NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0206 8.0544 120.3927 63.0989 32.6702 173.6306 2 H 4.4440 8.3832 119.1033 54.1180 31.8585 171.6195 3 L 4.4327 8.1151 127.9563 54.0361 43.5740 177.3091 4 T 4.0970 8.4640 113.9268 60.9770 70.7489 173.7574 5 P 4.2209 0.0000 0.0000 65.8796 31.3921 178.7075 6 E 3.9781 8.1656 115.7732 59.5499 29.3537 179.0203 7 E 3.9154 8.0440 119.3730 59.0463 29.5623 179.2952 8 K 3.8528 8.0085 118.5326 59.6694 32.0407 179.5733 9 S 4.1324 8.0452 115.0269 61.4278 62.7025 176.6733 10 A 3.9850 7.8980 123.6236 54.9364 18.1445 179.7875 11 V 3.3908 7.7036 116.7719 66.3909 31.6866 178.3646 12 T 3.9188 7.9259 115.0628 66.5844 68.1132 176.2711 13 A 4.0318 7.9380 121.2557 55.3401 18.7228 179.0936 14 L 3.8390 8.0680 118.6615 58.0741 42.1841 179.0056 15 W 4.3930 8.7949 128.3117 60.0407 30.4592 177.9109 16 G 3.8402 8.1254 104.2227 46.4772 0.0000 174.6355 17 K 4.4744 7.7049 118.9416 55.3476 32.8876 176.2608 18 V 3.7752 6.9916 120.4862 61.6432 32.2262 176.1480 19 N 4.4792 8.2015 125.5448 52.3291 38.1625 175.1234 20 V 3.4896 8.0659 126.9145 65.9327 31.7098 177.0334 21 D 4.3621 8.1022 118.0466 57.2294 40.7875 178.4002 22 E 3.8479 8.7303 118.4206 59.6630 29.4809 179.4586 23 V 3.5601 8.0767 120.3487 64.9945 31.5065 178.1507 24 G 3.7263 8.5627 106.2416 47.9135 0.0000 176.0020 25 G 3.6177 8.0442 108.6031 47.1333 0.0000 175.5173 26 E 3.8805 8.1208 121.3697 59.0228 29.6808 178.8261 27 A 3.9081 8.2461 121.2534 55.1021 18.5239 179.4303 28 L 4.0238 8.0591 119.0870 57.8111 42.1438 179.2728 29 G 3.5515 8.1255 105.8315 48.0238 0.0000 175.8675 30 R 3.8892 8.1826 121.4208 58.5744 29.9231 178.9956 31 L 4.0515 8.0334 120.1734 58.2733 42.2184 179.1371 32 L 4.0718 7.8125 120.0381 56.7623 41.2301 179.7062 33 V 3.5207 7.4350 117.8168 65.8146 31.6644 177.9201 34 V 3.5448 7.8295 116.8916 64.1690 32.8416 175.6191 35 Y 3.6369 7.3677 115.7327 53.8930 37.8989 173.9366 36 P 4.9158 0.0000 0.0000 64.3268 31.9055 177.6614 37 W 4.3557 7.9242 114.8891 58.9416 27.5630 177.7166 38 T 4.2675 7.8502 111.1053 63.9816 68.3956 176.1544 39 Q 4.1684 8.4215 121.7263 58.0019 28.4758 177.9643 40 R 4.0063 7.5156 116.6192 59.0598 29.1506 177.8327 41 F 4.1522 6.7510 115.3056 57.3898 39.4497 175.4766 42 F 4.8005 8.0214 118.8625 56.9397 39.8497 176.9341 43 E 4.1330 8.5493 121.8375 58.7303 29.0652 178.1774 44 S 4.7309 8.1264 111.8070 58.3112 63.8353 175.3310 45 F 4.2493 8.3381 119.8524 58.5213 39.9046 175.8140 46 G 4.0471 7.3803 106.1607 44.2604 0.0000 174.5964 47 D 4.6615 8.5918 125.3160 53.6463 41.0767 175.8291 48 L 4.9230 8.3256 125.8850 54.5379 43.4005 178.6565 49 S 4.3335 8.4283 116.6351 60.5936 63.4833 174.5312 50 T 4.7353 7.2743 107.3206 58.1171 73.0506 172.7908 51 P 4.1747 0.0000 0.0000 66.1053 31.3712 178.4496 52 D 4.3231 8.1458 116.5482 57.4250 40.7841 178.7613 53 A 3.9574 8.2238 121.2352 55.1268 18.1917 179.7645 54 V 3.5390 8.1071 115.7021 66.6449 31.7107 178.0036 55 M 4.2738 8.5478 117.3100 57.7606 31.8536 178.2609 56 G 3.8758 8.2245 104.5700 44.5526 0.0000 173.5653 57 N 4.4214 7.6933 121.6664 52.8719 39.4288 173.9480 58 P 4.3021 0.0000 0.0000 65.7383 31.4169 178.7823 59 K 3.6773 8.1777 118.6120 58.8344 31.7328 179.4637 60 V 3.6587 7.8583 118.1014 66.0177 31.5821 177.8173 61 K 3.8047 7.9586 117.9818 59.4991 32.0493 178.9570 62 A 3.9402 8.1090 121.0304 55.2681 18.3069 179.5266 63 L 4.1560 8.3893 119.2865 57.9853 42.1461 178.9593 64 G 3.8753 8.7789 106.4210 48.1566 0.0000 175.4633 65 K 3.9625 8.4359 121.5650 59.1717 32.0876 179.6224 66 K 4.0604 7.6642 117.6637 59.2224 32.0487 179.7139 67 V 3.6552 8.2811 118.9569 66.1533 31.5329 178.0150 68 L 4.3317 8.3495 120.0512 57.5967 41.8920 178.9654 69 G 3.8320 8.4778 106.1382 48.0036 0.0000 175.5744 70 A 4.1528 8.3289 123.5612 54.4457 18.1562 179.4370 71 F 4.1106 8.3513 118.5564 61.5620 39.8440 176.7056 72 S 4.1881 9.2449 113.7472 61.8581 62.2071 175.7873 73 D 4.4929 8.3530 121.3018 57.5737 40.6557 179.2971 74 G 3.5717 8.1589 105.4454 47.1178 0.0000 175.1190 75 L 3.8961 7.3207 119.5109 56.3889 41.6159 178.4601 76 A 4.0526 7.6622 120.4990 53.5841 19.7815 177.1021 77 H 5.0954 7.6739 113.3129 53.6792 29.0340 175.0936 78 L 4.0084 7.6482 119.1839 57.2639 41.8395 178.6660 79 D 4.5271 7.9438 116.8229 54.4582 40.6775 175.8703 80 N 5.1927 7.8600 118.6872 51.8468 40.0850 174.6945 81 L 4.0944 7.8568 122.9211 57.7980 42.2951 178.8951 82 K 3.9610 8.2730 118.0724 59.8557 31.7695 179.1730 83 G 3.5848 8.1003 104.2546 48.3311 0.0000 175.0646 84 T 3.7673 7.9322 117.5023 65.4249 68.6077 175.5403 85 F 4.7331 8.0766 116.4562 56.7778 39.8145 176.9196 86 A 4.0772 7.7622 122.5119 55.7625 18.1497 179.9586 87 T 4.0263 7.8311 107.2207 64.5275 69.2567 177.0045 88 L 4.1557 7.9542 121.4213 57.4444 41.7251 178.7113 89 S 4.3990 8.3683 115.1680 60.8866 62.2732 175.7230 90 E 3.8800 8.4004 120.9387 59.4900 29.3423 179.3945 91 L 3.9307 7.8347 119.7505 58.7031 42.1853 178.8587 92 H 4.1940 8.7891 116.3764 58.7444 28.1031 177.2673 93 C 3.6574 7.8547 120.7065 62.2935 31.1831 175.3895 94 D 4.1443 8.6361 120.3435 56.3063 40.4844 177.2663 95 K 4.3251 7.8175 116.5430 57.7174 34.1251 177.6105 96 L 4.0336 7.7842 116.6808 55.6780 42.2891 176.4050 97 H 4.1777 7.1958 114.2202 56.7338 26.4988 175.4368 98 V 4.2197 8.0115 118.2159 60.8605 32.5016 174.7436 99 D 4.3050 8.9080 127.1878 54.0057 41.5625 175.2417 100 P 2.9700 0.0000 0.0000 64.8853 31.7774 178.0066 101 E 3.8621 8.1298 118.8124 59.1651 29.2530 178.4084 102 N 4.2569 8.0009 116.9517 56.3334 38.5134 177.2636 103 F 4.4776 7.3732 119.1137 60.5548 38.9177 177.9860 104 R 4.0182 7.8125 117.4335 59.0154 29.9390 178.7944 105 L 3.7645 7.9293 118.8677 57.6302 41.5902 179.3364 106 L 4.0473 8.1950 120.5118 58.0680 42.1058 179.1469 107 G 3.7403 8.1853 105.7293 47.9993 0.0000 175.3893 108 N 4.4970 8.2800 118.7610 55.8396 38.6378 177.7300 109 V 3.6369 8.0989 119.9728 65.7795 31.5053 177.7981 110 L 3.8526 8.3930 120.4834 58.0926 41.8626 178.9427 111 V 3.5490 7.6769 117.9312 66.4502 31.3662 177.6523 112 C 4.0281 8.0371 116.2297 62.9534 27.8580 176.4369 113 V 3.5181 7.7788 119.7425 65.7470 31.0786 178.1408 114 L 3.7938 8.0300 119.0321 57.5164 41.3809 179.2638 115 A 3.6989 7.3268 120.7932 55.3284 18.0834 179.2148 116 H 4.1086 8.1391 115.9389 59.5092 29.9850 176.7803 117 H 3.9974 8.1195 119.3274 58.8030 29.8817 176.5541 118 F 4.6101 8.6420 118.1942 56.5495 39.7750 177.2604 119 G 3.9566 8.7185 108.6571 46.0020 0.0000 177.1317 120 K 3.9734 8.9164 121.5077 59.4781 32.5182 177.7611 121 E 4.0081 7.8939 120.0366 59.1385 30.0340 177.4647 122 F 4.5574 8.2635 122.2163 57.2610 37.7370 174.9714 123 T 4.1020 7.3132 115.1614 60.7615 71.2378 173.2451 124 P 4.1326 0.0000 0.0000 65.6189 31.4091 177.2358 125 P 4.2658 0.0000 0.0000 65.1681 31.2921 178.8301 126 V 3.5632 7.4451 117.2254 65.9452 31.4105 177.8174 127 Q 3.6112 7.7711 119.3386 59.0891 28.3308 178.1351 128 A 4.0846 8.0213 121.4980 54.9716 18.4439 179.5918 129 A 3.9091 7.9264 118.9859 55.7092 18.5290 179.5979 130 Y 4.0105 8.3390 115.2254 61.1573 37.8681 178.7709 131 Q 4.2266 8.7893 119.7766 58.7903 28.6868 178.7917 132 K 3.9852 7.8288 118.9383 59.2871 32.0774 179.6015 133 V 3.4798 7.5983 118.1292 66.2123 31.4878 178.6115 134 V 3.9124 8.4391 112.4060 64.3339 31.3081 178.4879 135 A 4.1158 8.3922 120.8947 55.0140 18.1654 179.9523 136 G 3.5030 8.2867 104.5590 47.8472 0.0000 176.2155 137 V 3.2474 8.2525 120.9723 65.3920 31.6606 177.7900 138 A 3.9714 8.0282 120.5883 55.3417 18.1074 179.1419 139 N 4.2446 8.4947 114.9652 56.6509 38.4669 177.3896 140 A 4.0398 7.8419 120.4703 55.3529 18.7087 179.4757 141 L 4.0006 8.2516 117.3235 57.0879 41.6994 178.7139 142 A 4.4494 7.8856 119.2754 53.3535 18.8679 178.6255 143 H 4.2878 8.0127 116.7551 58.6269 30.0159 175.8612 144 K 4.3988 8.1213 117.5424 56.3693 32.3506 176.6004 145 Y 4.0760 7.9729 117.3352 58.6712 38.4272 175.9626 146 H 4.3873 8.3640 116.7478 56.4315 27.9871 173.6705 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 V 8.05 4.02 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 0.96 0.00 0.00 0.96 0.00 0.00 2 H 8.38 4.44 0.00 3.15 3.11 0.00 5.78 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.12 4.43 0.00 1.56 1.50 0.79 0.96 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 4 T 8.46 4.10 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 1.25 0.00 0.00 5 P 0.00 4.22 0.00 2.16 2.13 0.00 3.59 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 2.11 2.14 0.00 6 E 8.17 3.98 0.00 2.14 2.20 0.00 0.00 0.00 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 2.34 0.00 7 E 8.04 3.92 0.00 2.25 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 0.00 2.29 2.32 0.00 8 K 8.01 3.85 0.00 1.87 1.78 0.00 1.60 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.63 7.81 9 S 8.05 4.13 0.00 4.04 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 10 A 7.90 3.99 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 11 V 7.70 3.39 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 0.57 0.00 0.00 0.44 0.00 0.00 12 T 7.93 3.92 4.39 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 1.25 0.00 0.00 13 A 7.94 4.03 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 14 L 8.07 3.84 0.00 1.97 1.98 0.30 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 15 W 8.79 4.39 0.00 3.87 3.22 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 0.00 16 G 8.13 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 0.00 0.00 0.00 17 K 7.70 4.47 0.00 2.14 2.15 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.48 1.62 7.81 18 V 6.99 3.78 1.13 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 -0.02 0.00 0.00 0.64 0.00 0.00 19 N 8.20 4.48 0.00 2.70 2.57 0.00 0.00 6.83 7.71 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 20 V 8.07 3.49 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 1.24 0.00 0.00 1.01 0.00 0.00 21 D 8.10 4.36 0.00 2.92 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 22 E 8.73 3.85 0.00 2.08 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 0.00 2.34 2.15 0.00 23 V 8.08 3.56 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 0.97 0.00 0.00 0.61 0.00 0.00 24 G 8.56 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 25 G 8.04 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 26 E 8.12 3.88 0.00 2.14 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 2.22 2.29 0.00 27 A 8.25 3.91 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 28 L 8.06 4.02 0.00 1.84 1.62 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.13 3.55 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 0.00 0.00 0.00 30 R 8.18 3.89 0.00 2.08 1.94 0.00 3.06 0.00 0.00 3.01 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 31 L 8.03 4.05 0.00 1.89 1.84 0.97 0.56 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 32 L 7.81 4.07 0.00 1.97 1.67 0.93 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.43 3.52 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 0.70 0.00 0.00 0.94 0.00 0.00 34 V 7.83 3.54 1.50 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 -0.21 0.00 0.00 0.76 0.00 0.00 35 Y 7.37 3.64 0.00 2.45 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 36 P 0.00 4.92 0.00 2.26 2.13 0.00 3.76 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.10 0.00 37 W 7.92 4.36 0.00 3.56 3.47 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 38 T 7.85 4.27 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 1.13 0.00 0.00 39 Q 8.42 4.17 0.00 2.26 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.76 0.00 0.00 0.00 0.00 0.00 2.45 2.51 0.00 40 R 7.52 4.01 0.00 1.64 1.99 0.00 3.06 0.00 0.00 2.77 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.50 0.00 41 F 6.75 4.15 0.00 1.51 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 0.00 0.00 0.00 0.00 42 F 8.02 4.80 0.00 2.92 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 0.00 0.00 0.00 43 E 8.55 4.13 0.00 1.97 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 2.27 2.22 0.00 44 S 8.13 4.73 0.00 4.12 4.21 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.34 4.25 0.00 3.34 3.21 0.00 0.00 0.00 0.00 0.00 0.00 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 7.38 4.05 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 0.00 0.00 0.00 47 D 8.59 4.66 0.00 2.67 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 48 L 8.33 4.92 0.00 1.73 1.60 1.04 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.43 4.33 0.00 4.02 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 50 T 7.27 4.74 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 1.21 0.00 0.00 51 P 0.00 4.17 0.00 2.14 2.11 0.00 3.59 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 2.09 2.16 0.00 52 D 8.15 4.32 0.00 2.67 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 53 A 8.22 3.96 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.11 3.54 2.20 0.00 0.00 0.00 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 0.99 0.00 0.00 55 M 8.55 4.27 0.00 1.94 2.08 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.86 0.00 56 G 8.22 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 57 N 7.69 4.42 0.00 3.08 2.82 0.00 0.00 6.78 6.98 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 58 P 0.00 4.30 0.00 2.24 2.25 0.00 3.72 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 59 K 8.18 3.68 0.00 1.77 0.74 0.00 1.56 0.00 0.00 1.00 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.12 1.23 7.81 60 V 7.86 3.66 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 1.01 0.00 0.00 1.01 0.00 0.00 61 K 7.96 3.80 0.00 1.98 1.83 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.43 1.59 7.81 62 A 8.11 3.94 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 63 L 8.39 4.16 0.00 2.02 1.86 1.09 1.22 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 64 G 8.78 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 65 K 8.44 3.96 0.00 1.91 2.04 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.80 7.81 66 K 7.66 4.06 0.00 2.16 1.93 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.48 7.81 67 V 8.28 3.66 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 1.05 0.00 0.00 1.04 0.00 0.00 68 L 8.35 4.33 0.00 1.87 1.78 0.81 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 69 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 70 A 8.33 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 71 F 8.35 4.11 0.00 3.09 3.38 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 72 S 9.24 4.19 0.00 4.55 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 0.00 73 D 8.35 4.49 0.00 2.88 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 74 G 8.16 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.32 3.90 0.00 1.44 1.41 -0.41 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.66 4.05 1.07 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 0.00 0.00 77 H 7.67 5.10 0.00 3.11 3.14 0.00 5.83 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 78 L 7.65 4.01 0.00 1.53 1.63 0.78 0.94 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 79 D 7.94 4.53 0.00 2.80 2.87 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 0.00 0.00 0.00 80 N 7.86 5.19 0.00 2.76 2.64 0.00 0.00 7.09 6.66 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 81 L 7.86 4.09 0.00 1.75 1.81 0.88 0.86 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 82 K 8.27 3.96 0.00 1.82 1.82 0.00 1.55 0.00 0.00 1.80 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.54 7.81 83 G 8.10 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 84 T 7.93 3.77 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 0.47 0.00 0.00 85 F 8.08 4.73 0.00 3.20 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 86 A 7.76 4.08 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 87 T 7.83 4.03 4.25 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 1.20 0.00 0.00 88 L 7.95 4.16 0.00 2.02 1.89 1.14 0.94 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 89 S 8.37 4.40 0.00 4.12 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 0.00 90 E 8.40 3.88 0.00 2.06 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 2.35 2.60 0.00 91 L 7.83 3.93 0.00 1.79 1.84 0.89 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 92 H 8.79 4.19 0.00 3.57 3.78 0.00 5.86 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 C 7.85 3.66 0.00 1.23 2.45 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 94 D 8.64 4.14 0.00 2.66 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 95 K 7.82 4.33 0.00 1.65 1.77 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.32 1.49 7.81 96 L 7.78 4.03 0.00 1.75 1.66 0.70 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.20 4.18 0.00 3.34 3.41 0.00 5.64 0.00 0.00 0.00 0.00 8.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 8.01 4.22 2.16 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 0.28 0.00 0.00 0.48 0.00 0.00 99 D 8.91 4.31 0.00 2.80 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 2.97 0.00 1.90 1.78 0.00 3.35 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.44 0.00 101 E 8.13 3.86 0.00 2.01 1.88 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 2.30 2.39 0.00 102 N 8.00 4.26 0.00 2.45 2.74 0.00 0.00 6.91 8.79 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 0.00 103 F 7.37 4.48 0.00 3.09 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 0.00 104 R 7.81 4.02 0.00 1.95 1.96 0.00 3.25 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.73 0.00 105 L 7.93 3.76 0.00 1.70 1.33 0.63 -0.34 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 0.00 106 L 8.20 4.05 0.00 1.84 1.71 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 107 G 8.19 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 108 N 8.28 4.50 0.00 2.80 2.94 0.00 0.00 6.64 7.84 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 0.00 109 V 8.10 3.64 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 1.02 0.00 0.00 1.16 0.00 0.00 110 L 8.39 3.85 0.00 1.71 1.78 0.89 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.68 3.55 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 1.39 0.00 0.00 1.18 0.00 0.00 112 C 8.04 4.03 0.00 3.17 2.94 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 0.00 113 V 7.78 3.52 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 0.99 0.00 0.00 0.88 0.00 0.00 114 L 8.03 3.79 0.00 1.05 1.18 0.66 0.79 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 0.00 115 A 7.33 3.70 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 0.00 116 H 8.14 4.11 0.00 3.13 3.40 0.00 5.78 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 0.00 117 H 8.12 4.00 0.00 2.93 2.97 0.00 5.99 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 0.00 118 F 8.64 4.61 0.00 3.30 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 0.00 119 G 8.72 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 0.00 120 K 8.92 3.97 0.00 1.91 2.01 0.00 1.62 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.48 7.81 121 E 7.89 4.01 0.00 2.02 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 0.00 2.31 2.28 0.00 122 F 8.26 4.56 0.00 3.07 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 0.00 123 T 7.31 4.10 4.20 0.00 0.00 0.00 0.00 0.00 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 0.00 124 P 0.00 4.13 0.00 2.15 2.14 0.00 3.57 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 2.11 2.19 0.00 125 P 0.00 4.27 0.00 2.12 2.06 0.00 3.50 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 2.08 2.11 0.00 126 V 7.45 3.56 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 1.04 0.00 0.00 0.90 0.00 0.00 127 Q 7.77 3.61 0.00 1.44 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.40 2.56 0.00 128 A 8.02 4.08 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 0.00 129 A 7.93 3.91 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 0.00 130 Y 8.34 4.01 0.00 3.33 3.27 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 0.00 131 Q 8.79 4.23 0.00 2.09 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.81 0.00 0.00 0.00 0.00 0.00 2.76 2.62 0.00 132 K 7.83 3.99 0.00 2.00 1.83 0.00 1.72 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.62 7.81 133 V 7.60 3.48 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.74 0.00 0.00 134 V 8.44 3.91 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 1.01 0.00 0.00 1.15 0.00 0.00 135 A 8.39 4.12 1.42 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 0.00 136 G 8.29 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 0.00 0.00 0.00 137 V 8.25 3.25 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 0.43 0.00 0.00 0.62 0.00 0.00 138 A 8.03 3.97 1.45 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 0.00 139 N 8.49 4.24 0.00 2.92 2.90 0.00 0.00 6.97 6.60 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 0.00 140 A 7.84 4.04 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.25 4.00 0.00 1.22 0.80 -0.10 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.89 4.45 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 0.00 143 H 8.01 4.29 0.00 3.31 3.54 0.00 5.75 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 K 8.12 4.40 0.00 1.86 1.86 0.00 1.82 0.00 0.00 1.73 0.00 0.00 3.14 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.76 7.81 145 Y 7.97 4.08 0.00 3.18 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 0.00 146 H 8.36 4.39 0.00 3.19 3.23 0.00 5.75 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