G 7.47 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 0.00 109 V 8.03 4.44 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 0.83 0.00 0.00 0.92 0.00 0.00 110 M 8.38 5.09 0.00 2.09 2.19 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.45 0.00 111 T 8.26 4.96 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 1.24 0.00 0.00 112 D 8.76 4.34 0.00 2.89 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 0.00 113 R 7.64 3.85 0.00 1.88 1.99 0.00 3.26 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.81 0.00 114 A 7.82 3.94 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 A 8.46 3.93 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 116 R 8.58 3.80 0.00 1.99 2.13 0.00 3.10 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.85 0.00 117 Q 7.76 3.97 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.71 0.00 0.00 0.00 0.00 0.00 2.40 2.61 0.00 118 A 7.83 4.15 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 0.00 119 G 8.19 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 0.00 120 L 7.70 4.81 0.00 1.60 1.61 0.93 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 121 G 8.35 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 0.00 122 G 7.58 4.18 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 0.00 0.00 0.00 123 E 8.02 4.88 0.00 1.64 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 2.01 1.76 0.00 124 I 8.24 4.13 1.80 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 1.41 0.65 1.03 0.00 0.00 125 I 8.30 4.62 2.02 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 1.21 1.46 0.84 0.00 0.00 126 C 7.45 4.64 0.00 2.92 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 0.00 127 Y 8.25 5.29 0.00 2.77 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 0.00 128 V 8.18 3.77 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.72 0.00 0.00 129 A 8.19 4.31 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