NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 G 4.0020 8.3549 109.7411 45.7384 0.0000 172.9440 5 S 4.3756 8.7482 113.8725 60.3545 63.7143 174.9072 6 R 3.8748 8.2400 120.5078 59.4243 31.1613 177.4312 7 R 3.6452 8.0255 116.9157 59.3360 29.8365 176.3852 8 Y 4.4478 7.9567 112.3877 57.6696 37.9928 174.8197 9 D 4.6163 7.6876 120.8444 53.4842 41.1088 176.5829 10 S 4.1362 8.7096 123.7318 59.6820 63.2877 173.9873 11 R 3.7909 8.5430 120.0716 57.0344 26.6375 177.0098 12 T 3.8137 7.8283 107.5717 63.3954 69.7279 175.6756 13 T 4.5431 7.2144 113.1009 61.3513 68.9707 173.4770 14 I 4.4020 7.5368 113.8572 60.0346 40.5815 174.3219 15 F 4.9101 8.3777 119.5142 56.5900 40.1630 176.1136 16 S 4.6759 8.2993 117.9795 55.6681 64.2133 173.5446 17 P 4.4232 0.0000 0.0000 65.5247 31.0387 177.4870 18 E 4.1433 8.0863 115.1415 56.4356 29.8771 176.1930 19 G 3.5090 8.4661 107.0918 46.7363 0.0000 173.6249 20 R 4.6215 7.9822 116.6047 53.7039 33.6201 175.7650 21 L 4.6306 8.0419 120.1584 53.7749 41.8591 177.0411 22 Y 3.6984 7.2664 122.8817 61.5637 37.8643 179.0190 23 Q 3.9716 7.9969 117.7296 59.0278 28.8592 179.2312 24 V 3.5636 7.6356 118.5299 66.1385 31.6690 177.6464 25 E 3.9614 8.0971 118.2094 59.8699 29.2838 179.1253 26 Y 4.4780 8.0742 116.4884 60.8611 37.8568 178.0904 27 A 4.0657 8.6133 122.4145 55.1017 18.4270 179.6418 28 L 3.9423 8.2814 117.8199 57.9859 41.4901 179.3203 29 E 3.9169 8.0777 118.1492 59.2302 29.8458 178.6578 30 S 4.3072 8.2279 113.3065 61.4956 62.5163 176.1338 31 I 3.7346 8.0999 123.2129 64.2590 36.6314 178.2170 32 S 4.2760 8.1068 113.7338 60.5551 62.7483 174.5042 33 H 4.7009 7.7232 117.7806 55.5425 29.4281 174.9022 34 A 4.2747 8.0497 123.4562 51.1162 18.9879 177.5593 35 G 3.9820 8.4098 106.8054 46.3203 0.0000 173.6132 36 T 4.3442 8.5939 119.8324 63.2952 69.8467 173.2546 37 A 5.1627 8.5239 126.2701 50.2122 22.1097 175.2671 38 I 4.6143 9.7448 122.7459 59.3366 41.2484 174.9022 39 G 4.4053 8.6784 111.7282 44.5598 0.0000 171.9012 40 I 4.7239 8.8835 125.7746 59.6988 41.0818 173.9300 41 M 4.6627 8.8401 126.8328 54.2013 33.3617 175.3280 42 A 4.7100 8.7234 130.9840 50.5933 21.5891 176.1370 43 S 4.3963 8.5811 111.1769 60.3218 63.4994 174.6786 44 D 4.8899 9.1654 119.0415 50.6633 39.6328 175.7953 45 G 4.1812 6.9754 108.7883 46.0669 0.0000 171.4085 46 I 5.0750 7.6564 119.2497 59.2958 40.8266 175.6078 47 V 4.4645 8.7684 124.1886 61.0835 34.5453 174.1321 48 L 5.2509 8.6964 126.7573 52.9236 44.0332 175.6671 49 A 4.8516 9.1860 125.2442 50.1022 22.3855 174.5433 50 A 4.7182 8.4711 122.1367 50.2605 22.5289 174.8196 51 E 4.4142 9.2652 122.3139 54.4897 31.4172 175.6214 52 R 4.2084 8.5730 126.6024 55.7950 30.2081 176.2777 53 K 3.9628 8.5763 125.3505 56.9154 32.8614 173.7238 54 V 3.1305 8.5754 129.3750 63.0910 32.0366 171.5809 55 T 4.6045 7.9930 114.3309 61.4119 71.5786 171.8952 56 S 4.5802 8.0257 113.4159 57.6546 65.2302 175.4474 57 T 3.8841 8.4958 120.3313 66.6786 68.1740 175.9521 58 L 4.1892 7.7775 118.6341 55.4981 42.0308 176.8800 59 L 3.9731 7.3165 122.3371 54.5596 41.8854 176.6178 60 E 4.1616 8.6139 127.2126 55.9524 28.2297 176.4429 61 Q 4.2291 8.4208 127.7583 58.5418 29.8000 177.9151 62 D 4.3542 8.2496 117.0299 57.4510 40.8430 177.3783 63 T 4.2594 7.1706 113.0457 63.8849 69.0709 175.1540 63A S 4.4052 7.3637 116.3411 58.3568 63.1325 173.6476 64 T 4.2319 7.8973 118.9455 63.0869 71.6889 173.3917 65 E 4.8635 8.5636 121.4433 55.7383 32.1065 175.7066 66 K 4.6570 7.7894 116.3392 55.7091 35.8744 175.4672 67 L 5.1518 7.6808 119.1436 53.0502 43.7574 175.6465 68 Y 4.7887 8.7954 121.5131 55.8494 41.8617 174.9675 69 K 4.5089 8.7995 124.3805 55.6932 33.1597 176.1360 70 L 4.3525 8.5519 126.6697 56.3568 42.5245 175.6059 71 N 4.9469 7.5130 113.3659 52.6144 41.7304 172.6476 72 D 4.6386 8.6973 115.7494 55.6366 41.5537 177.0234 73 K 4.7224 7.9731 116.5018 55.8843 34.5330 175.4946 74 I 5.3209 7.6586 120.5616 59.6383 41.5613 174.0379 75 A 5.1415 9.2002 126.3072 50.7116 23.2511 175.2991 76 V 4.9446 8.8841 111.5196 59.4714 36.3576 174.5447 77 A 5.2922 9.0357 124.8363 50.3215 21.3494 175.6390 78 V 4.6840 8.9720 122.9114 61.2074 33.7609 175.3666 79 A 4.3275 9.2725 128.4121 53.1909 21.3221 173.7772 80 G 3.7388 8.6806 113.0011 45.1921 0.0000 172.9373 81 L 4.0647 8.6346 126.3628 55.0060 41.7082 177.7787 82 T 3.8547 8.8613 121.5112 66.6948 67.9283 176.1019 83 A 3.9912 8.0293 121.8451 55.4264 18.2815 179.1913 84 D 4.4305 8.1318 116.4885 57.4505 40.9777 178.6366 85 A 4.0086 8.1487 121.2973 55.4415 18.4322 179.4704 86 E 3.8273 8.3193 117.0665 59.4877 29.4824 179.8344 87 I 3.7205 7.4594 119.0322 64.4545 37.1794 178.4989 88 L 3.8711 7.5835 119.9026 57.5509 41.3645 179.4483 89 I 3.5004 8.1159 120.2477 64.4010 37.1005 177.8383 90 N 4.2567 8.0927 117.7747 57.0428 38.8401 177.0167 91 T 3.9097 7.7957 110.3592 64.4940 68.8145 176.3681 92 A 3.9417 8.2381 124.0986 55.2372 18.3300 179.7244 93 R 3.9128 8.3551 116.9570 59.5098 29.9769 179.4954 94 I 3.7677 7.6924 119.5703 64.5243 37.1279 177.7402 95 H 4.1588 8.4120 118.9247 59.2543 29.5851 177.0379 96 A 3.9723 7.9603 122.2563 55.4908 18.1842 179.7476 97 Q 4.0106 7.9583 116.4451 58.9606 28.7042 178.7142 98 N 4.3365 8.5243 118.0889 56.2726 38.4912 176.7594 99 Y 3.9038 8.1910 121.0287 60.5143 38.9110 177.8162 100 L 4.5694 8.2116 122.6251 57.7575 42.0300 178.8766 101 K 3.9763 8.1338 118.3909 59.7415 32.1232 178.6111 102 T 3.7654 7.7095 115.2849 65.9134 68.4991 175.6340 103 Y 4.5068 7.5676 115.2266 56.3557 39.7429 175.1526 104 N 4.3627 8.6599 116.7155 53.5133 36.7856 173.7842 105 E 4.8436 7.6145 114.4925 55.1373 34.0045 175.0979 106 D 4.7296 8.5331 121.6784 53.8349 41.6379 176.3452 107 I 2.6094 8.1238 123.2928 59.7329 38.3858 174.5555 108 P 4.1288 0.0000 0.0000 62.6408 32.9625 177.0637 109 V 3.4810 8.1621 121.6080 66.3809 31.3797 178.2240 110 E 3.7656 7.9343 118.0883 59.2306 29.5957 178.3391 111 I 3.6191 7.6379 119.3946 64.5512 37.2042 177.9461 112 L 3.9756 7.4633 120.8091 58.0370 41.8103 179.1900 113 V 3.0141 7.3044 117.9429 65.6733 31.2594 178.0285 114 R 3.7869 8.2899 118.9971 59.1406 29.8775 178.4445 115 R 3.7892 7.7246 118.0854 59.4662 30.2619 178.3565 116 L 3.9577 7.7066 118.4663 58.1405 41.5638 179.9190 117 S 4.2323 8.3575 115.1428 61.6410 62.7981 176.4900 118 D 4.3798 8.3646 122.0412 57.2667 40.2784 178.8716 119 I 3.8359 7.5716 119.6308 64.2456 37.2756 178.3005 120 K 4.2427 7.9832 119.0586 59.7162 32.0118 179.0121 121 Q 4.1290 8.5557 120.1731 59.2041 28.7229 178.9997 122 G 3.5963 8.0069 106.1880 47.9803 0.0000 174.9486 123 Y 4.0956 7.9353 115.6715 59.2138 37.7709 177.3678 124 T 4.3847 7.6303 116.6134 63.6942 69.7440 174.8519 125 Q 4.4410 7.8114 119.7018 56.1429 30.9924 174.2505 126 H 4.6753 7.6781 110.6314 55.1290 30.7047 173.2087 127 G 3.8109 8.7642 108.2697 44.0697 0.0000 174.5919 128 G 4.0893 7.7938 105.8923 46.3994 0.0000 173.0897 129 L 4.7783 6.9475 118.4279 51.9641 44.1846 176.9515 130 R 4.1111 8.1858 117.0910 55.4368 30.1043 174.7776 131 P 4.5497 0.0000 0.0000 62.0617 32.2520 175.8803 132 F 4.3286 8.5814 118.6392 57.4058 40.1638 177.3426 133 G 4.0331 9.0346 115.0289 45.0993 0.0000 172.9054 134 V 4.8664 7.3147 117.8620 61.3215 35.7242 175.2644 135 S 4.6827 8.4548 121.8119 56.7005 66.4296 173.0565 136 F 5.3619 8.8126 121.8146 55.6790 42.2685 174.8223 137 I 4.5329 8.4151 121.9873 59.9446 39.8957 174.0138 138 Y 5.0763 8.9350 124.8899 56.3347 39.6879 175.0682 139 A 4.7480 9.2623 126.2815 50.2685 21.6857 175.2896 140 G 5.0522 8.5273 108.2370 45.7628 0.0000 170.9456 141 Y 4.9753 8.4022 120.1329 55.8047 41.6860 173.8867 142 D 4.6619 7.4504 123.9652 51.6469 42.5269 174.7036 143 D 4.4992 8.5285 117.7396 53.7747 39.3317 176.3513 144 R 4.0914 8.7360 126.6538 56.7570 30.1008 175.3263 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 4 G 8.35 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.75 4.38 0.00 4.04 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 6 R 8.24 3.87 0.00 1.84 1.92 0.00 3.17 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 7 R 8.03 3.65 0.00 1.49 1.08 0.00 2.23 0.00 0.00 2.91 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.35 0.00 8 Y 7.96 4.45 0.00 2.95 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 D 7.69 4.62 0.00 2.71 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 S 8.71 4.14 0.00 3.91 3.92 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 11 R 8.54 3.79 0.00 2.02 1.98 0.00 3.12 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.71 0.00 12 T 7.83 3.81 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 1.22 0.00 0.00 13 T 7.21 4.54 4.34 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 1.21 0.00 0.00 14 I 7.54 4.40 1.95 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.30 0.98 0.00 0.00 15 F 8.38 4.91 0.00 3.09 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 16 S 8.30 4.68 0.00 3.69 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 17 P 0.00 4.42 0.00 2.09 2.20 0.00 3.76 0.00 0.00 3.83 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 18 E 8.09 4.14 0.00 1.88 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 0.00 2.28 2.34 0.00 19 G 8.47 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.98 4.62 0.00 1.65 1.78 0.00 3.05 0.00 0.00 3.11 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.49 0.00 21 L 8.04 4.63 0.00 1.59 1.50 0.84 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 7.27 3.70 0.00 2.86 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 23 Q 8.00 3.97 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.91 0.00 0.00 0.00 0.00 0.00 2.48 2.39 0.00 24 V 7.64 3.56 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 1.16 0.00 0.00 0.92 0.00 0.00 25 E 8.10 3.96 0.00 1.97 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 2.40 2.38 0.00 26 Y 8.07 4.48 0.00 2.99 2.93 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 27 A 8.61 4.07 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 28 L 8.28 3.94 0.00 1.93 1.75 0.93 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 29 E 8.08 3.92 0.00 2.05 2.22 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 2.36 2.43 0.00 30 S 8.23 4.31 0.00 3.98 4.03 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 31 I 8.10 3.73 1.97 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 1.89 0.68 0.93 0.00 0.00 32 S 8.11 4.28 0.00 3.93 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 33 H 7.72 4.70 0.00 3.31 3.35 0.00 5.65 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 8.05 4.27 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 35 G 8.41 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 0.00 0.00 0.00 36 T 8.59 4.34 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 1.21 0.00 0.00 37 A 8.52 5.16 1.18 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 38 I 9.74 4.61 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.81 0.92 0.00 0.00 39 G 8.68 4.41 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 40 I 8.88 4.72 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.77 0.92 0.00 0.00 41 M 8.84 4.66 0.00 2.04 1.99 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 2.53 2.55 0.00 42 A 8.72 4.71 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 43 S 8.58 4.40 0.00 4.00 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 44 D 9.17 4.89 0.00 2.76 2.75 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 45 G 6.98 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 46 I 7.66 5.08 1.90 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 1.28 0.78 0.97 0.00 0.00 47 V 8.77 4.46 2.09 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 1.07 0.00 0.00 0.94 0.00 0.00 48 L 8.70 5.25 0.00 1.53 1.54 0.94 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 49 A 9.19 4.85 1.19 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 50 A 8.47 4.72 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 51 E 9.27 4.41 0.00 2.00 1.82 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 2.24 2.27 0.00 52 R 8.57 4.21 0.00 1.83 1.96 0.00 3.25 0.00 0.00 3.14 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.60 0.00 53 K 8.58 3.96 0.00 1.79 1.72 0.00 2.06 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.43 7.81 54 V 8.58 3.13 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 0.84 0.00 0.00 0.93 0.00 0.00 55 T 7.99 4.60 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 1.21 0.00 0.00 56 S 8.03 4.58 0.00 3.83 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 57 T 8.50 3.88 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 1.21 0.00 0.00 58 L 7.78 4.19 0.00 1.63 1.71 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 59 L 7.32 3.97 0.00 1.53 1.70 0.92 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.61 4.16 0.00 2.08 1.85 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 2.37 2.35 0.00 61 Q 8.42 4.23 0.00 2.12 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.51 6.66 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 62 D 8.25 4.35 0.00 2.68 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 T 7.17 4.26 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 1.21 0.00 0.00 63A S 7.36 4.41 0.00 3.97 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 64 T 7.90 4.23 4.15 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 0.58 0.00 0.00 65 E 8.56 4.86 0.00 2.05 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 2.14 2.30 0.00 66 K 7.79 4.66 0.00 1.63 1.81 0.00 1.66 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.43 7.81 67 L 7.68 5.15 0.00 1.33 1.47 0.91 0.72 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 68 Y 8.80 4.79 0.00 2.88 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 69 K 8.80 4.51 0.00 1.74 1.76 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.50 7.81 70 L 8.55 4.35 0.00 1.85 1.69 0.89 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 71 N 7.51 4.95 0.00 2.62 2.77 0.00 0.00 6.96 8.47 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 72 D 8.70 4.64 0.00 2.73 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 73 K 7.97 4.72 0.00 1.72 2.02 0.00 1.68 0.00 0.00 2.10 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.47 7.81 74 I 7.66 5.32 1.89 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 1.29 0.77 0.97 0.00 0.00 75 A 9.20 5.14 1.21 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 0.00 0.00 76 V 8.88 4.94 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 0.22 0.00 0.00 0.92 0.00 0.00 77 A 9.04 5.29 1.22 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 0.00 0.00 78 V 8.97 4.68 2.23 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 0.68 0.00 0.00 1.28 0.00 0.00 79 A 9.27 4.33 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 80 G 8.68 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 81 L 8.63 4.06 0.00 1.65 1.65 0.92 0.78 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 82 T 8.86 3.85 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 83 A 8.03 3.99 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 84 D 8.13 4.43 0.00 2.94 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 85 A 8.15 4.01 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 86 E 8.32 3.83 0.00 2.12 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 0.00 2.01 2.44 0.00 87 I 7.46 3.72 2.16 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 1.77 1.31 1.02 0.00 0.00 88 L 7.58 3.87 0.00 1.86 1.65 0.48 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 89 I 8.12 3.50 1.82 0.00 0.00 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 1.51 0.48 0.77 0.00 0.00 90 N 8.09 4.26 0.00 2.82 2.94 0.00 0.00 7.05 6.49 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 91 T 7.80 3.91 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 1.24 0.00 0.00 92 A 8.24 3.94 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 93 R 8.36 3.91 0.00 1.98 2.01 0.00 3.12 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.92 0.00 94 I 7.69 3.77 2.04 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.67 0.94 0.00 0.00 95 H 8.41 4.16 0.00 3.25 3.47 0.00 5.79 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 96 A 7.96 3.97 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 97 Q 7.96 4.01 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.76 0.00 0.00 0.00 0.00 0.00 2.61 2.56 0.00 98 N 8.52 4.34 0.00 2.92 2.87 0.00 0.00 6.55 8.28 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 99 Y 8.19 3.90 0.00 3.16 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 0.00 100 L 8.21 4.57 0.00 1.97 1.88 1.03 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 101 K 8.13 3.98 0.00 1.84 1.91 0.00 1.82 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.45 7.81 102 T 7.71 3.77 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 0.17 0.00 0.00 103 Y 7.57 4.51 0.00 2.60 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 N 8.66 4.36 0.00 2.85 2.91 0.00 0.00 6.75 7.42 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 0.00 105 E 7.61 4.84 0.00 2.17 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 0.00 2.37 2.55 0.00 106 D 8.53 4.73 0.00 2.70 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 0.00 107 I 8.12 2.61 1.55 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 -0.36 0.77 0.00 0.00 108 P 0.00 4.13 0.00 1.98 1.82 0.00 2.86 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.01 0.00 109 V 8.16 3.48 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 0.92 0.00 0.00 0.87 0.00 0.00 110 E 7.93 3.77 0.00 1.97 1.82 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 2.28 2.30 0.00 111 I 7.64 3.62 1.79 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.70 0.87 0.00 0.00 112 L 7.46 3.98 0.00 1.58 1.68 0.89 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 113 V 7.30 3.01 1.83 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 0.43 0.00 0.00 -0.11 0.00 0.00 114 R 8.29 3.79 0.00 1.86 1.99 0.00 3.13 0.00 0.00 3.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.60 0.00 115 R 7.72 3.79 0.00 1.94 1.97 0.00 3.10 0.00 0.00 2.81 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.58 0.00 116 L 7.71 3.96 0.00 1.88 1.75 0.73 0.68 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 0.00 117 S 8.36 4.23 0.00 4.00 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 0.00 118 D 8.36 4.38 0.00 2.97 2.73 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 0.00 119 I 7.57 3.84 2.02 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 1.57 0.64 0.96 0.00 0.00 120 K 7.98 4.24 0.00 2.09 1.94 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.42 1.52 7.81 121 Q 8.56 4.13 0.00 2.20 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.57 0.00 122 G 8.01 3.60 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 Y 7.94 4.10 0.00 3.13 3.06 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 0.00 124 T 7.63 4.38 4.47 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 1.15 0.00 0.00 125 Q 7.81 4.44 0.00 1.93 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.64 0.00 0.00 0.00 0.00 0.00 2.26 2.20 0.00 126 H 7.68 4.68 0.00 3.17 3.21 0.00 5.74 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 G 8.76 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 G 7.79 4.09 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 0.00 0.00 0.00 129 L 6.95 4.78 0.00 1.83 1.63 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 130 R 8.19 4.11 0.00 1.90 1.92 0.00 3.00 0.00 0.00 3.19 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 131 P 0.00 4.55 0.00 2.10 2.11 0.00 3.68 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 132 F 8.58 4.33 0.00 2.86 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 0.00 133 G 9.03 4.03 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 0.00 0.00 0.00 134 V 7.31 4.87 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.87 0.00 0.00 135 S 8.45 4.68 0.00 3.82 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 F 8.81 5.36 0.00 2.57 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 0.00 0.00 0.00 0.00 137 I 8.42 4.53 1.88 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 1.27 0.72 0.95 0.00 0.00 138 Y 8.94 5.08 0.00 2.77 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 0.00 139 A 9.26 4.75 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 0.00 140 G 8.53 5.05 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 0.00 141 Y 8.40 4.98 0.00 2.98 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 D 7.45 4.66 0.00 2.60 2.42 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 0.00 143 D 8.53 4.50 0.00 2.83 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 0.00 144 R 8.74 4.09 0.00 1.64 1.83 0.00 3.23 0.00 0.00 3.19 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.47 0.00