NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1C H 4.7761 8.4449 117.8299 56.2675 29.9953 172.7956 1D H 4.6841 8.7605 118.4528 55.3838 29.5500 172.2746 1E H 5.0858 7.5894 115.9557 53.7056 33.4826 172.1530 1F H 4.6422 8.9224 117.1297 55.9094 29.1094 174.3346 1G F 4.9011 8.4112 119.5586 57.7718 39.7955 174.3065 2 N 4.6894 8.4004 117.5180 52.1512 39.2966 174.5489 3 L 4.7281 8.0338 123.4840 52.0084 43.7906 174.7875 4 P 4.4883 0.0000 0.0000 61.7147 32.1949 174.2906 5 P 4.3972 0.0000 0.0000 62.7150 32.3278 174.8766 6 G 3.9869 8.1803 105.4535 44.1288 0.0000 172.2083 7 N 4.5772 8.1424 116.0024 51.2757 40.3856 173.6503 8 Y 4.8893 7.8879 112.3176 57.9032 38.3813 177.3568 9 K 4.1318 8.5506 121.9333 58.9743 32.1822 177.4185 10 K 4.6721 7.6516 115.2532 53.4676 34.8443 173.8440 11 P 4.8570 0.0000 0.0000 63.0614 32.6374 174.8151 12 K 4.7331 9.2135 119.2425 56.2615 36.7065 174.1577 13 L 4.9468 9.2829 120.0443 53.0724 44.6714 176.3900 14 L 4.9926 8.6342 122.7485 53.4112 43.3093 174.4585 15 Y 4.7886 9.1839 126.9229 56.9761 40.1955 173.6468 16 C 4.0698 8.6768 128.8276 57.8801 32.0874 174.3950 17 S 3.7492 8.0505 122.2536 61.0210 62.6072 175.4741 18 N 4.2221 7.9683 118.9168 56.0450 38.6486 175.3589 19 G 3.9199 7.2226 101.2633 44.1831 0.0000 172.2596 20 G 3.3573 7.7837 107.1355 46.5266 0.0000 173.4251 21 H 4.8254 7.3544 115.4359 53.9629 31.5706 174.0706 22 F 5.2618 8.9725 120.8746 55.9702 40.5684 175.2833 23 L 4.5558 8.9831 126.4928 55.7121 43.2552 175.6944 24 R 4.8345 9.8841 126.6803 54.6986 33.6261 173.9141 25 I 4.8128 8.1800 126.8949 59.3860 38.1860 175.6987 26 L 4.0774 8.7470 127.7791 53.4339 42.3859 176.9368 27 P 4.1799 0.0000 0.0000 65.9422 31.2203 177.6425 28 D 4.4372 7.9213 114.1867 54.2616 39.6373 176.8998 29 G 4.0520 8.3468 109.8892 45.4873 0.0000 173.8997 30 T 4.2505 8.7637 117.9101 63.3579 69.0367 173.4645 31 V 4.8159 8.0701 124.7696 61.1591 34.0799 174.3033 32 D 4.5972 8.6064 125.9274 52.9880 42.5712 174.1703 33 G 4.4103 8.8952 104.9528 45.4463 0.0000 172.3848 34 T 4.9658 8.8178 114.5919 60.6087 70.9466 174.7095 35 R 4.2419 8.8867 125.1825 56.9085 30.8691 176.5771 36 D 4.6000 8.2744 119.0591 53.3291 39.7596 176.4224 37 R 3.8694 8.6960 125.8277 57.5446 30.1477 176.9435 38 S 4.5024 7.7940 110.2112 58.9362 64.0556 174.1571 39 D 4.3507 7.8701 121.2940 55.3481 41.1758 175.8951 40 Q 4.4635 8.5202 123.1833 56.4089 29.2559 175.6854 41 H 4.9140 9.2393 115.2726 55.4651 29.3253 175.1504 42 I 4.4851 7.4348 111.7628 60.1614 38.8563 175.4246 43 Q 4.1558 7.8892 121.2397 55.9485 29.4965 174.6555 44 L 5.1490 8.9091 125.2770 52.7916 44.9003 175.5258 45 Q 4.7993 9.3410 125.5120 54.5940 30.5147 174.3584 46 L 5.1485 8.5748 126.8464 53.9681 43.4052 176.2108 47 S 4.6723 8.6279 115.2625 56.8251 66.8477 172.7381 48 A 4.8933 8.4697 122.2833 51.2697 21.2139 177.5644 49 E 4.2532 8.6704 119.7524 56.5205 29.3673 179.6159 50 S 4.5445 6.6883 118.5701 57.0143 64.6133 173.0875 51 V 3.9108 8.1507 121.3275 64.6589 31.6904 176.3265 52 G 3.9968 9.2267 114.9619 45.1652 0.0000 172.0222 53 E 5.2413 8.0010 119.6540 54.7594 32.1091 175.5854 54 V 4.8118 8.7732 115.7383 59.9464 36.8412 173.7773 55 Y 5.1620 8.8507 120.3390 56.4814 40.9743 175.0938 56 I 4.3750 8.6299 123.4874 59.6200 39.8946 174.0836 57 K 4.6435 8.6404 129.1737 54.1428 34.8724 175.0603 58 S 4.4926 8.6616 123.1283 58.2361 62.5858 174.9069 59 T 3.8281 8.5677 118.7926 64.6094 68.6801 175.8794 60 E 4.0593 8.3634 122.7506 58.6543 29.9161 177.1062 61 T 4.2511 7.5128 105.2140 60.9814 70.1387 175.6949 62 G 3.7878 8.3001 109.6715 45.1183 0.0000 173.4996 63 Q 4.3462 7.6169 118.5342 55.9542 30.2164 174.5598 64 Y 4.7103 8.9823 119.9712 55.9173 40.3942 175.3348 65 L 4.3817 9.0296 126.0827 55.6811 43.5123 175.5184 66 A 5.0525 8.4638 124.6576 51.0450 23.1721 174.6308 67 M 5.4428 8.5821 119.5317 53.8950 34.9639 175.5682 68 D 5.5376 9.8199 126.1038 51.6188 41.1369 177.1863 69 T 4.1962 8.5498 108.7302 64.0504 68.5658 174.4286 70 D 4.6738 8.6527 121.3386 53.9510 41.3234 177.0783 71 G 3.3671 8.9736 108.3415 45.4380 0.0000 172.9200 72 L 4.7249 7.7979 119.3449 53.4908 43.3418 176.0637 73 L 5.1471 8.5338 123.0624 54.9307 43.0148 175.5191 74 Y 4.9382 8.7264 119.1010 55.9559 41.8372 173.6128 75 G 4.1952 9.1025 109.1824 45.5007 0.0000 173.2545 76 S 5.0656 9.4108 120.9851 56.8838 64.7992 174.7700 77 Q 4.3803 8.8655 122.4002 57.3130 29.2702 176.1819 78 T 4.6420 7.3437 105.1776 59.0300 72.0309 172.7607 79 P 3.8399 0.0000 0.0000 61.1350 29.9852 174.8551 80 N 4.9796 7.3600 123.2111 51.7651 40.1215 175.8908 81 E 3.9504 8.6600 114.3970 59.8984 29.7531 178.4300 82 E 4.0734 7.9885 117.7188 58.0210 29.6607 177.6764 83 S 5.1994 7.6540 113.4440 57.4416 64.0635 173.9775 84 L 4.2460 7.3240 121.2801 53.7576 42.8371 175.8493 85 F 5.1312 8.9590 122.0019 55.5630 43.3058 174.4465 86 L 4.7712 9.2352 123.2568 53.6309 42.5945 175.6362 87 E 4.2862 8.7654 126.9986 55.5188 30.0681 175.8856 88 R 4.8257 8.6732 125.7801 54.0456 34.7147 174.7061 89 L 4.7412 8.6575 123.5654 55.0559 43.1682 175.7582 90 E 4.7078 8.9952 124.6910 55.1522 33.5640 175.0033 91 E 3.9532 9.7354 123.6962 57.8552 27.3173 174.4937 92 N 4.3036 8.6190 110.5046 54.3257 36.6083 174.0216 93 H 4.8425 8.4870 116.3671 57.8840 35.0476 173.5865 94 Y 4.5753 7.7212 115.8858 57.9840 39.6011 173.5970 95 N 5.4832 9.7623 118.9726 51.9840 41.0657 174.5545 96 T 5.2891 8.9783 112.8247 60.1576 73.0358 172.5977 97 Y 5.0393 8.6066 118.8923 56.6319 41.5690 174.2762 98 I 4.5777 8.6119 126.0056 59.3330 39.5819 175.5019 99 S 4.0702 8.8532 122.2215 58.4064 62.3744 173.9727 100 K 3.9527 8.7347 129.3622 59.4033 32.2569 178.6380 101 K 3.7432 7.8880 118.0836 59.0654 32.2125 176.6330 102 H 4.5974 7.9121 115.1801 54.9723 29.5453 176.2923 103 A 3.9568 7.7539 125.5816 55.4065 18.3361 180.9522 104 E 3.9218 7.9674 113.8111 58.8461 29.6032 177.8222 105 K 4.1090 7.4950 116.1108 55.4509 32.6116 175.9770 106 N 3.9402 7.5966 115.6634 53.9786 36.5158 174.7869 107 W 4.9851 7.7039 117.5697 55.8594 30.8845 177.1805 108 F 5.3869 9.0350 123.9792 55.5594 40.8284 175.8986 109 V 3.9551 8.9825 121.9986 63.1336 32.5451 175.2161 110 G 4.4490 8.5016 112.1775 45.5581 0.0000 171.6183 111 L 5.3320 8.4224 121.5194 52.4227 44.7157 177.2068 112 K 4.2371 9.1270 123.0950 55.6363 32.8080 178.4378 113 K 3.9448 8.3945 119.6319 59.1562 31.9824 178.1533 114 N 4.4626 7.9995 114.3119 53.4261 38.0023 175.9152 115 G 3.5213 8.3339 109.0189 44.8731 0.0000 173.5815 116 S 4.6411 8.8873 115.4406 57.1173 64.3317 173.2744 117 C 4.6306 8.3804 122.4243 59.8195 32.0159 172.8060 118 K 4.5421 8.7689 124.6873 55.2784 33.4682 176.5534 119 R 4.2380 8.3548 122.2040 55.3029 31.4852 177.5078 120 G 3.3010 8.7290 113.2752 48.2543 0.0000 174.1751 121 P 4.1384 0.0000 0.0000 64.4293 31.3501 177.2785 122 R 4.4402 7.7531 115.8826 55.8457 30.1696 175.8532 123 T 5.2641 7.4547 108.1358 59.4776 71.2593 172.9888 124 H 4.6997 7.8816 115.0593 55.0231 30.3848 173.1569 125 Y 3.9735 8.7823 118.4098 59.8786 38.2087 175.7816 126 G 4.2325 9.0631 112.2971 46.4282 0.0000 174.6935 127 Q 4.1068 7.6965 118.0089 55.7148 29.5318 177.1089 128 K 3.9233 8.2311 118.0368 57.5622 33.0183 179.1270 129 A 3.9621 7.7255 121.8906 54.1721 18.4210 178.5133 130 I 4.5392 7.1799 106.3264 60.3211 38.6663 175.4023 131 L 4.3385 7.2163 122.9654 54.2388 42.3242 175.8886 132 F 5.3901 9.4834 122.8664 55.5190 43.3032 174.4824 133 L 5.1420 9.2842 122.9151 52.6667 44.8458 174.0089 134 P 5.2191 0.0000 0.0000 63.1338 32.3886 175.7881 135 L 5.0064 9.0912 121.4331 52.2259 46.1567 174.3218 136 P 4.6821 0.0000 0.0000 62.7508 32.3151 176.7455 137 V 3.7267 8.1502 113.0081 61.8348 31.5678 176.3303 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 1C H 8.44 4.78 0.00 3.09 3.43 0.00 5.64 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1D H 8.76 4.68 0.00 3.17 3.23 0.00 5.64 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1E H 7.59 5.09 0.00 3.13 3.27 0.00 5.71 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1F H 8.92 4.64 0.00 3.33 3.39 0.00 5.66 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1G F 8.41 4.90 0.00 2.90 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 2 N 8.40 4.69 0.00 2.95 2.78 0.00 0.00 6.88 6.74 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 3 L 8.03 4.73 0.00 1.46 1.41 0.55 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.49 0.00 2.23 2.07 0.00 3.68 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.90 0.00 5 P 0.00 4.40 0.00 2.18 2.06 0.00 3.74 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 1.97 1.95 0.00 6 G 8.18 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 7 N 8.14 4.58 0.00 2.63 2.65 0.00 0.00 5.93 7.55 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 8 Y 7.89 4.89 0.00 3.05 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 9 K 8.55 4.13 0.00 1.91 1.90 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.43 7.81 10 K 7.65 4.67 0.00 1.73 1.71 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.40 7.81 11 P 0.00 4.86 0.00 2.06 2.14 0.00 3.78 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 12 K 9.21 4.73 0.00 2.01 1.97 0.00 1.36 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.37 1.66 7.81 13 L 9.28 4.95 0.00 1.65 1.60 0.22 0.71 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 14 L 8.63 4.99 0.00 1.66 1.77 0.42 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 9.18 4.79 0.00 3.27 3.18 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 16 C 8.68 4.07 0.00 2.39 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 17 S 8.05 3.75 0.00 3.87 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 N 7.97 4.22 0.00 2.60 2.73 0.00 0.00 6.70 7.98 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 19 G 7.22 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 20 G 7.78 3.36 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 21 H 7.35 4.83 0.00 3.03 3.24 0.00 5.80 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 F 8.97 5.26 0.00 3.18 2.99 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 0.00 0.00 0.00 23 L 8.98 4.56 0.00 1.92 1.58 0.99 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 24 R 9.88 4.83 0.00 1.84 2.06 0.00 3.32 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.69 0.00 25 I 8.18 4.81 1.83 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.72 0.87 0.00 0.00 26 L 8.75 4.08 0.00 1.88 1.52 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.18 0.00 1.99 2.10 0.00 3.55 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.92 0.00 28 D 7.92 4.44 0.00 2.77 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 29 G 8.35 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 30 T 8.76 4.25 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 31 V 8.07 4.82 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.93 0.00 0.00 32 D 8.61 4.60 0.00 2.87 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 33 G 8.90 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 34 T 8.82 4.97 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 35 R 8.89 4.24 0.00 1.88 1.97 0.00 3.22 0.00 0.00 3.05 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 36 D 8.27 4.60 0.00 2.83 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 37 R 8.70 3.87 0.00 2.01 1.95 0.00 3.38 0.00 0.00 3.14 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 1.55 0.00 38 S 7.79 4.50 0.00 3.98 3.95 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 0.00 0.00 0.00 39 D 7.87 4.35 0.00 2.78 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 40 Q 8.52 4.46 0.00 1.91 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.04 0.00 0.00 0.00 0.00 0.00 2.26 2.25 0.00 41 H 9.24 4.91 0.00 3.32 3.40 0.00 5.78 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.43 4.49 1.88 0.00 0.00 0.64 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 0.91 1.06 0.00 0.00 43 Q 7.89 4.16 0.00 2.03 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.91 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 44 L 8.91 5.15 0.00 1.50 1.45 0.83 0.83 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 45 Q 9.34 4.80 0.00 2.11 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.86 0.00 0.00 0.00 0.00 0.00 2.28 2.38 0.00 46 L 8.57 5.15 0.00 1.69 1.38 0.88 1.06 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 47 S 8.63 4.67 0.00 3.93 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 48 A 8.47 4.89 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 49 E 8.67 4.25 0.00 1.62 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 2.18 2.33 0.00 50 S 6.69 4.54 0.00 4.04 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 51 V 8.15 3.91 2.33 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 0.99 0.00 0.00 1.04 0.00 0.00 52 G 9.23 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 53 E 8.00 5.24 0.00 1.84 1.69 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 2.22 2.28 0.00 54 V 8.77 4.81 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 0.51 0.00 0.00 1.14 0.00 0.00 55 Y 8.85 5.16 0.00 2.97 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 56 I 8.63 4.37 1.68 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.53 0.67 0.00 0.00 57 K 8.64 4.64 0.00 1.40 1.53 0.00 1.21 0.00 0.00 1.19 0.00 0.00 2.67 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.91 0.26 7.81 58 S 8.66 4.49 0.00 3.85 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 59 T 8.57 3.83 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 1.17 0.00 0.00 60 E 8.36 4.06 0.00 2.00 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 2.21 2.36 0.00 61 T 7.51 4.25 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 62 G 8.30 3.79 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 0.00 0.00 0.00 63 Q 7.62 4.35 0.00 1.98 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 6.73 0.00 0.00 0.00 0.00 0.00 2.38 2.31 0.00 64 Y 8.98 4.71 0.00 2.93 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 65 L 9.03 4.38 0.00 1.59 1.49 0.79 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 66 A 8.46 5.05 0.67 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 67 M 8.58 5.44 0.00 2.27 2.26 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.73 0.00 68 D 9.82 5.54 0.00 2.94 2.83 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 69 T 8.55 4.20 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 1.33 0.00 0.00 70 D 8.65 4.67 0.00 2.80 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 71 G 8.97 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 L 7.80 4.72 0.00 1.99 1.64 0.90 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.53 5.15 0.00 1.57 1.61 0.90 0.88 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 74 Y 8.73 4.94 0.00 3.00 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 75 G 9.10 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 0.00 0.00 0.00 0.00 76 S 9.41 5.07 0.00 3.57 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 77 Q 8.87 4.38 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.57 0.00 0.00 0.00 0.00 0.00 2.41 2.33 0.00 78 T 7.34 4.64 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 1.20 0.00 0.00 79 P 0.00 3.84 0.00 0.51 0.49 0.00 3.35 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.21 0.00 80 N 7.36 4.98 0.00 2.86 2.97 0.00 0.00 5.86 7.66 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 E 8.66 3.95 0.00 2.11 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 2.35 2.30 0.00 82 E 7.99 4.07 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 83 S 7.65 5.20 0.00 4.02 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 84 L 7.32 4.25 0.00 1.53 1.32 0.81 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 85 F 8.96 5.13 0.00 3.08 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 86 L 9.24 4.77 0.00 1.52 1.60 0.86 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 87 E 8.77 4.29 0.00 2.16 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 0.00 2.21 1.90 0.00 88 R 8.67 4.83 0.00 1.78 1.79 0.00 3.17 0.00 0.00 2.90 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.63 0.00 89 L 8.66 4.74 0.00 1.61 1.61 1.02 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 90 E 9.00 4.71 0.00 2.23 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 2.30 2.43 0.00 91 E 9.74 3.95 0.00 2.42 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 0.00 2.30 2.39 0.00 92 N 8.62 4.30 0.00 2.84 2.88 0.00 0.00 6.85 8.16 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 93 H 8.49 4.84 0.00 2.80 2.84 0.00 5.95 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 94 Y 7.72 4.58 0.00 2.99 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 95 N 9.76 5.48 0.00 3.06 2.69 0.00 0.00 6.93 6.61 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 96 T 8.98 5.29 4.55 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 1.36 0.00 0.00 97 Y 8.61 5.04 0.00 2.74 2.81 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 98 I 8.61 4.58 1.67 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.64 0.63 0.00 0.00 99 S 8.85 4.07 0.00 4.06 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 0.00 100 K 8.73 3.95 0.00 1.67 1.64 0.00 1.60 0.00 0.00 1.46 0.00 0.00 2.79 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.30 7.81 101 K 7.89 3.74 0.00 1.57 1.59 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.01 1.31 7.81 102 H 7.91 4.60 0.00 3.15 2.39 0.00 5.68 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 7.75 3.96 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 0.00 104 E 7.97 3.92 0.00 1.81 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 2.02 1.89 0.00 105 K 7.50 4.11 0.00 0.79 1.31 0.00 0.61 0.00 0.00 0.90 0.00 0.00 2.53 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.06 0.87 7.81 106 N 7.60 3.94 0.00 3.01 3.06 0.00 0.00 6.88 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 0.00 107 W 7.70 4.99 0.00 3.27 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 0.00 108 F 9.03 5.39 0.00 2.89 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 0.00 109 V 8.98 3.96 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 0.60 0.00 0.00 0.52 0.00 0.00 110 G 8.50 4.45 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 0.00 111 L 8.42 5.33 0.00 1.38 1.47 1.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 112 K 9.13 4.24 0.00 1.97 1.68 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.41 1.47 7.81 113 K 8.39 3.94 0.00 1.71 1.84 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.28 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.62 1.37 7.81 114 N 8.00 4.46 0.00 2.78 2.91 0.00 0.00 6.32 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 G 8.33 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 0.00 116 S 8.89 4.64 0.00 3.95 3.95 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 0.00 0.00 0.00 117 C 8.38 4.63 0.00 3.01 2.95 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 0.00 0.00 0.00 118 K 8.77 4.54 0.00 1.75 1.67 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.37 1.37 7.81 119 R 8.35 4.24 0.00 1.59 1.59 0.00 3.07 0.00 0.00 3.28 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.55 0.00 120 G 8.73 3.30 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 0.00 121 P 0.00 4.14 0.00 1.87 2.12 0.00 3.02 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.25 0.00 122 R 7.75 4.44 0.00 1.82 1.90 0.00 3.26 0.00 0.00 3.26 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.63 0.00 123 T 7.45 5.26 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 124 H 7.88 4.70 0.00 3.46 3.54 0.00 5.67 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 0.00 125 Y 8.78 3.97 0.00 3.12 2.90 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 0.00 126 G 9.06 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 0.00 0.00 0.00 0.00 127 Q 7.70 4.11 0.00 1.84 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 6.66 0.00 0.00 0.00 0.00 0.00 2.19 2.09 0.00 128 K 8.23 3.92 0.00 1.61 1.62 0.00 1.49 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.25 7.81 129 A 7.73 3.96 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 0.00 130 I 7.18 4.54 1.71 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.87 0.63 0.00 0.00 131 L 7.22 4.34 0.00 1.22 0.79 0.26 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 132 F 9.48 5.39 0.00 3.36 3.13 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 0.00 133 L 9.28 5.14 0.00 1.97 1.83 0.91 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 5.22 0.00 2.22 2.20 0.00 3.90 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 2.07 2.11 0.00 135 L 9.09 5.01 0.00 1.68 1.59 1.06 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 136 P 0.00 4.68 0.00 2.06 2.06 0.00 3.78 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 137 V 8.15 3.73 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 0.64 0.00 0.00 0.91 0.00 0.00