NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3031 8.2644 123.5826 52.3054 19.4576 176.1210 3 R 4.3559 8.6606 122.2756 55.6155 32.2457 174.0129 4 R 4.2886 8.6290 114.4773 57.0822 33.2710 176.4321 5 R 4.0715 8.4375 119.4991 56.8050 31.4921 177.6185 6 R 4.0306 8.6376 120.3668 57.1920 29.6756 176.8692 7 A 3.5048 8.2152 113.8935 52.3772 15.9418 177.4316 8 E 3.9674 8.5042 122.8013 56.7696 29.9754 177.6730 9 V 3.5452 8.3633 123.9695 62.7344 31.8974 175.6429 10 R 3.9975 8.5337 127.3688 56.7447 30.4697 174.8251 11 Q 4.6322 8.3377 122.5999 54.1620 31.2386 175.0898 12 L 4.4794 8.2661 124.2667 53.6788 43.2624 175.5279 13 Q 4.4758 8.2517 121.9104 53.6102 30.2376 173.7770 14 P 4.2768 0.0000 0.0000 62.3986 32.2711 174.9890 15 D 4.6436 8.6198 119.0151 54.8996 41.7406 176.2724 16 L 4.7929 8.4973 118.2840 54.4382 41.8953 176.9570 17 V 4.1629 7.7185 116.8654 63.9749 33.6840 175.4474 18 Y 4.2624 9.6474 116.0632 57.2761 38.2529 177.0073 19 G 4.1653 8.1685 102.3534 45.5569 0.0000 171.0910 20 D 4.4012 7.8817 119.4206 52.2943 44.6587 176.8110 21 V 3.8053 8.4793 121.7271 64.0203 31.4241 178.3822 22 L 3.9925 8.8917 120.0362 57.9457 41.4007 179.3336 23 V 3.0502 7.8640 118.9380 65.7448 31.3183 178.2020 24 T 3.7658 7.7740 108.8899 64.5977 68.3768 176.0153 25 A 3.9623 8.5506 124.6058 55.0655 18.2043 179.3932 26 F 4.1560 7.9692 118.8011 61.6248 39.2435 177.4260 27 I 3.4343 6.9675 117.7677 64.1485 37.0540 177.8464 28 N 4.4032 8.4664 118.0011 56.2359 38.1162 177.6042 29 K 3.9739 7.3650 117.9916 59.2264 32.1570 179.2310 30 I 3.7286 6.8841 119.4602 62.6922 37.2028 176.3565 31 M 4.1234 7.0758 119.8967 55.2701 32.8665 175.4297 32 R 4.5225 8.1586 124.1912 55.6177 33.1959 175.3685 33 D 4.3276 9.6414 120.0552 55.0433 38.4033 174.5818 34 G 3.9181 8.2808 104.5245 46.5265 0.0000 175.8773 35 K 4.3263 7.7328 119.7243 55.7625 30.8282 178.7150 36 K 3.8142 8.0463 122.1089 59.9942 32.0969 176.2119 37 N 4.3098 8.1665 116.6958 56.5091 38.9899 176.4010 38 L 3.9559 8.3076 121.8455 58.1991 42.3001 178.8521 39 A 4.0084 8.0452 119.8221 55.2278 18.2070 178.7240 40 A 3.8323 7.8510 119.9902 54.7773 18.3665 179.5680 41 R 3.9332 8.1187 114.5603 59.7490 30.2653 178.9931 42 I 3.7637 7.8057 118.6484 64.6779 37.2373 177.6407 43 F 4.3894 7.9969 120.4450 61.8851 39.0815 176.7810 44 Y 4.1682 7.4741 115.8195 61.3857 37.5463 178.3646 45 D 4.3870 8.8174 118.7642 57.2891 41.1262 178.7570 46 A 4.1875 7.6129 121.2794 55.1507 18.6495 179.1335 47 C 3.9293 7.8170 115.1949 63.1108 28.0534 176.5746 48 K 4.1223 8.4423 119.9016 58.9391 31.7527 179.3127 49 I 3.7952 8.2591 120.3827 64.2501 36.6803 177.7350 50 I 3.8373 7.5965 120.5514 63.7190 37.1356 177.3273 51 Q 4.3129 7.8895 121.3078 59.4354 28.8605 178.7715 52 E 4.0295 8.4755 119.2159 58.2094 30.2852 177.5736 53 K 4.3154 8.5480 124.1729 55.0282 31.6778 176.2446 54 T 4.3343 7.1739 113.6442 60.7600 69.1799 171.3605 55 G 3.8219 8.0629 115.6358 46.0895 0.0000 173.5750 56 Q 4.6372 7.2484 116.4982 53.5520 31.1512 175.4286 57 E 4.5341 8.4819 118.7370 54.8449 30.9501 175.1033 58 P 4.2529 0.0000 0.0000 65.6016 31.2720 177.8215 59 L 3.8770 8.1924 117.1405 57.5385 41.5607 177.9270 60 K 4.3214 8.9986 119.7154 59.1076 32.9182 177.5912 61 V 3.4820 7.9790 116.8417 66.2701 31.0902 177.1923 62 F 3.8346 8.3790 119.3637 61.5958 39.1906 177.5796 63 K 3.8829 8.0170 118.2943 59.7816 31.7435 178.0456 64 Q 4.0473 8.6085 119.2482 58.3064 28.9767 177.3542 65 A 3.9818 7.8334 120.6065 55.3808 18.8259 179.3478 66 V 3.4280 7.5887 116.6932 65.7329 31.5125 178.0036 67 E 4.0192 7.4444 119.1385 59.2271 29.3415 178.0014 68 N 4.6446 8.1066 112.4495 53.7001 38.4177 175.6054 69 V 4.3460 7.1337 117.2697 62.0618 32.9729 175.6370 70 K 4.0809 7.9823 118.9654 55.8771 31.2688 175.1497 71 P 4.4272 0.0000 0.0000 62.5866 30.9317 175.9338 72 R 4.0803 8.1369 124.4704 59.6285 30.0699 176.5001 73 M 5.1915 7.6381 114.7380 54.1315 36.9426 173.6796 74 E 4.8133 9.2238 119.0037 55.1950 34.3480 174.0027 75 V 4.9017 8.4336 112.5889 59.8427 33.3511 175.7497 76 R 4.6723 8.5589 125.3401 54.2572 31.8974 176.0577 77 S 4.3918 8.8373 119.5973 58.3352 62.7996 173.0362 78 R 4.4036 8.2725 127.0516 54.5688 32.7196 174.7141 79 R 4.6555 7.9200 119.8521 54.7717 32.3882 176.9481 80 V 4.1330 7.8382 111.4828 60.6214 36.1441 176.5059 81 G 3.8184 7.8044 106.1535 46.6415 0.0000 175.3379 82 G 4.1631 9.0704 109.5928 46.3278 0.0000 173.9892 83 A 4.3481 7.8961 119.8676 51.3205 22.5900 175.4908 84 N 4.8256 8.1726 120.3724 51.3931 36.5982 174.4414 85 Y 4.2931 7.3463 119.4584 58.7520 39.9191 176.1976 86 Q 4.7689 7.9434 120.4953 53.5696 28.6943 174.6872 87 V 3.9290 8.0267 122.6686 62.4086 33.0697 172.5242 88 P 5.5275 0.0000 0.0000 61.9378 33.6294 173.9330 89 M 4.5388 8.9581 117.6403 54.7045 34.8474 174.0194 90 E 4.4805 8.9580 119.0090 56.5535 30.1928 176.7913 91 V 4.2497 7.9689 120.1436 60.6592 33.2657 175.9445 92 S 4.0864 8.6959 121.3505 58.3383 63.6244 172.7494 93 P 3.9847 0.0000 0.0000 66.6541 30.6036 178.3125 94 R 3.8426 8.0330 116.7604 59.3399 29.9595 178.5739 95 R 3.7810 7.8169 117.3265 59.6071 29.8734 178.1325 96 Q 3.9001 8.7822 120.3049 59.2262 28.8747 178.4324 97 Q 3.8814 8.2963 120.6625 59.1762 29.1804 177.6777 98 S 4.0200 8.2039 116.6278 62.1662 62.8997 176.6145 99 L 3.2446 8.0376 121.2778 57.1155 41.1649 179.0377 100 A 4.0228 7.3167 119.7551 55.6248 18.2598 179.2584 101 L 3.9852 8.3838 116.9887 58.3857 41.7914 179.6531 102 R 3.8867 8.1122 118.2259 59.3164 30.0043 178.1226 103 W 4.6686 8.5563 118.7200 60.2144 29.2206 178.0993 104 L 4.0480 8.2053 118.4147 58.2144 40.9403 179.4873 105 V 3.6140 7.4460 116.6361 66.9965 31.7126 177.4517 106 Q 3.9871 8.4645 116.7631 59.2110 28.7350 178.8394 107 A 3.9945 9.0761 121.2164 55.6516 18.6321 179.6867 108 A 4.1375 8.2395 118.8439 55.3914 18.3028 179.1841 109 N 4.6142 7.9539 110.3357 54.3548 38.3359 175.6995 110 Q 4.5000 7.6899 120.4024 56.7288 31.2468 176.8942 111 R 4.0532 7.4624 115.8052 55.7075 30.4909 175.7590 112 P 4.5070 0.0000 0.0000 64.2256 31.5129 176.5932 113 E 4.0889 7.5048 118.9837 56.6881 29.9384 177.2381 114 R 4.0420 8.7096 123.1833 59.4321 30.4348 177.8161 115 R 4.1057 7.6737 114.2663 55.6363 30.2828 175.8683 116 A 4.1106 7.9535 121.0549 52.9503 17.5139 179.6365 117 A 3.9428 7.9844 116.8047 54.8238 19.0463 180.0607 118 V 3.7652 7.8863 110.1379 64.8072 31.5309 178.7031 119 R 3.9008 8.3068 117.7134 59.3131 29.8962 178.8243 120 I 3.9756 7.9314 118.6502 64.9246 37.1682 177.6629 121 A 4.0350 9.3971 121.3628 55.6813 18.1548 179.0246 122 H 4.1542 8.9032 113.8773 59.1648 28.9244 177.6060 123 E 3.9792 9.1457 121.8531 59.3569 29.4182 178.8887 124 L 3.9877 8.3921 119.3443 57.9216 41.6702 179.3345 125 M 4.0572 8.2416 118.6413 58.6109 31.9904 178.5210 126 D 4.3488 8.2791 118.6730 57.4088 40.9783 178.5669 127 A 3.9124 8.2536 121.0285 54.9531 18.2046 179.0940 128 A 3.9316 8.4226 118.5455 55.5161 18.5620 178.9873 129 E 4.0208 8.2725 116.4420 59.4071 30.8707 177.5697 130 G 4.3582 7.8664 106.7812 44.9655 0.0000 173.5390 131 K 4.3477 8.3237 108.2554 54.9182 34.8183 176.4998 132 G 4.2142 7.6931 105.6312 44.1605 0.0000 174.3048 133 G 3.7699 8.6478 107.2645 47.6411 0.0000 175.8892 134 A 4.0051 7.7787 121.6320 55.2373 18.3631 179.9372 135 V 3.5535 7.5951 116.2897 65.5376 31.6519 177.7874 136 K 3.7596 8.4960 119.9964 59.6914 32.1705 178.9392 137 K 3.8617 8.1987 118.3798 58.8527 31.6289 178.8036 138 K 3.8962 7.3352 120.6556 59.0719 32.1866 178.4290 139 E 3.9123 8.5510 118.7408 59.6036 29.3258 179.0090 140 D 4.2891 8.2124 117.4500 57.2081 41.2986 178.1304 141 V 3.8409 7.1826 117.1663 65.5033 31.8403 177.8626 142 E 4.3408 8.3110 119.5118 58.5325 28.9612 179.5448 143 R 4.0702 7.7823 118.0074 59.3528 28.9942 178.4131 144 M 4.1418 7.8721 118.1812 56.9559 31.8392 176.2303 145 A 4.7497 7.4278 120.4751 51.0648 21.4413 177.6347 146 E 3.7151 8.8436 119.5507 57.7142 28.6660 176.4788 147 A 4.1567 9.0257 121.6855 54.6486 18.8800 177.9078 148 N 5.0125 7.6317 109.7809 53.2328 39.0642 176.7461 149 R 4.0138 7.9790 119.0628 58.1373 30.4092 178.3188 150 A 3.8064 7.9074 119.6402 56.1935 18.4383 178.0680 151 Y 3.9830 7.9533 111.0730 57.8486 38.3777 177.2875 152 A 4.2130 7.4888 123.7735 54.6984 18.5593 177.9063 153 H 4.6373 7.6781 110.9169 56.3780 29.0095 175.5590 154 Y 5.1401 7.8878 114.3712 59.3367 39.7728 178.7363 155 R 3.7298 8.4716 120.6489 57.5120 30.7652 176.0908 156 W 4.2380 8.3997 119.8368 56.8368 30.2286 174.2340 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 2 A 8.26 4.30 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 3 R 8.66 4.36 0.00 1.84 1.92 0.00 3.19 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.72 0.00 4 R 8.63 4.29 0.00 1.80 1.67 0.00 3.27 0.00 0.00 3.22 7.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 5 R 8.44 4.07 0.00 1.91 1.84 0.00 3.17 0.00 0.00 3.26 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 6 R 8.64 4.03 0.00 1.75 1.89 0.00 3.31 0.00 0.00 3.20 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 7 A 8.22 3.50 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 8 E 8.50 3.97 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 2.31 2.29 0.00 9 V 8.36 3.55 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 0.74 0.00 0.00 0.91 0.00 0.00 10 R 8.53 4.00 0.00 1.79 1.82 0.00 3.23 0.00 0.00 3.14 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 11 Q 8.34 4.63 0.00 1.99 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.68 0.00 0.00 0.00 0.00 0.00 2.23 2.39 0.00 12 L 8.27 4.48 0.00 1.67 1.57 0.97 0.87 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 13 Q 8.25 4.48 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.93 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 14 P 0.00 4.28 0.00 2.10 2.09 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 2.12 0.00 15 D 8.62 4.64 0.00 2.83 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 L 8.50 4.79 0.00 1.73 1.67 0.98 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 17 V 7.72 4.16 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 0.42 0.00 0.00 0.64 0.00 0.00 18 Y 9.65 4.26 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 19 G 8.17 4.17 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 0.00 20 D 7.88 4.40 0.00 2.68 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 21 V 8.48 3.81 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 1.16 0.00 0.00 0.95 0.00 0.00 22 L 8.89 3.99 0.00 1.78 1.92 1.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 23 V 7.86 3.05 2.13 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 0.89 0.00 0.00 0.85 0.00 0.00 24 T 7.77 3.77 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 1.26 0.00 0.00 25 A 8.55 3.96 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 26 F 7.97 4.16 0.00 3.27 3.03 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 27 I 6.97 3.43 1.83 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.45 0.80 0.00 0.00 28 N 8.47 4.40 0.00 2.78 2.80 0.00 0.00 6.95 6.69 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 29 K 7.37 3.97 0.00 1.62 1.74 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.60 1.55 7.81 30 I 6.88 3.73 1.77 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.29 0.81 0.00 0.00 31 M 7.08 4.12 0.00 2.13 2.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.47 0.00 32 R 8.16 4.52 0.00 1.84 1.75 0.00 3.31 0.00 0.00 3.32 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 33 D 9.64 4.33 0.00 2.81 2.74 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 34 G 8.28 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 35 K 7.73 4.33 0.00 1.84 1.81 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.59 7.81 36 K 8.05 3.81 0.00 1.80 1.84 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.52 7.81 37 N 8.17 4.31 0.00 2.81 2.81 0.00 0.00 6.86 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 38 L 8.31 3.96 0.00 1.78 1.80 0.93 1.34 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 39 A 8.05 4.01 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 40 A 7.85 3.83 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 R 8.12 3.93 0.00 2.05 2.08 0.00 3.21 0.00 0.00 3.21 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.79 0.00 42 I 7.81 3.76 2.06 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 1.43 0.98 0.98 0.00 0.00 43 F 8.00 4.39 0.00 3.01 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 44 Y 7.47 4.17 0.00 3.31 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 45 D 8.82 4.39 0.00 2.78 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 46 A 7.61 4.19 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 47 C 7.82 3.93 0.00 3.16 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.44 4.12 0.00 1.95 1.86 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.72 7.81 49 I 8.26 3.80 2.00 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 1.79 0.79 0.91 0.00 0.00 50 I 7.60 3.84 2.09 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 1.83 0.72 0.99 0.00 0.00 51 Q 7.89 4.31 0.00 1.98 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.01 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 52 E 8.48 4.03 0.00 2.07 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 0.00 2.50 2.50 0.00 53 K 8.55 4.32 0.00 1.84 1.83 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.40 7.81 54 T 7.17 4.33 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 1.30 0.00 0.00 55 G 8.06 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 56 Q 7.25 4.64 0.00 2.05 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.64 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 57 E 8.48 4.53 0.00 2.20 2.13 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 2.37 2.32 0.00 58 P 0.00 4.25 0.00 2.05 1.94 0.00 3.75 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.21 0.00 59 L 8.19 3.88 0.00 2.05 1.92 1.06 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 60 K 9.00 4.32 0.00 1.87 2.01 0.00 1.65 0.00 0.00 1.61 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.50 7.81 61 V 7.98 3.48 2.13 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 0.84 0.00 0.00 0.96 0.00 0.00 62 F 8.38 3.83 0.00 3.10 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 63 K 8.02 3.88 0.00 2.08 2.10 0.00 1.59 0.00 0.00 1.62 0.00 0.00 3.05 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.55 7.81 64 Q 8.61 4.05 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.54 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 65 A 7.83 3.98 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 66 V 7.59 3.43 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 0.83 0.00 0.00 -0.09 0.00 0.00 67 E 7.44 4.02 0.00 2.11 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 2.30 2.38 0.00 68 N 8.11 4.64 0.00 2.81 2.83 0.00 0.00 6.81 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 69 V 7.13 4.35 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 1.10 0.00 0.00 1.07 0.00 0.00 70 K 7.98 4.08 0.00 1.97 1.95 0.00 1.97 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.64 1.59 7.81 71 P 0.00 4.43 0.00 2.39 2.59 0.00 3.98 0.00 0.00 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.01 0.00 72 R 8.14 4.08 0.00 1.91 2.27 0.00 3.33 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 73 M 7.64 5.19 0.00 2.01 1.91 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 2.62 2.67 0.00 74 E 9.22 4.81 0.00 2.09 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 2.24 2.35 0.00 75 V 8.43 4.90 2.13 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 0.87 0.00 0.00 0.98 0.00 0.00 76 R 8.56 4.67 0.00 1.94 2.08 0.00 3.23 0.00 0.00 3.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 77 S 8.84 4.39 0.00 3.89 3.78 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 78 R 8.27 4.40 0.00 1.30 1.55 0.00 2.56 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 1.16 0.00 79 R 7.92 4.66 0.00 1.51 1.62 0.00 3.27 0.00 0.00 3.07 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.44 0.00 80 V 7.84 4.13 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 0.29 0.00 0.00 0.51 0.00 0.00 81 G 7.80 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 82 G 9.07 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 0.00 0.00 0.00 83 A 7.90 4.35 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 N 8.17 4.83 0.00 2.54 2.70 0.00 0.00 6.99 7.46 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 85 Y 7.35 4.29 0.00 2.89 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 86 Q 7.94 4.77 0.00 1.97 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.92 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 87 V 8.03 3.93 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 1.21 0.00 0.00 1.14 0.00 0.00 88 P 0.00 5.53 0.00 2.16 2.08 0.00 3.96 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.15 0.00 89 M 8.96 4.54 0.00 2.09 2.20 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.56 0.00 90 E 8.96 4.48 0.00 1.98 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 2.33 2.32 0.00 91 V 7.97 4.25 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 0.80 0.00 0.00 1.02 0.00 0.00 92 S 8.70 4.09 0.00 3.88 3.70 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 93 P 0.00 3.98 0.00 2.28 2.31 0.00 3.74 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 2.06 2.07 0.00 94 R 8.03 3.84 0.00 1.83 1.97 0.00 3.10 0.00 0.00 3.24 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 95 R 7.82 3.78 0.00 1.82 2.01 0.00 3.16 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 96 Q 8.78 3.90 0.00 2.37 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.61 0.00 0.00 0.00 0.00 0.00 2.35 2.50 0.00 97 Q 8.30 3.88 0.00 2.19 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.46 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 98 S 8.20 4.02 0.00 3.84 3.82 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 0.00 0.00 0.00 99 L 8.04 3.24 0.00 0.89 0.13 0.73 0.37 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 0.00 100 A 7.32 4.02 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 0.00 101 L 8.38 3.99 0.00 1.82 1.83 0.93 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 102 R 8.11 3.89 0.00 1.81 1.87 0.00 3.02 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 1.65 0.00 103 W 8.56 4.67 0.00 3.58 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 0.00 104 L 8.21 4.05 0.00 2.16 2.06 0.96 0.76 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 0.00 105 V 7.45 3.61 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 0.74 0.00 0.00 0.75 0.00 0.00 106 Q 8.46 3.99 0.00 2.45 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.44 0.00 0.00 0.00 0.00 0.00 2.45 2.71 0.00 107 A 9.08 3.99 1.47 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 0.00 0.00 108 A 8.24 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 109 N 7.95 4.61 0.00 2.85 2.87 0.00 0.00 6.96 7.17 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 0.00 110 Q 7.69 4.50 0.00 2.22 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.54 6.81 0.00 0.00 0.00 0.00 0.00 2.31 2.54 0.00 111 R 7.46 4.05 0.00 2.10 2.20 0.00 3.29 0.00 0.00 3.27 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.77 0.00 112 P 0.00 4.51 0.00 2.19 2.19 0.00 3.79 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 2.01 2.00 0.00 113 E 7.50 4.09 0.00 2.07 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 2.38 2.54 0.00 114 R 8.71 4.04 0.00 1.80 1.99 0.00 3.38 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 115 R 7.67 4.11 0.00 1.80 1.87 0.00 3.21 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 116 A 7.95 4.11 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 0.00 117 A 7.98 3.94 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 V 7.89 3.77 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 0.76 0.00 0.00 0.90 0.00 0.00 119 R 8.31 3.90 0.00 1.95 2.17 0.00 3.37 0.00 0.00 3.49 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 2.05 0.00 120 I 7.93 3.98 2.15 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.09 1.31 0.00 0.00 121 A 9.40 4.03 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 0.00 122 H 8.90 4.15 0.00 3.42 3.39 0.00 5.65 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 E 9.15 3.98 0.00 2.13 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 2.56 2.49 0.00 124 L 8.39 3.99 0.00 2.03 1.73 1.17 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 0.00 125 M 8.24 4.06 0.00 2.07 2.26 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 2.62 0.00 126 D 8.28 4.35 0.00 2.88 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 0.00 127 A 8.25 3.91 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 0.00 128 A 8.42 3.93 1.35 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 0.00 0.00 129 E 8.27 4.02 0.00 2.00 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 0.00 2.32 2.34 0.00 130 G 7.87 4.36 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 0.00 131 K 8.32 4.35 0.00 1.74 1.82 0.00 1.58 0.00 0.00 1.84 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.22 1.26 7.81 132 G 7.69 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 0.00 0.00 0.00 133 G 8.65 3.77 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 0.00 0.00 0.00 134 A 7.78 4.01 1.52 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 0.00 135 V 7.60 3.55 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 1.11 0.00 0.00 0.99 0.00 0.00 136 K 8.50 3.76 0.00 1.83 1.91 0.00 1.61 0.00 0.00 1.53 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.59 7.81 137 K 8.20 3.86 0.00 1.35 0.74 0.00 1.47 0.00 0.00 0.80 0.00 0.00 2.20 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.15 1.27 7.81 138 K 7.34 3.90 0.00 1.86 1.87 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.26 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.65 1.61 7.81 139 E 8.55 3.91 0.00 1.99 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 2.32 2.30 0.00 140 D 8.21 4.29 0.00 2.72 2.50 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 0.00 141 V 7.18 3.84 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 1.10 0.00 0.00 0.83 0.00 0.00 142 E 8.31 4.34 0.00 2.06 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 2.38 2.41 0.00 143 R 7.78 4.07 0.00 2.07 1.98 0.00 3.17 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 144 M 7.87 4.14 0.00 1.99 2.30 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.90 0.00 145 A 7.43 4.75 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 0.00 146 E 8.84 3.72 0.00 2.16 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 2.21 2.24 0.00 147 A 9.03 4.16 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 0.00 148 N 7.63 5.01 0.00 2.87 3.07 0.00 0.00 6.65 7.54 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 0.00 149 R 7.98 4.01 0.00 1.84 1.94 0.00 3.48 0.00 0.00 3.28 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 150 A 7.91 3.81 0.75 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 0.00 151 Y 7.95 3.98 0.00 2.92 2.63 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 0.00 152 A 7.49 4.21 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 0.00 153 H 7.68 4.64 0.00 3.26 3.33 0.00 5.51 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 Y 7.89 5.14 0.00 3.15 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 0.00 155 R 8.47 3.73 0.00 1.93 2.04 0.00 3.35 0.00 0.00 3.33 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 2.12 0.00 156 W 8.40 4.24 0.00 3.63 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