NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 N 4.6625 8.2785 119.2074 53.2296 40.3621 174.8027 17 A 3.8324 8.7507 127.9409 54.5742 18.4233 177.5358 18 Y 3.9666 8.9273 118.8524 61.0158 39.3626 176.8205 19 R 3.8601 8.6634 119.1135 59.1990 30.0845 178.8634 20 Q 3.9116 8.1725 119.3852 59.1233 28.9889 178.1036 21 S 4.0142 8.2057 114.3841 61.6424 62.4032 176.2585 22 Q 3.8175 7.9468 120.7323 58.9714 28.3834 178.9327 23 S 4.1321 8.4579 116.6830 61.6165 62.7880 176.9861 24 R 3.9572 8.4043 121.0072 59.0106 29.6965 178.7933 25 A 3.9561 8.2755 120.6870 55.2234 18.3824 179.5517 26 A 4.0373 8.0509 119.1740 55.3480 18.4528 180.1211 27 R 3.8230 8.2773 116.5880 59.3830 30.1229 179.2929 28 L 3.9662 8.1082 118.8265 57.7636 41.5212 179.6956 29 R 3.8870 8.2995 118.3654 59.1348 30.0548 178.6512 30 L 3.8203 7.8358 119.8991 58.1822 41.8875 179.1308 31 L 3.8497 7.7130 118.5387 57.7567 41.6490 179.6554 32 V 3.5399 8.0316 118.3932 66.1514 31.6635 177.8156 33 D 4.3278 8.2592 118.7879 57.8113 40.6174 179.0310 34 T 4.0321 8.0335 116.3854 66.4236 68.2201 177.2280 35 G 3.6000 8.1702 107.2131 47.8266 0.0000 175.5179 36 Q 4.1461 8.2260 120.3220 58.9242 28.7785 178.6523 37 E 4.0674 8.1135 119.2062 59.1568 29.0088 179.0921 38 L 3.9519 8.1549 119.3835 57.9820 41.3775 179.6639 39 I 3.6049 7.0858 117.5759 64.4788 37.1227 178.2157 40 Q 4.0953 7.8311 117.4516 56.8999 28.9130 176.2955 41 L 4.6761 6.6327 118.4215 52.1403 43.7553 174.6996 42 P 4.5183 0.0000 0.0000 61.5686 32.2374 175.7337 43 P 4.2469 0.0000 0.0000 65.9797 31.6423 177.7684 44 E 4.0256 8.3205 117.9566 59.2150 29.9117 179.2664 45 A 4.0325 7.6793 121.3076 52.3649 17.9766 179.6051 *47 R 4.2814 8.2187 119.6646 57.9098 32.2860 178.5007 48 K 3.9919 7.9288 117.0722 59.4283 31.8640 179.0485 49 C 4.0722 8.1669 118.9416 62.5060 31.4854 175.8546 50 V 3.5406 7.6650 119.3291 65.7812 31.1284 177.5071 51 L 3.9221 8.0024 120.0456 58.2696 41.9979 178.8982 52 Q 3.8173 8.1253 117.8960 59.1566 28.6960 179.2198 53 R 3.9630 8.1889 118.8186 58.9816 29.6979 179.0414 54 A 4.0233 8.2783 120.8371 55.3876 18.2262 179.3028 55 C 4.1192 8.1132 113.9079 63.1342 28.6539 176.0428 56 A 4.1528 8.1200 122.1397 55.1295 17.7236 179.3898 57 F 4.0674 8.3128 118.7231 60.7883 39.5572 176.2445 58 V 3.9855 7.4971 109.2976 59.7703 31.7948 173.3392 59 A 3.4160 7.6004 126.0437 52.4709 16.7312 177.6394 *61 D 4.7531 8.4794 120.0479 53.9184 41.3986 175.0533 62 H 5.1921 8.4299 116.1095 54.7620 33.7006 172.3452 63 G 4.5119 8.9647 105.6387 46.0253 0.0000 172.1689 64 L 5.3116 8.9139 120.7828 54.2028 44.9199 174.2093 65 L 5.1716 8.7536 121.1614 53.2528 44.7839 174.8127 66 L 5.3720 8.8117 125.8611 53.1570 44.7383 175.3756 67 E 4.9605 9.4387 122.0649 54.4202 33.9891 174.5303 68 W 5.4847 7.9599 119.0441 54.7696 31.2844 173.0463 69 G 3.8814 9.2398 107.8443 47.4780 0.0000 173.2076 *72 N 4.4428 7.7547 117.9335 52.0671 39.5534 178.5690 73 G 3.9552 8.3627 109.5781 44.5804 0.0000 171.9126 74 V 4.4749 8.3070 118.8988 62.3809 32.5225 176.2158 75 Q 4.7590 9.3306 125.8624 54.3882 32.4363 174.7638 76 T 4.8919 8.6747 120.4604 63.3117 68.6648 174.5948 77 T 4.5479 8.9541 117.2261 61.8539 70.2049 174.5150 78 A 4.7108 7.5644 122.4124 51.3398 22.4940 175.2998 79 R 5.2082 8.4475 117.7970 55.0164 34.8040 174.2476 80 H 4.6589 9.3831 121.2935 56.0203 33.5465 174.0679 81 G 3.9836 8.6292 112.3915 44.3642 0.0000 172.9765 82 S 4.2167 8.1830 113.5052 58.3272 64.1346 175.3635 83 K 4.0047 8.7275 125.6501 59.0880 31.6354 178.8861 84 E 3.8751 8.0892 118.6455 59.6106 29.9277 178.7675 85 R 3.9939 7.6436 116.5178 59.0826 30.1002 178.9517 86 L 4.0372 8.1491 119.1684 57.8012 41.3690 179.6708 87 S 4.2305 7.9602 113.5129 61.2486 62.8866 176.1893 88 T 4.0359 7.6889 112.2283 62.6507 69.0807 174.8233 89 L 4.2141 7.2620 122.6268 53.9339 42.3822 176.7790 90 E 4.1343 8.6456 122.7670 57.0123 30.3685 177.3038 91 T 4.6478 8.0487 110.3290 60.1049 68.4789 172.9264 92 T 4.3368 7.4532 120.6505 61.9882 70.8137 175.1392 93 A 2.5800 7.8848 128.2501 51.9706 19.2554 177.4043 94 D 4.6357 6.1860 119.2315 52.1640 41.3259 174.5181 95 P 5.2422 0.0000 0.0000 64.8741 32.2276 178.9448 96 L 4.1770 7.8454 117.2334 55.8673 42.1368 176.9811 97 A 4.0568 7.5685 122.3832 52.2357 18.6580 176.7229 98 I 4.2607 8.2685 123.4852 60.3595 39.1659 176.7749 99 G 3.9353 8.7821 112.9596 43.9864 0.0000 170.1683 100 P 5.2919 0.0000 0.0000 61.9896 33.0166 175.4364 101 Q 4.6075 8.4221 119.6123 54.5168 32.5035 172.5381 102 W 5.3214 8.9950 135.0000 55.8551 32.5692 174.8487 103 L 4.6793 8.3214 126.7780 52.8134 44.6028 175.0495 104 E 4.7949 8.5876 122.2618 54.5646 31.6985 176.7295 105 R 4.6067 8.6272 123.0817 53.2813 30.3992 172.7073 106 P 4.3491 0.0000 0.0000 63.8947 32.2628 177.4755 107 G 3.8737 8.9159 110.4853 45.5807 0.0000 173.2663 108 T 4.3920 7.2411 109.3190 60.1848 70.5012 174.5418 109 H 4.2772 8.6072 117.5101 58.2492 28.9494 175.1901 110 L 5.3371 7.6415 117.4782 50.8885 41.9798 174.8606 111 P 4.8636 0.0000 0.0000 63.9159 32.9044 176.4352 112 C 4.8793 7.7579 118.5756 57.9166 32.2785 173.2508 113 V 4.6444 7.7242 122.2838 60.9406 35.1518 173.4117 114 L 5.3128 9.1925 129.4162 53.3605 44.8900 174.6686 115 L 5.1266 9.0297 126.6572 53.1334 44.3307 175.5556 116 L 4.6305 8.9257 123.3357 52.1319 44.5694 174.4279 117 P 4.7479 0.0000 0.0000 62.5534 32.5698 176.0218 118 L 4.3605 8.4467 123.3948 53.0294 43.3837 175.9045 119 R 4.7306 8.3028 123.5748 54.5081 33.7027 174.3550 120 G 4.2701 8.7569 115.2123 45.6501 0.0000 174.6139 121 A 4.1386 9.6962 124.5663 54.4788 18.8911 177.7863 122 D 4.6009 8.1796 114.4362 53.6626 41.9496 175.5571 123 E 4.0700 8.4354 122.5974 57.3907 30.0792 178.1635 124 G 4.1756 8.7732 107.8380 45.7031 0.0000 172.9639 125 S 4.3730 8.9193 116.0187 58.0975 63.0439 174.3696 126 F 4.3010 7.7919 121.1587 55.7730 39.1888 174.7776 127 G 2.9719 6.1765 104.9602 46.4920 0.0000 172.5584 128 T 5.1162 7.8906 115.5444 61.7456 73.2030 173.4279 129 L 4.4591 9.0789 129.3843 54.5202 43.6838 175.3989 130 V 4.7658 9.0936 126.9221 61.3458 33.8969 174.0299 131 L 5.2863 8.9697 128.4507 53.3838 44.3912 175.6525 132 A 5.0818 9.0363 122.7940 50.7647 23.1877 174.6015 133 N 5.6880 9.0248 118.0354 51.7292 42.1342 175.7995 134 S 4.5519 9.2562 118.7536 59.6529 63.6247 174.6542 135 V 4.4672 7.3716 112.6371 58.7244 35.0761 175.0087 136 A 4.1237 8.6298 125.7181 52.5533 18.5821 177.1062 137 I 4.8241 8.1195 115.1870 58.7192 41.0742 175.2322 138 S 4.3178 8.4537 116.5016 57.7623 63.3453 174.4026 139 A 2.0000 7.8559 125.6173 51.1383 18.3000 176.1116 140 P 4.2655 0.0000 0.0000 62.1770 32.3141 176.7314 141 D 4.4701 8.5239 119.6789 54.7326 42.4448 178.1000 142 G 3.7323 8.7002 109.8580 48.2442 0.0000 175.3738 143 E 4.2755 8.0890 120.3170 58.1844 29.6975 178.3080 144 D 4.5547 8.0727 118.9483 57.5388 40.9257 178.3449 145 I 3.7292 7.8102 120.2055 64.5636 37.1577 178.3237 146 E 3.9789 8.5654 119.7165 59.4940 29.1645 179.7206 147 S 4.0801 8.0666 115.0617 61.6112 62.8961 176.7182 148 L 3.9264 8.1361 121.8490 57.6914 41.3408 179.3262 149 Q 3.9287 8.4376 119.9357 59.1200 28.9298 178.1771 150 L 3.9189 7.9760 121.3055 58.0012 42.0334 178.4828 151 L 3.8671 8.2302 120.4663 58.2128 41.8817 178.8486 152 A 3.9336 8.1455 120.5834 55.5042 18.2966 179.7594 153 T 3.7936 7.8801 114.1908 66.5834 68.3518 176.9629 154 L 3.9052 8.2456 121.2832 57.6209 41.6239 179.0017 155 L 3.9739 8.1405 120.3249 58.3125 41.8965 178.6785 156 A 4.1692 8.3235 120.5926 55.4340 18.2759 179.4019 157 A 3.9638 7.9627 118.9863 55.7384 18.4067 179.6633 158 H 4.2551 7.9604 114.7765 58.8921 28.7873 178.0667 159 L 4.0144 8.3954 121.2977 57.6672 41.3614 179.2034 160 E 3.5490 8.5770 119.6996 58.9803 29.5158 178.0046 161 N 4.1733 8.1450 117.1792 56.8887 38.9025 175.9612 162 N 4.1992 8.0417 118.0198 56.7710 38.9613 176.4309 163 R 3.8014 7.9619 119.8838 59.6160 30.1094 178.4461 164 L 3.9417 8.0693 118.7537 57.7393 41.6352 179.5037 165 L 3.9847 8.0750 119.0399 57.8149 41.5030 179.4160 166 E 3.9426 8.3928 118.3900 59.4297 28.8834 179.3086 167 A 3.9587 8.3677 121.1709 54.9897 18.1568 179.3774 168 L 3.9985 7.6647 118.1770 57.9434 42.4842 178.9182 169 V 3.8324 7.9800 118.2366 65.6280 31.2435 177.8615 170 A 4.0828 8.0256 119.9415 54.7047 18.2315 178.7295 171 R 4.1892 7.2954 113.9964 57.2104 30.1104 175.9839 172 D 4.2178 7.8650 122.2454 54.5206 39.4187 174.9806 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 16 N 8.28 4.66 0.00 2.76 2.80 0.00 0.00 6.96 6.91 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 17 A 8.75 3.83 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 18 Y 8.93 3.97 0.00 3.08 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 19 R 8.66 3.86 0.00 1.92 1.97 0.00 3.21 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.95 0.00 20 Q 8.17 3.91 0.00 2.24 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.79 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 21 S 8.21 4.01 0.00 3.93 3.83 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 22 Q 7.95 3.82 0.00 1.99 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 1.59 1.82 0.00 23 S 8.46 4.13 0.00 4.05 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 24 R 8.40 3.96 0.00 2.00 1.96 0.00 3.12 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 1.73 1.71 0.00 25 A 8.28 3.96 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 26 A 8.05 4.04 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 27 R 8.28 3.82 0.00 2.08 1.99 0.00 3.19 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.08 0.00 28 L 8.11 3.97 0.00 1.82 1.70 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.30 3.89 0.00 2.02 1.99 0.00 3.15 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.89 0.00 30 L 7.84 3.82 0.00 1.45 1.47 0.71 -0.53 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 31 L 7.71 3.85 0.00 1.81 1.63 0.86 0.76 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 32 V 8.03 3.54 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 1.02 0.00 0.00 0.95 0.00 0.00 33 D 8.26 4.33 0.00 2.84 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 34 T 8.03 4.03 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 1.18 0.00 0.00 35 G 8.17 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 Q 8.23 4.15 0.00 2.34 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 37 E 8.11 4.07 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 2.31 2.54 0.00 38 L 8.15 3.95 0.00 1.72 1.59 0.96 0.97 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 39 I 7.09 3.60 1.94 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.72 0.89 0.00 0.00 40 Q 7.83 4.10 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.69 0.00 0.00 0.00 0.00 0.00 2.53 2.52 0.00 41 L 6.63 4.68 0.00 1.61 1.56 0.96 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 42 P 0.00 4.52 0.00 2.17 1.95 0.00 3.61 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.09 0.00 43 P 0.00 4.25 0.00 2.03 2.13 0.00 3.68 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 44 E 8.32 4.03 0.00 2.00 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 2.38 2.32 0.00 45 A 7.68 4.03 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 *47 R 8.22 4.28 0.00 2.07 2.03 0.00 3.14 0.00 0.00 3.46 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.89 0.00 48 K 7.93 3.99 0.00 1.83 1.87 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.96 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.47 1.56 7.81 49 C 8.17 4.07 0.00 3.07 2.96 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 50 V 7.66 3.54 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 1.04 0.00 0.00 0.92 0.00 0.00 51 L 8.00 3.92 0.00 1.88 1.70 0.94 0.88 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 52 Q 8.13 3.82 0.00 2.19 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.56 0.00 53 R 8.19 3.96 0.00 1.92 1.96 0.00 3.11 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 1.66 1.80 0.00 54 A 8.28 4.02 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 55 C 8.11 4.12 0.00 2.95 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 56 A 8.12 4.15 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 57 F 8.31 4.07 0.00 3.15 3.26 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 0.00 58 V 7.50 3.99 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 1.10 0.00 0.00 59 A 7.60 3.42 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 *61 D 8.48 4.75 0.00 2.69 2.88 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 62 H 8.43 5.19 0.00 3.27 3.20 0.00 5.85 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 63 G 8.96 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 L 8.91 5.31 0.00 1.85 1.76 0.97 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 65 L 8.75 5.17 0.00 1.77 1.53 0.90 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 66 L 8.81 5.37 0.00 1.82 1.85 1.07 0.65 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 67 E 9.44 4.96 0.00 1.84 1.75 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 2.19 2.17 0.00 68 W 7.96 5.48 0.00 3.23 3.20 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 69 G 9.24 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 0.00 0.00 0.00 *72 N 7.75 4.44 0.00 2.78 2.66 0.00 0.00 6.64 7.51 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 73 G 8.36 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 0.00 0.00 0.00 74 V 8.31 4.47 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 1.05 0.00 0.00 0.98 0.00 0.00 75 Q 9.33 4.76 0.00 1.98 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.68 0.00 0.00 0.00 0.00 0.00 2.33 2.48 0.00 76 T 8.67 4.89 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 1.24 0.00 0.00 77 T 8.95 4.55 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 1.23 0.00 0.00 78 A 7.56 4.71 1.23 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 79 R 8.45 5.21 0.00 1.66 1.80 0.00 3.18 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 80 H 9.38 4.66 0.00 3.20 3.12 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 81 G 8.63 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 S 8.18 4.22 0.00 4.09 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 83 K 8.73 4.00 0.00 1.82 1.91 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.54 1.50 7.81 84 E 8.09 3.88 0.00 1.94 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 2.25 2.36 0.00 85 R 7.64 3.99 0.00 1.83 1.82 0.00 3.19 0.00 0.00 3.34 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 86 L 8.15 4.04 0.00 1.87 1.74 1.10 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 87 S 7.96 4.23 0.00 4.03 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 0.00 88 T 7.69 4.04 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 1.14 0.00 0.00 89 L 7.26 4.21 0.00 1.76 1.63 0.92 0.92 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 90 E 8.65 4.13 0.00 1.93 1.86 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 2.29 2.22 0.00 91 T 8.05 4.65 4.29 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 1.26 0.00 0.00 92 T 7.45 4.34 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 1.07 0.00 0.00 93 A 7.88 2.58 0.12 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 0.00 0.00 94 D 6.19 4.64 0.00 2.56 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 P 0.00 5.24 0.00 2.36 2.53 0.00 3.74 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.89 0.00 96 L 7.85 4.18 0.00 1.67 1.78 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 97 A 7.57 4.06 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 98 I 8.27 4.26 1.89 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 1.37 0.91 0.92 0.00 0.00 99 G 8.78 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 0.00 0.00 0.00 100 P 0.00 5.29 0.00 2.16 2.14 0.00 3.38 0.00 0.00 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.83 0.00 101 Q 8.42 4.61 0.00 2.14 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.93 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 102 W 8.99 5.32 0.00 3.41 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 0.00 103 L 8.32 4.68 0.00 1.24 1.31 0.84 0.71 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 0.00 104 E 8.59 4.79 0.00 1.80 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 105 R 8.63 4.61 0.00 1.58 1.74 0.00 3.04 0.00 0.00 3.06 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.43 0.00 106 P 0.00 4.35 0.00 2.02 1.98 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 2.02 2.08 0.00 107 G 8.92 3.87 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 0.00 0.00 0.00 108 T 7.24 4.39 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 1.27 0.00 0.00 109 H 8.61 4.28 0.00 3.24 3.36 0.00 5.75 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 L 7.64 5.34 0.00 1.67 1.46 0.89 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 111 P 0.00 4.86 0.00 2.08 2.34 0.00 4.00 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.82 0.00 112 C 7.76 4.88 0.00 2.88 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 0.00 113 V 7.72 4.64 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.80 0.00 0.00 114 L 9.19 5.31 0.00 2.21 1.67 1.23 0.72 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 0.00 115 L 9.03 5.13 0.00 1.65 1.59 0.93 0.41 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 0.00 116 L 8.93 4.63 0.00 1.52 1.56 0.96 0.96 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 0.00 117 P 0.00 4.75 0.00 1.90 2.00 0.00 3.66 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 2.19 2.15 0.00 118 L 8.45 4.36 0.00 0.82 0.40 0.77 0.42 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 0.00 119 R 8.30 4.73 0.00 1.64 1.71 0.00 3.22 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.79 0.00 120 G 8.76 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 0.00 0.00 0.00 0.00 121 A 9.70 4.14 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 0.00 122 D 8.18 4.60 0.00 2.73 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 0.00 123 E 8.44 4.07 0.00 2.03 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 2.34 2.27 0.00 124 G 8.77 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 S 8.92 4.37 0.00 3.89 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 0.00 126 F 7.79 4.30 0.00 3.01 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 0.00 127 G 6.18 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 T 7.89 5.12 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 1.31 0.00 0.00 129 L 9.08 4.46 0.00 1.70 1.64 0.97 0.59 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 0.00 130 V 9.09 4.77 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 0.98 0.00 0.00 1.03 0.00 0.00 131 L 8.97 5.29 0.00 1.71 1.62 1.01 0.63 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 0.00 132 A 9.04 5.08 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 N 9.02 5.69 0.00 2.89 2.78 0.00 0.00 7.19 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 0.00 134 S 9.26 4.55 0.00 4.05 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 0.00 135 V 7.37 4.47 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 0.76 0.00 0.00 0.96 0.00 0.00 136 A 8.63 4.12 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 I 8.12 4.82 1.95 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.11 1.02 0.00 0.00 138 S 8.45 4.32 0.00 3.82 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 0.00 139 A 7.86 2.00 -0.11 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 0.00 0.00 0.00 140 P 0.00 4.27 0.00 1.96 1.95 0.00 3.09 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 141 D 8.52 4.47 0.00 2.63 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.70 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 E 8.09 4.28 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 2.38 2.61 0.00 144 D 8.07 4.55 0.00 2.95 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 I 7.81 3.73 2.03 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.81 0.94 0.00 0.00 146 E 8.57 3.98 0.00 2.12 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.54 0.00 147 S 8.07 4.08 0.00 4.00 3.75 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 0.00 148 L 8.14 3.93 0.00 1.85 1.74 1.05 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 149 Q 8.44 3.93 0.00 2.14 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 150 L 7.98 3.92 0.00 1.78 1.76 0.90 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 151 L 8.23 3.87 0.00 1.80 1.78 0.86 0.99 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 0.00 152 A 8.15 3.93 1.37 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 0.00 153 T 7.88 3.79 4.37 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 1.19 0.00 0.00 154 L 8.25 3.91 0.00 1.82 1.74 0.90 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 155 L 8.14 3.97 0.00 1.80 1.84 0.94 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 156 A 8.32 4.17 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 0.00 157 A 7.96 3.96 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 0.00 158 H 7.96 4.26 0.00 3.29 3.34 0.00 5.63 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 L 8.40 4.01 0.00 1.84 1.77 1.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 160 E 8.58 3.55 0.00 1.84 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 2.19 2.05 0.00 161 N 8.15 4.17 0.00 2.91 2.98 0.00 0.00 6.87 6.32 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 0.00 162 N 8.04 4.20 0.00 2.80 2.95 0.00 0.00 6.93 7.81 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 0.00 163 R 7.96 3.80 0.00 1.75 1.90 0.00 3.00 0.00 0.00 2.93 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 164 L 8.07 3.94 0.00 1.80 1.65 0.87 0.81 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 0.00 165 L 8.07 3.98 0.00 1.80 1.70 0.99 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 166 E 8.39 3.94 0.00 2.23 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 2.31 2.43 0.00 167 A 8.37 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 0.00 168 L 7.66 4.00 0.00 1.78 1.80 0.91 0.98 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 0.00 169 V 7.98 3.83 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 0.95 0.00 0.00 0.97 0.00 0.00 170 A 8.03 4.08 1.37 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 0.00 171 R 7.30 4.19 0.00 1.98 2.16 0.00 3.29 0.00 0.00 3.27 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 172 D 7.87 4.22 0.00 2.76 2.55 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 0.00 * Residues marked with a * may have inaccurate shift predictions.