NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4430 8.3044 118.1946 55.3441 32.5662 174.3565 1 V 4.1985 7.8166 118.1982 61.1138 34.2071 172.7049 2 L 4.3089 8.2749 127.5004 54.0545 43.5749 176.7444 3 S 4.5927 8.5055 116.8420 57.4294 65.5948 175.2361 4 E 4.2581 8.7201 122.0435 59.4217 29.5438 178.5193 5 G 3.8377 8.2582 105.3404 48.1416 0.0000 175.1794 6 E 3.8998 8.0149 120.3537 58.9903 29.4633 179.4842 7 W 4.3573 8.1358 118.8937 59.9331 29.0392 178.6336 8 Q 4.1619 8.3775 118.1040 59.0040 28.2816 178.7527 9 L 4.1024 7.9489 119.7797 57.6969 41.6283 179.8226 10 V 3.7677 7.9671 118.3480 65.9933 31.6165 177.9132 11 L 4.4024 8.6552 118.3543 56.9105 41.1261 178.8931 12 H 4.2514 8.4031 119.3373 59.3279 29.9425 177.6467 13 V 3.4179 7.8623 120.5970 64.3962 31.1820 177.9858 14 W 3.9270 8.5294 128.9124 60.2537 30.2633 177.7638 15 A 3.9672 8.0063 119.8050 54.8166 18.0338 179.5407 16 K 3.9412 7.2834 117.0681 59.4409 32.1330 179.4713 17 V 2.8123 7.1579 118.4595 65.8725 31.0083 177.6556 18 E 3.8588 7.6002 115.9302 58.0841 29.3102 178.4973 19 A 4.2666 7.4537 120.3929 53.5477 19.7934 177.6247 20 D 4.6154 7.9354 116.9508 52.1772 42.5406 175.5172 21 V 3.5175 7.9598 123.2127 65.2293 31.9428 176.9026 22 A 4.0821 7.9720 120.4171 54.8700 18.3012 179.7355 23 G 3.7382 8.3890 105.7295 47.7336 0.0000 175.7687 24 H 4.1381 8.1899 118.7953 58.4880 28.7163 178.0947 25 G 3.6524 8.3997 107.8927 47.8088 0.0000 175.8261 26 Q 3.8360 8.1720 120.1553 58.9167 28.8384 178.1498 27 D 4.3275 7.9190 119.8326 57.6415 40.8436 179.3363 28 I 3.6551 7.7327 119.8511 64.4212 37.0645 178.5977 29 L 3.4668 7.6718 119.8078 57.5515 41.3302 179.6985 30 I 3.6541 7.6536 119.8850 64.1720 36.9439 178.4085 31 R 3.8469 7.9593 119.6877 59.0605 29.8444 178.3364 32 L 3.8665 7.6973 120.1471 58.3570 41.6308 179.0908 33 F 4.6276 7.7712 117.8243 60.3928 38.5321 178.0365 34 K 4.0111 8.4511 117.8361 59.6532 32.0117 179.3250 35 S 4.3085 7.9778 114.1302 60.3948 63.8460 174.4452 36 H 4.5879 8.4256 119.5976 52.2231 29.3944 172.0149 37 P 4.4703 0.0000 0.0000 64.4957 31.5731 177.5372 38 E 4.0956 8.2993 116.4260 59.5581 29.2387 179.1909 39 T 3.7497 8.1943 111.0662 64.3462 68.8059 176.2353 40 L 3.8008 7.9193 123.0919 57.6631 41.7421 178.5803 41 E 4.1508 7.9871 117.3125 58.8151 29.4417 178.6079 42 K 4.4739 8.2075 117.1620 56.9808 32.7773 177.5837 43 F 4.6194 8.2398 119.3674 55.7315 38.9223 175.7194 44 D 4.4884 8.6145 124.4817 57.4200 40.9275 178.9985 45 R 3.8428 7.8429 116.3615 58.0570 30.3598 177.0283 46 F 4.7698 8.3319 114.7267 56.5958 40.2252 176.5917 47 K 4.1584 8.1283 119.8987 58.6524 32.4357 177.1627 48 H 4.5367 8.0512 114.2220 56.1279 29.2060 175.2826 49 L 4.1326 7.5470 122.0539 54.8998 41.7528 176.9194 50 K 4.2423 9.7488 124.3652 57.6158 33.1555 176.9487 51 T 4.7253 7.4677 107.5362 59.0160 73.2763 174.1231 52 E 4.0319 8.5793 119.8866 58.6600 29.6238 178.2779 53 A 4.0702 7.8995 120.8297 55.0604 18.3324 179.2377 54 E 3.9113 7.8933 116.0974 59.7678 29.8699 179.0376 55 M 4.1893 8.0827 118.6768 58.5197 31.8332 179.0321 56 K 3.9716 8.2976 117.4740 59.1390 32.3149 178.5200 57 A 4.3551 7.6371 118.3380 51.7900 19.0049 177.1310 58 S 4.3305 7.5443 114.2775 57.3536 63.1747 174.4879 59 E 3.9949 8.9606 128.8055 59.3472 29.4944 178.3060 60 D 4.4492 8.1846 118.5234 57.4526 41.0044 178.1375 61 L 3.1921 7.9961 120.7325 58.0046 41.9454 179.0358 62 K 3.8824 7.8908 118.9025 59.3312 32.0998 179.0536 63 K 4.0202 7.9945 118.9100 59.2528 31.8762 179.1144 64 L 4.1273 8.0525 120.8711 57.9571 42.0330 179.0237 65 G 3.6736 8.2219 105.9682 47.9976 0.0000 175.7391 66 V 3.6297 7.7341 120.7079 65.8710 31.5970 178.1158 67 T 3.8920 8.0179 115.5388 66.7194 68.3438 176.6998 68 V 3.6501 8.1124 120.2269 66.1741 31.5491 178.1311 69 L 4.2869 8.1659 118.5678 57.8928 41.4786 179.6111 70 T 4.0426 8.2983 115.9988 66.4677 68.2446 176.7467 71 A 4.0361 8.0804 122.7917 54.8291 18.2994 179.4961 72 L 3.6965 8.0849 119.1466 58.1231 42.1333 179.3525 73 G 3.3082 8.5205 105.8802 47.7729 0.0000 175.5071 74 A 3.9894 7.7190 122.0091 54.7624 18.6590 179.5421 75 I 3.8358 7.3119 118.5566 64.4503 37.2507 178.6092 76 L 4.0199 7.9252 120.0900 57.4306 41.1556 179.4441 77 K 4.0199 7.8248 117.3304 58.5026 32.1719 179.0910 78 K 3.8883 7.8667 119.0794 56.6584 32.2653 176.8752 79 K 2.0000 8.0920 117.1563 56.5964 29.4254 175.7138 80 G 4.0487 8.0094 106.6598 45.8948 0.0000 174.3227 81 H 5.0953 7.7189 118.0983 53.9541 27.1628 174.3969 82 H 5.1810 7.2933 112.8602 53.6565 29.6658 176.2012 83 E 3.9744 8.6807 121.8221 60.3855 28.9262 179.1042 84 A 4.0247 7.8710 118.4978 55.2824 18.4310 178.9087 85 E 4.0799 8.2349 116.6371 59.7507 29.4537 179.5630 86 L 4.1633 8.2797 118.9730 57.3071 41.6196 179.4158 87 K 3.9281 7.8150 118.8145 59.2315 32.0268 177.5381 88 P 4.3355 0.0000 0.0000 65.5061 31.3469 178.2087 89 L 3.9910 7.5018 117.0528 57.9938 42.0442 178.7696 90 A 4.2041 8.3943 121.1438 55.1590 18.2806 179.4043 91 Q 3.9096 8.3101 118.3851 59.4238 29.1616 178.7021 92 S 4.0334 8.4355 115.5691 61.6424 63.0688 175.9196 93 H 4.2209 8.7167 119.0825 57.6232 28.3118 177.1793 94 A 2.9033 7.8215 121.8990 53.6441 18.9415 178.6725 95 T 3.9861 7.5268 112.5988 64.7435 69.5226 176.2723 96 K 4.0198 7.4869 120.0468 59.0262 32.7631 177.2027 97 H 4.3504 7.7282 114.1173 56.0860 29.4974 175.0910 98 K 3.3268 7.4739 117.1654 56.7301 28.1778 174.3330 99 I 4.4165 8.2091 119.7655 58.6921 39.1073 174.8791 100 P 4.5208 0.0000 0.0000 62.1197 32.3656 177.3242 101 I 3.6407 8.4020 121.1760 64.4900 36.8859 178.6699 102 K 3.6748 7.8932 119.9865 59.6691 31.9190 178.2280 103 Y 4.3215 7.9788 117.0118 60.7759 37.7877 178.0372 104 L 4.2143 7.8767 119.7562 57.6045 41.7735 179.1085 105 E 3.9845 8.2167 118.7170 59.4367 29.4871 179.2391 106 F 4.4860 7.8187 117.7903 60.8306 38.9198 177.5173 107 I 3.9591 8.1448 117.6154 63.5707 37.7816 178.0650 108 S 4.1979 8.0995 116.5580 61.5965 62.6310 176.0634 109 E 4.0654 8.5055 121.9589 59.1234 29.3167 178.7339 110 A 4.0798 8.0240 120.8837 54.8859 18.3534 179.7470 111 I 3.6898 8.1117 118.7034 64.6979 37.1509 178.7272 112 I 3.8102 7.9297 120.7022 64.5399 36.8896 178.0378 113 H 4.1165 8.4657 119.2277 59.1852 29.6174 177.6082 114 V 3.5520 8.0165 120.1453 66.0613 31.3623 178.0504 115 L 3.7938 8.0414 119.0936 57.8063 40.9920 179.0314 116 H 4.3071 8.0960 118.2358 59.2558 29.9062 177.2051 117 S 4.1944 7.8945 115.1692 61.0467 63.1163 176.0085 118 R 4.1226 7.9871 120.0480 56.9378 31.4860 176.1893 119 H 5.0087 8.2178 116.0297 53.9458 29.5731 172.8586 120 P 4.3584 0.0000 0.0000 65.6230 31.9926 179.5490 121 G 3.6604 8.1366 106.9568 47.5814 0.0000 173.7754 122 N 4.9822 8.2135 115.4100 52.9187 39.3324 175.3672 123 F 4.8676 7.8234 118.9198 56.1841 39.6830 174.1808 124 G 3.9207 7.5895 109.4570 44.1289 0.0000 171.6537 125 A 3.8852 8.3854 120.5237 55.2545 18.3785 179.7852 126 D 4.1861 7.9498 116.7814 57.4262 40.9155 178.6981 127 A 3.9427 7.7419 120.8324 54.9456 18.3507 179.3493 128 Q 3.1443 7.8361 118.5884 58.7984 28.9981 178.5066 129 G 3.5189 8.0978 106.7421 47.6874 0.0000 175.5625 130 A 3.8435 7.9642 123.2705 54.9844 18.3650 179.4211 131 M 3.9854 8.2306 116.9543 58.6380 32.2687 177.8673 132 N 4.2834 8.5312 117.6542 56.6373 39.0774 176.4694 133 K 3.7541 8.0982 120.7688 59.7097 32.1152 178.4848 134 A 3.8351 7.9672 120.7692 55.0732 18.2282 179.5912 135 L 4.1130 8.2090 117.5704 57.7485 41.6508 179.4551 136 E 4.0706 8.6149 119.2323 59.0410 29.2762 179.1047 137 L 3.9256 8.2996 120.8484 58.0444 42.1435 178.5246 138 F 4.1398 8.4546 120.7967 61.6993 39.1653 177.3750 139 R 3.3942 8.4250 117.8009 58.8344 29.8755 178.9838 140 K 3.8201 8.2281 119.7478 59.6277 32.1902 178.6939 141 D 4.3291 8.2137 119.2858 57.3343 40.6828 178.8463 142 I 3.4725 7.6802 120.5032 64.0596 36.9480 178.2895 143 A 3.7120 7.9512 121.7356 54.9325 18.2401 179.5980 144 A 3.9542 7.8499 119.2221 55.1835 18.3991 180.0630 145 K 4.0067 8.0703 117.1340 59.6751 32.0421 179.0249 146 Y 4.3928 8.4473 117.5752 61.1578 37.8082 178.7596 147 K 3.9451 8.1834 120.3167 59.7361 32.1088 178.6746 148 E 4.0287 7.9145 117.1357 59.3154 29.4715 178.8526 149 L 4.2944 7.9728 117.3240 55.6547 41.8376 177.9254 150 G 4.0529 8.0172 107.3691 45.4328 0.0000 172.9361 151 Y 4.2723 8.0225 119.8742 59.4452 40.2032 177.0840 152 Q 3.0037 8.0431 115.1857 57.4299 26.5632 174.2592 153 G 3.1902 7.4887 115.6072 45.5559 0.0000 171.0285 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 4.44 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 1 V 7.82 4.20 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 0.83 0.00 0.00 0.95 0.00 0.00 2 L 8.27 4.31 0.00 0.96 0.81 0.58 -0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.51 4.59 0.00 4.07 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 4 E 8.72 4.26 0.00 2.20 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 2.43 2.51 0.00 5 G 8.26 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 6 E 8.01 3.90 0.00 1.95 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 2.21 2.26 0.00 7 W 8.14 4.36 0.00 3.56 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 8.38 4.16 0.00 2.34 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.62 2.60 0.00 9 L 7.95 4.10 0.00 1.90 1.74 0.89 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.97 3.77 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 1.18 0.00 0.00 0.91 0.00 0.00 11 L 8.66 4.40 0.00 1.83 1.81 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.40 4.25 0.00 3.50 3.57 0.00 5.78 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 13 V 7.86 3.42 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 1.06 0.00 0.00 0.87 0.00 0.00 14 W 8.53 3.93 0.00 3.65 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 A 8.01 3.97 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 7.28 3.94 0.00 1.30 1.68 0.00 1.65 0.00 0.00 1.48 0.00 0.00 2.67 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.44 7.81 17 V 7.16 2.81 0.94 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 -0.08 0.00 0.00 0.45 0.00 0.00 18 E 7.60 3.86 0.00 1.96 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 2.24 1.98 0.00 19 A 7.45 4.27 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 20 D 7.94 4.62 0.00 2.69 2.51 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 21 V 7.96 3.52 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 0.83 0.00 0.00 22 A 7.97 4.08 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 8.39 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 24 H 8.19 4.14 0.00 3.29 3.24 0.00 5.83 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 8.40 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.17 3.84 0.00 2.18 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.69 0.00 0.00 0.00 0.00 0.00 2.31 2.51 0.00 27 D 7.92 4.33 0.00 2.84 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 7.73 3.66 1.91 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 1.51 0.55 0.88 0.00 0.00 29 L 7.67 3.47 0.00 1.38 1.00 0.71 0.60 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 30 I 7.65 3.65 1.87 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.56 0.88 0.00 0.00 31 R 7.96 3.85 0.00 1.88 2.11 0.00 3.02 0.00 0.00 2.97 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 32 L 7.70 3.87 0.00 1.71 1.36 1.04 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 33 F 7.77 4.63 0.00 3.03 2.86 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 34 K 8.45 4.01 0.00 1.63 1.83 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.64 7.81 35 S 7.98 4.31 0.00 3.75 3.59 0.00 0.00 0.00 0.00 0.00 0.00 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 8.43 4.59 0.00 2.93 2.68 0.00 5.62 0.00 0.00 0.00 0.00 6.79 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 2.14 2.09 0.00 3.82 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.20 0.00 38 E 8.30 4.10 0.00 2.28 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 0.00 2.29 2.54 0.00 39 T 8.19 3.75 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 0.78 0.00 0.00 40 L 7.92 3.80 0.00 1.34 1.71 -0.03 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.99 4.15 0.00 2.32 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 2.38 2.39 0.00 42 K 8.21 4.47 0.00 1.88 1.76 0.00 1.91 0.00 0.00 1.77 0.00 0.00 3.18 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.74 1.99 7.81 43 F 8.24 4.62 0.00 3.34 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 44 D 8.61 4.49 0.00 2.65 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 45 R 7.84 3.84 0.00 1.17 0.76 0.00 3.10 0.00 0.00 3.14 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.48 0.00 46 F 8.33 4.77 0.00 2.86 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 47 K 8.13 4.16 0.00 1.88 2.15 0.00 1.59 0.00 0.00 1.79 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.46 7.81 48 H 8.05 4.54 0.00 3.33 3.47 0.00 5.53 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 7.55 4.13 0.00 1.56 1.59 0.96 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.75 4.24 0.00 1.75 1.84 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.51 7.81 51 T 7.47 4.73 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 8.58 4.03 0.00 2.05 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 2.36 2.35 0.00 53 A 7.90 4.07 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 7.89 3.91 0.00 2.15 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 2.35 2.35 0.00 55 M 8.08 4.19 0.00 2.08 2.28 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.60 0.00 56 K 8.30 3.97 0.00 1.79 1.85 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.08 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.69 7.81 57 A 7.64 4.36 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.54 4.33 0.00 3.97 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 59 E 8.96 3.99 0.00 2.15 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 2.40 2.49 0.00 60 D 8.18 4.45 0.00 3.23 3.32 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 61 L 8.00 3.19 0.00 1.39 1.62 0.08 0.48 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 62 K 7.89 3.88 0.00 1.85 1.94 0.00 1.66 0.00 0.00 1.62 0.00 0.00 3.10 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.45 7.81 63 K 7.99 4.02 0.00 2.06 1.89 0.00 1.76 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.75 7.81 64 L 8.05 4.13 0.00 1.98 1.74 1.12 1.38 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 65 G 8.22 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 V 7.73 3.63 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 1.12 0.00 0.00 0.95 0.00 0.00 67 T 8.02 3.89 4.50 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 1.29 0.00 0.00 68 V 8.11 3.65 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 1.10 0.00 0.00 1.12 0.00 0.00 69 L 8.17 4.29 0.00 1.81 1.84 0.92 0.75 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 70 T 8.30 4.04 4.35 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 1.26 0.00 0.00 71 A 8.08 4.04 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 72 L 8.08 3.70 0.00 1.69 1.77 0.29 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.52 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 A 7.72 3.99 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 7.31 3.84 1.83 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 1.52 0.94 0.86 0.00 0.00 76 L 7.93 4.02 0.00 1.37 1.57 -0.02 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.82 4.02 0.00 1.82 1.80 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.13 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.46 1.49 7.81 78 K 7.87 3.89 0.00 1.96 1.80 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.42 1.71 7.81 79 K 8.09 2.00 0.00 1.34 0.74 0.00 1.46 0.00 0.00 1.43 0.00 0.00 2.73 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.32 0.67 7.81 80 G 8.01 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 81 H 7.72 5.10 0.00 3.16 3.22 0.00 5.76 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.29 5.18 0.00 3.28 3.39 0.00 5.67 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.68 3.97 0.00 2.09 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 0.00 2.42 2.48 0.00 84 A 7.87 4.02 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 8.23 4.08 0.00 2.24 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 2.48 0.00 86 L 8.28 4.16 0.00 1.96 1.74 0.96 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 87 K 7.81 3.93 0.00 1.81 1.90 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.67 7.81 88 P 0.00 4.34 0.00 2.30 2.33 0.00 3.76 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 2.20 2.04 0.00 89 L 7.50 3.99 0.00 1.96 1.94 1.11 0.85 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 90 A 8.39 4.20 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 8.31 3.91 0.00 2.16 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 92 S 8.44 4.03 0.00 4.01 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 93 H 8.72 4.22 0.00 3.64 3.60 0.00 5.80 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 7.82 2.90 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.53 3.99 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 96 K 7.49 4.02 0.00 1.54 1.61 0.00 1.69 0.00 0.00 1.53 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.25 1.36 7.81 97 H 7.73 4.35 0.00 2.99 3.20 0.00 5.84 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.47 3.33 0.00 1.80 1.82 0.00 1.44 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.22 1.24 7.81 99 I 8.21 4.42 2.13 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.95 1.16 0.00 0.00 100 P 0.00 4.52 0.00 1.93 1.96 0.00 3.28 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 0.63 1.38 0.00 101 I 8.40 3.64 1.88 0.00 0.00 0.44 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 1.06 0.84 0.00 0.00 102 K 7.89 3.67 0.00 1.70 1.61 0.00 1.25 0.00 0.00 1.66 0.00 0.00 3.07 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.41 0.54 7.81 103 Y 7.98 4.32 0.00 3.19 3.10 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 0.00 0.00 0.00 0.00 104 L 7.88 4.21 0.00 1.80 1.79 0.75 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.22 3.98 0.00 2.01 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 2.30 2.42 0.00 106 F 7.82 4.49 0.00 3.16 2.84 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 0.00 107 I 8.14 3.96 2.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 1.09 0.00 0.00 108 S 8.10 4.20 0.00 4.21 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 0.00 109 E 8.51 4.07 0.00 2.18 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 2.39 2.41 0.00 110 A 8.02 4.08 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 0.00 111 I 8.11 3.69 2.10 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 0.80 1.03 0.00 0.00 112 I 7.93 3.81 2.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.88 1.13 0.00 0.00 113 H 8.47 4.12 0.00 3.36 3.46 0.00 5.78 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 0.00 114 V 8.02 3.55 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 1.00 0.00 0.00 0.97 0.00 0.00 115 L 8.04 3.79 0.00 0.28 0.71 0.78 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 116 H 8.10 4.31 0.00 3.44 3.56 0.00 5.95 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.89 4.19 0.00 4.00 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 0.00 118 R 7.99 4.12 0.00 1.57 1.63 0.00 3.10 0.00 0.00 2.94 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.60 0.00 119 H 8.22 5.01 0.00 3.18 3.16 0.00 5.62 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.36 0.00 2.21 2.25 0.00 3.75 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.93 0.00 121 G 8.14 3.66 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 0.00 0.00 0.00 122 N 8.21 4.98 0.00 2.80 2.92 0.00 0.00 6.68 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 F 7.82 4.87 0.00 2.93 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 0.00 124 G 7.59 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 0.00 0.00 0.00 125 A 8.39 3.89 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 7.95 4.19 0.00 2.65 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 A 7.74 3.94 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 0.00 128 Q 7.84 3.14 0.00 1.30 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 129 G 8.10 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 A 7.96 3.84 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 0.00 131 M 8.23 3.99 0.00 2.36 2.35 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.90 0.00 132 N 8.53 4.28 0.00 2.89 2.95 0.00 0.00 6.85 6.31 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 0.00 133 K 8.10 3.75 0.00 1.90 1.71 0.00 1.59 0.00 0.00 1.49 0.00 0.00 2.82 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.29 1.38 7.81 134 A 7.97 3.84 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 8.21 4.11 0.00 1.77 1.83 1.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.61 4.07 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 2.34 2.57 0.00 137 L 8.30 3.93 0.00 1.82 2.00 1.07 1.17 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 0.00 138 F 8.45 4.14 0.00 3.08 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 8.43 3.39 0.00 1.92 1.81 0.00 3.15 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.79 0.00 140 K 8.23 3.82 0.00 1.80 1.95 0.00 1.61 0.00 0.00 1.62 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.44 7.81 141 D 8.21 4.33 0.00 2.86 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 0.00 142 I 7.68 3.47 1.16 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 -0.28 0.06 0.00 0.00 143 A 7.95 3.71 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 A 7.85 3.95 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 0.00 145 K 8.07 4.01 0.00 2.05 1.94 0.00 1.56 0.00 0.00 1.60 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.54 7.81 146 Y 8.45 4.39 0.00 3.31 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 0.00 147 K 8.18 3.95 0.00 1.86 1.98 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.49 7.81 148 E 7.91 4.03 0.00 2.15 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 2.63 0.00 149 L 7.97 4.29 0.00 1.81 1.72 0.99 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 150 G 8.02 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 0.00 151 Y 8.02 4.27 0.00 2.50 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 0.00 152 Q 8.04 3.00 0.00 2.10 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.56 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 153 G 7.49 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 0.00 0.00 0.00