NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.2571 8.3344 115.2787 57.9714 64.0555 171.6857 3 E 3.9444 8.4623 124.4977 56.6106 26.3691 175.5437 4 H 4.7372 7.9679 112.6595 55.4771 30.1004 174.1839 5 E 4.1844 7.9030 121.5537 56.4829 30.5091 175.7851 6 R 5.6940 8.4473 123.6829 53.9122 34.0737 174.4848 7 T 4.7712 8.1835 114.2298 60.6188 71.7604 171.8365 8 F 5.2120 9.1013 128.4838 57.1334 41.1233 174.7693 9 V 4.6259 7.9612 124.9267 61.4637 35.7140 173.9638 10 M 4.7526 8.7003 126.3116 54.0689 35.8737 173.8897 11 V 4.2251 8.7547 127.8044 62.9962 32.8276 176.0289 12 K 4.6902 9.0283 128.2091 55.2078 33.4048 176.5934 13 P 4.4324 0.0000 0.0000 65.3622 30.5139 178.7109 14 D 4.6607 8.3776 118.3829 56.3366 39.6777 178.7339 15 G 3.6528 8.1251 106.7653 47.2392 0.0000 175.7882 16 V 3.6410 7.9993 120.5363 66.0016 31.4200 178.0628 17 Q 4.0770 7.8722 116.2119 59.1495 28.7738 178.6886 18 R 4.2520 7.9133 115.3433 56.1093 30.6752 176.3256 19 G 3.7352 8.0857 106.0068 47.2091 0.0000 174.1282 20 L 4.5660 7.6564 114.8272 54.1835 42.9770 179.8764 21 I 3.8380 7.9700 121.2858 64.4359 37.1179 177.8826 22 G 3.6579 7.9527 105.9143 48.1281 0.0000 174.7719 23 D 4.3963 8.0618 121.5066 57.2550 40.6715 179.3219 24 I 3.4872 7.3096 119.6976 64.1065 37.0277 178.7047 25 V 3.9361 8.0165 119.2584 66.0079 31.3911 178.2420 26 S 4.2234 8.5872 115.5063 61.6410 62.4754 176.9365 27 R 3.8335 7.4289 120.8930 59.1661 29.8518 179.1654 28 F 4.1412 7.1262 117.5607 60.3258 38.6949 177.7091 29 E 4.2573 8.6201 118.7119 59.6800 29.1043 179.0278 30 D 4.4078 8.3251 118.1524 57.4642 40.9586 178.6439 31 R 4.0484 7.5307 117.7990 57.7046 30.1934 177.3114 32 G 4.0042 7.9918 106.5802 44.8846 0.0000 173.8598 33 L 4.3739 7.0294 118.6565 55.2306 42.4609 176.5247 34 K 4.7674 9.3428 124.3706 54.7032 34.5497 174.7401 35 M 3.8082 8.8138 127.8112 55.5218 32.5566 175.8771 36 V 4.6185 8.7702 117.6074 60.8560 34.6437 175.4118 37 G 3.9195 7.4138 107.8622 44.5177 0.0000 172.2406 38 G 4.4145 8.4885 110.1204 44.7506 0.0000 172.5471 39 K 4.5799 8.4555 126.3143 55.4089 35.7064 174.3399 40 F 5.3707 9.2742 131.7078 58.0246 40.0084 174.2174 41 M 4.7485 8.5556 122.8367 54.0693 35.4200 173.5948 42 Q 4.7461 8.2858 120.3085 53.9888 30.5891 175.1477 43 I 3.7006 8.3482 128.2404 61.4596 37.8269 176.6285 44 D 4.7534 8.2185 124.7259 51.8773 42.6736 177.5044 45 Q 3.9701 8.4151 117.7137 59.1146 28.6759 178.6576 46 E 3.9210 8.2280 117.9713 59.7060 29.3350 178.9339 47 L 3.7323 8.6691 121.6515 57.2804 42.1663 178.5006 48 A 3.9564 8.1126 120.9585 55.5376 18.1482 179.6098 49 E 4.2658 8.4546 115.8737 59.4157 29.5719 178.9427 50 E 4.0892 8.1247 118.9918 59.3810 29.7660 177.9393 51 H 4.2864 8.4922 117.8394 58.6662 30.1414 176.1298 52 Y 5.1682 7.9901 117.9742 57.9435 39.2518 178.3395 53 G 3.7109 8.3276 109.6967 47.8470 0.0000 175.3638 54 E 4.0533 8.3105 117.5681 58.6447 29.7107 177.1796 55 H 4.8870 8.4045 116.4238 55.5859 29.3028 175.8831 56 E 2.5880 7.9098 121.4220 59.4068 29.1306 178.5222 57 D 4.4100 7.6386 114.7210 55.2768 41.8250 177.0886 58 K 4.0312 7.4541 120.4919 55.0627 32.6175 175.9624 59 P 4.2349 0.0000 0.0000 66.0158 31.1217 177.4095 60 F 4.4769 7.7518 111.8994 57.4196 38.7126 176.5149 61 F 3.9237 7.8949 124.6850 61.8438 38.9540 176.7003 62 D 4.4012 8.3441 118.0538 56.4160 39.2040 178.5385 63 G 3.5783 8.0626 106.7090 47.3634 0.0000 175.2781 64 L 3.9348 7.8590 122.7487 57.9500 41.6087 179.3220 65 V 3.6099 7.6107 118.1986 66.0446 31.1877 177.7816 66 D 4.3916 8.0968 118.0103 57.1184 40.8798 178.3254 67 F 4.5057 8.3102 121.2746 61.3752 39.3614 176.9007 68 I 3.4270 7.4772 115.1628 62.9288 37.6590 176.7193 69 T 4.3216 7.3846 115.0570 65.1490 68.8221 176.7442 70 S 4.0572 8.0088 115.8594 60.1927 63.1250 173.9085 71 G 4.0006 6.5759 108.8103 43.7491 0.0000 171.0378 72 P 4.4191 0.0000 0.0000 62.7207 32.2725 176.0217 73 V 4.4465 8.4794 114.5780 59.7053 35.5230 174.6931 74 F 5.4098 8.7426 123.8447 56.7115 41.0963 173.7522 75 A 4.7039 8.4195 128.9185 51.2378 20.3642 175.8495 76 M 4.9581 9.0572 120.5286 53.3812 37.0284 174.4217 77 V 4.6790 8.1248 121.0505 60.8805 34.5678 174.3675 78 W 5.1251 8.7592 126.9851 54.7678 32.6993 174.0453 79 E 5.1284 10.2396 124.8415 53.6344 32.4719 175.1968 80 G 4.4566 8.4446 114.9093 45.5382 0.0000 171.4728 81 Q 4.1565 8.6897 122.2254 57.1514 29.6052 175.9119 82 D 4.3569 9.4640 125.2623 54.6791 40.8132 175.1747 83 A 3.9990 7.8892 120.3134 55.3237 17.7115 180.2680 84 T 3.7790 7.9511 113.2902 66.7664 68.5366 176.9298 85 R 3.5761 7.8459 119.9658 59.4309 30.1789 178.2169 86 Q 3.9588 8.1158 117.8553 59.1281 28.7257 179.1808 87 V 3.6404 8.1390 119.4981 66.1306 31.0102 178.3336 88 R 4.0176 7.7497 117.0570 59.3820 29.6393 179.1424 89 T 3.9398 7.9168 115.0656 66.9694 68.6660 176.3367 90 M 4.2228 8.2939 120.6176 58.5907 31.8723 178.6859 91 M 4.1496 8.1809 119.0803 58.6780 32.4136 174.9031 92 G 4.0788 7.8124 102.3158 44.0980 0.0000 172.5259 93 E 4.4063 8.0128 122.2875 55.1400 30.9878 177.7402 94 T 3.9863 8.5832 118.1447 66.5991 68.8077 174.6237 95 D 4.5398 7.9682 121.7838 52.9273 41.8793 175.0278 96 P 4.2485 0.0000 0.0000 65.4457 31.5307 177.6189 97 A 4.3674 8.0301 118.3811 52.9699 18.4277 177.3589 98 E 4.6496 7.9591 113.9849 55.8939 30.5496 175.8909 99 S 4.6929 7.5830 114.6405 56.8016 64.8139 173.8595 100 A 4.3818 8.1533 126.2116 50.4961 19.5325 175.4214 101 P 4.5908 0.0000 0.0000 64.0711 31.9298 176.1195 102 G 4.0715 9.8887 111.7759 46.1337 0.0000 175.1062 103 T 4.4104 7.8278 110.0283 60.8706 71.2515 175.8847 104 I 3.8165 8.4645 123.4793 64.9082 37.1287 179.2273 105 R 4.1645 8.3783 119.1620 59.1479 29.7057 179.3543 106 G 3.5782 8.3083 104.7726 47.1908 0.0000 174.5329 107 D 4.5130 7.6556 118.8931 54.7912 41.7066 176.6543 108 Y 4.8147 7.8609 113.3366 57.0872 39.9138 175.1762 109 G 4.3926 8.2881 107.8475 43.6744 0.0000 172.6841 110 L 4.5552 8.3547 115.5981 55.0353 45.6000 176.7434 111 D 4.8636 7.7149 116.9882 51.8566 43.1038 176.2066 112 L 3.9360 8.7806 128.2315 58.3446 41.9708 178.0535 113 G 3.8447 7.8309 103.5068 45.5519 0.0000 174.1311 114 R 4.3857 7.5967 118.6321 54.6359 30.1614 174.3847 115 N 4.9431 7.9755 114.3496 52.3875 38.6705 179.2130 116 V 3.7326 9.2490 115.8464 63.2100 31.7122 172.2483 117 I 5.1188 8.1929 116.7347 60.0440 41.4007 173.5580 118 H 5.0961 9.7121 126.1951 54.3753 33.2678 172.4078 119 G 4.3354 8.2242 110.5330 44.0752 0.0000 172.2902 120 S 4.5982 8.7077 119.8570 58.1286 63.3741 174.0417 121 D 4.5430 8.8589 123.9762 54.0421 41.2897 176.6356 122 H 4.4212 8.9404 122.7136 57.9399 28.9208 176.0562 123 E 4.1247 8.4906 118.8889 57.2555 29.8884 176.5053 124 D 4.6190 7.5022 119.4361 51.6731 39.8222 173.4919 125 E 4.1202 8.3414 121.2185 57.7443 30.0599 178.3056 126 G 3.9470 9.1283 112.1588 45.1395 0.0000 174.6599 127 A 4.0306 8.5944 122.8475 55.2393 18.2329 179.1647 128 N 4.3410 8.2856 114.9443 56.4327 37.0898 177.0202 129 E 3.9693 8.1572 120.4075 59.0657 29.6701 179.3177 130 R 3.9360 7.9040 117.8014 59.3799 29.6856 179.0685 131 E 3.9408 8.4342 118.3374 59.3102 29.4825 179.3284 132 I 3.9686 8.1004 120.3352 64.6084 37.0639 178.4148 133 E 4.3679 8.3749 117.1999 59.3058 29.3932 178.5008 134 L 3.8981 7.9401 120.7474 57.4702 42.1595 178.0825 135 F 4.1871 7.8204 115.4805 56.8191 40.1163 176.1591 136 F 5.0474 8.3014 116.5489 55.3949 41.7383 174.8823 137 D 4.6627 9.8759 125.6937 53.7558 41.8137 177.2270 138 E 4.0166 9.0831 122.1784 59.8349 29.6449 179.5783 139 D 4.4517 8.0706 116.5788 56.1223 39.5638 177.1924 140 E 4.2136 8.4415 118.5088 57.8946 29.8216 176.6820 141 L 4.6998 7.4387 118.2701 53.6070 43.4079 176.4294 142 V 4.3600 8.1478 121.0273 61.2105 33.9950 174.3226 143 D 4.9272 8.9380 128.5821 53.2162 41.8112 175.1494 144 W 5.2348 8.5748 121.8973 55.6298 31.1643 173.0802 145 D 4.5814 8.7030 117.4482 52.4081 42.8984 175.3772 146 Q 4.1311 8.7323 125.5868 56.5815 29.6858 178.0023 147 I 3.3527 7.6860 125.8249 63.6177 38.3277 176.8522 148 D 4.4776 8.1960 118.6720 57.5443 40.4318 178.5115 149 S 4.0178 8.5414 113.8766 61.8273 62.0727 176.3699 150 S 4.0929 7.5656 113.6657 59.9045 62.1746 174.3402 151 W 4.5815 8.1481 119.3308 56.6270 30.2548 176.6574 152 L 4.0928 7.6217 117.7254 55.9211 41.6536 176.4418 153 Y 4.8087 7.2202 116.8677 56.5933 41.0739 176.0644 *154 E 4.1406 8.8111 117.3305 56.2877 30.5309 175.8985 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 S 8.33 4.26 0.00 3.80 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 3 E 8.46 3.94 0.00 1.73 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 1.48 1.47 0.00 4 H 7.97 4.74 0.00 3.10 3.24 0.00 5.95 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 5 E 7.90 4.18 0.00 2.03 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 2.35 0.00 6 R 8.45 5.69 0.00 1.69 1.76 0.00 3.26 0.00 0.00 3.77 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 7 T 8.18 4.77 4.26 0.00 0.00 0.00 0.00 0.00 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 8 F 9.10 5.21 0.00 3.22 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 9 V 7.96 4.63 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.80 0.00 0.00 10 M 8.70 4.75 0.00 1.93 1.13 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 11 V 8.75 4.23 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 1.14 0.00 0.00 12 K 9.03 4.69 0.00 2.05 1.82 0.00 2.03 0.00 0.00 1.95 0.00 0.00 3.05 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.57 1.53 7.81 13 P 0.00 4.43 0.00 1.82 2.07 0.00 2.88 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.99 0.00 14 D 8.38 4.66 0.00 3.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 G 8.13 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 16 V 8.00 3.64 2.21 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 1.26 0.00 0.00 1.11 0.00 0.00 17 Q 7.87 4.08 0.00 2.23 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.76 0.00 0.00 0.00 0.00 0.00 2.51 2.62 0.00 18 R 7.91 4.25 0.00 1.88 1.99 0.00 3.25 0.00 0.00 3.28 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.77 0.00 19 G 8.09 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 20 L 7.66 4.57 0.00 1.52 1.21 0.74 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 21 I 7.97 3.84 1.69 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 1.51 0.91 0.49 0.00 0.00 22 G 7.95 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 23 D 8.06 4.40 0.00 2.42 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 24 I 7.31 3.49 1.91 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 1.24 0.40 0.77 0.00 0.00 25 V 8.02 3.94 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 1.55 0.00 0.00 1.35 0.00 0.00 26 S 8.59 4.22 0.00 4.09 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 27 R 7.43 3.83 0.00 1.50 1.65 0.00 3.17 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 28 F 7.13 4.14 0.00 1.73 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 29 E 8.62 4.26 0.00 2.17 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 2.73 3.00 0.00 30 D 8.33 4.41 0.00 2.76 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 31 R 7.53 4.05 0.00 1.85 2.16 0.00 3.28 0.00 0.00 3.22 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 32 G 7.99 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 33 L 7.03 4.37 0.00 1.80 1.82 0.67 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 34 K 9.34 4.77 0.00 1.64 1.69 0.00 0.61 0.00 0.00 0.72 0.00 0.00 2.56 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.14 0.74 7.81 35 M 8.81 3.81 0.00 1.86 0.73 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.25 0.00 36 V 8.77 4.62 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 0.74 0.00 0.00 0.83 0.00 0.00 37 G 7.41 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 38 G 8.49 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 39 K 8.46 4.58 0.00 1.95 1.58 0.00 1.56 0.00 0.00 1.50 0.00 0.00 2.13 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.26 1.41 7.81 40 F 9.27 5.37 0.00 3.31 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 M 8.56 4.75 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.57 0.00 42 Q 8.29 4.75 0.00 1.95 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.95 0.00 0.00 0.00 0.00 0.00 2.19 2.36 0.00 43 I 8.35 3.70 1.85 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.67 0.88 0.00 0.00 44 D 8.22 4.75 0.00 2.90 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 45 Q 8.42 3.97 0.00 2.08 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.87 0.00 0.00 0.00 0.00 0.00 2.45 2.38 0.00 46 E 8.23 3.92 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.32 0.00 47 L 8.67 3.73 0.00 1.58 1.59 0.27 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 48 A 8.11 3.96 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 49 E 8.45 4.27 0.00 2.09 2.30 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 2.69 2.47 0.00 50 E 8.12 4.09 0.00 2.13 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 2.26 2.28 0.00 51 H 8.49 4.29 0.00 2.99 3.17 0.00 5.80 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 Y 7.99 5.17 0.00 3.15 3.09 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 53 G 8.33 3.71 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 0.00 0.00 0.00 54 E 8.31 4.05 0.00 2.05 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 1.85 2.20 0.00 55 H 8.40 4.89 0.00 3.62 3.23 0.00 5.66 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 E 7.91 2.59 0.00 1.89 1.74 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 1.80 1.95 0.00 57 D 7.64 4.41 0.00 2.54 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 58 K 7.45 4.03 0.00 1.49 0.74 0.00 1.56 0.00 0.00 1.60 0.00 0.00 3.20 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.32 1.33 7.81 59 P 0.00 4.23 0.00 2.25 2.23 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 2.11 2.03 0.00 60 F 7.75 4.48 0.00 3.23 3.33 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 61 F 7.89 3.92 0.00 3.25 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 62 D 8.34 4.40 0.00 2.98 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 63 G 8.06 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 L 7.86 3.93 0.00 1.87 1.52 0.75 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 65 V 7.61 3.61 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 0.97 0.00 0.00 0.27 0.00 0.00 66 D 8.10 4.39 0.00 2.86 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 67 F 8.31 4.51 0.00 3.08 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 68 I 7.48 3.43 2.24 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 1.64 1.44 1.01 0.00 0.00 69 T 7.38 4.32 4.60 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 1.25 0.00 0.00 70 S 8.01 4.06 0.00 4.08 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 0.00 71 G 6.58 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 72 P 0.00 4.42 0.00 1.15 1.77 0.00 3.74 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 73 V 8.48 4.45 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 0.66 0.00 0.00 0.94 0.00 0.00 74 F 8.74 5.41 0.00 3.35 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 75 A 8.42 4.70 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 76 M 9.06 4.96 0.00 1.58 2.03 0.00 0.00 0.00 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.28 0.00 77 V 8.12 4.68 1.74 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 0.99 0.00 0.00 0.19 0.00 0.00 78 W 8.76 5.13 0.00 3.06 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 79 E 10.24 5.13 0.00 1.94 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 2.16 2.36 0.00 80 G 8.44 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 8.69 4.16 0.00 1.76 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.68 0.00 0.00 0.00 0.00 0.00 2.39 2.25 0.00 82 D 9.46 4.36 0.00 2.87 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 A 7.89 4.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 T 7.95 3.78 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 85 R 7.85 3.58 0.00 1.74 2.01 0.00 3.15 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.34 0.00 86 Q 8.12 3.96 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.57 0.00 0.00 0.00 0.00 0.00 2.64 2.53 0.00 87 V 8.14 3.64 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 0.93 0.00 0.00 0.49 0.00 0.00 88 R 7.75 4.02 0.00 2.16 2.02 0.00 3.43 0.00 0.00 3.37 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 89 T 7.92 3.94 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 90 M 8.29 4.22 0.00 2.10 2.38 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 2.60 0.00 91 M 8.18 4.15 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.98 2.67 0.00 92 G 7.81 4.08 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 0.00 0.00 0.00 93 E 8.01 4.41 0.00 1.96 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 0.00 2.30 2.34 0.00 94 T 8.58 3.99 4.26 0.00 0.00 0.00 0.00 0.00 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 95 D 7.97 4.54 0.00 2.67 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 96 P 0.00 4.25 0.00 2.22 2.28 0.00 3.69 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.12 0.00 97 A 8.03 4.37 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 98 E 7.96 4.65 0.00 1.96 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 2.37 0.00 99 S 7.58 4.69 0.00 4.02 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 0.00 100 A 8.15 4.38 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 0.00 101 P 0.00 4.59 0.00 2.01 1.94 0.00 3.62 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00 102 G 9.89 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 T 7.83 4.41 4.44 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 1.24 0.00 0.00 104 I 8.46 3.82 1.92 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 1.52 0.95 1.00 0.00 0.00 105 R 8.38 4.16 0.00 1.93 2.01 0.00 3.40 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.90 0.00 106 G 8.31 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 D 7.66 4.51 0.00 2.06 1.92 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 0.00 108 Y 7.86 4.81 0.00 3.08 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 0.00 109 G 8.29 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 L 8.35 4.56 0.00 1.56 1.64 0.92 0.98 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 0.00 111 D 7.71 4.86 0.00 2.69 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 0.00 0.00 0.00 0.00 112 L 8.78 3.94 0.00 1.72 1.64 0.88 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 113 G 7.83 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 0.00 114 R 7.60 4.39 0.00 1.54 1.70 0.00 3.07 0.00 0.00 3.01 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.39 0.00 115 N 7.98 4.94 0.00 2.94 3.02 0.00 0.00 6.10 7.68 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 0.00 116 V 9.25 3.73 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 1.00 0.00 0.00 117 I 8.19 5.12 1.94 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.79 1.05 0.00 0.00 118 H 9.71 5.10 0.00 3.35 3.15 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 G 8.22 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 0.00 0.00 0.00 0.00 120 S 8.71 4.60 0.00 3.85 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 0.00 121 D 8.86 4.54 0.00 2.75 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 H 8.94 4.42 0.00 3.34 3.43 0.00 5.57 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 E 8.49 4.12 0.00 1.99 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 2.21 1.80 0.00 124 D 7.50 4.62 0.00 2.74 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 0.00 125 E 8.34 4.12 0.00 2.13 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 2.29 2.28 0.00 126 G 9.13 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 0.00 0.00 0.00 127 A 8.59 4.03 1.54 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 0.00 0.00 128 N 8.29 4.34 0.00 3.11 3.18 0.00 0.00 6.22 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 0.00 129 E 8.16 3.97 0.00 2.15 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.36 0.00 130 R 7.90 3.94 0.00 2.03 1.99 0.00 3.14 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.95 0.00 131 E 8.43 3.94 0.00 2.31 1.76 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 2.38 2.51 0.00 132 I 8.10 3.97 2.07 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.82 0.97 0.00 0.00 133 E 8.37 4.37 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 2.32 2.59 0.00 134 L 7.94 3.90 0.00 1.71 1.79 0.72 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 135 F 7.82 4.19 0.00 2.88 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 F 8.30 5.05 0.00 3.06 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 0.00 137 D 9.88 4.66 0.00 2.83 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 0.00 138 E 9.08 4.02 0.00 2.04 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 2.36 0.00 139 D 8.07 4.45 0.00 2.80 2.82 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 0.00 140 E 8.44 4.21 0.00 2.38 2.38 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 2.44 2.35 0.00 141 L 7.44 4.70 0.00 1.65 1.53 0.91 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 142 V 8.15 4.36 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 0.66 0.00 0.00 0.88 0.00 0.00 143 D 8.94 4.93 0.00 2.77 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 0.00 144 W 8.57 5.23 0.00 3.54 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 D 8.70 4.58 0.00 2.68 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 Q 8.73 4.13 0.00 1.01 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.16 6.38 0.00 0.00 0.00 0.00 0.00 2.47 2.50 0.00 147 I 7.69 3.35 1.98 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 1.53 1.00 0.99 0.00 0.00 148 D 8.20 4.48 0.00 2.68 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 0.00 149 S 8.54 4.02 0.00 3.83 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 0.00 150 S 7.57 4.09 0.00 3.71 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 0.00 151 W 8.15 4.58 0.00 3.36 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 0.00 152 L 7.62 4.09 0.00 1.10 0.46 0.75 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 153 Y 7.22 4.81 0.00 2.86 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 *154 E 8.81 4.14 0.00 1.76 1.77 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 2.12 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.