NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 54 G 3.9122 8.3549 109.7365 45.1016 0.0000 174.2052 55 L 4.2898 7.7449 118.6943 53.8064 41.7912 174.8398 56 G 3.8712 7.5976 108.9187 44.0221 0.0000 171.5826 57 P 4.3838 0.0000 0.0000 62.4271 31.6870 176.4226 58 L 4.1662 8.2007 120.0336 55.1679 42.3896 177.7715 59 Q 4.4661 8.3095 121.7304 54.5994 28.2153 173.3500 60 I 4.9152 7.9270 122.7770 59.0181 40.8776 174.4333 61 W 5.5247 9.0697 125.9074 55.2346 32.7417 174.7907 62 Q 5.0728 8.8718 119.8538 54.6763 31.5531 174.9230 63 T 5.2962 8.5075 119.9492 62.2749 72.4487 172.4989 64 D 4.9178 8.6738 121.7983 53.9439 45.4649 173.7564 65 F 5.3380 8.9734 119.7773 56.0397 41.8408 175.1355 66 T 4.9678 9.5311 116.2596 60.5846 71.1061 172.2032 67 L 4.1106 8.4114 129.8668 54.0210 43.5389 175.8127 68 E 4.3736 9.1326 126.7723 54.0568 31.7386 173.9454 69 P 4.1759 0.0000 0.0000 64.9330 31.9344 179.2411 70 R 3.9891 8.2996 117.3816 58.6173 30.0667 177.6965 71 M 4.3980 7.8542 116.4850 54.7675 32.0626 176.0839 72 A 4.2204 7.5191 122.3377 51.3778 18.9410 177.1877 73 P 4.3696 0.0000 0.0000 64.8891 32.2179 177.6491 74 R 4.4954 7.6364 120.3754 55.1259 28.5119 175.9564 75 S 4.4946 7.7105 112.9565 58.7001 65.3836 174.8588 76 W 4.9059 8.1606 122.2081 56.0452 30.1555 175.1071 77 L 5.1336 9.2568 126.2157 53.1157 43.5203 175.5948 78 A 4.1567 8.7520 126.4220 50.4255 20.5444 176.0350 79 V 4.7816 8.7634 122.8564 61.3063 35.0184 174.3443 80 T 5.0691 8.8567 123.9692 61.7375 71.8403 172.8468 81 V 4.5530 8.3878 126.5317 61.0516 33.9527 174.0882 82 D 4.8037 8.7891 128.8394 53.8918 41.3166 176.7470 83 T 4.0635 9.0051 117.4227 63.8178 68.7771 176.0188 84 A 4.1543 9.0893 126.4549 54.7673 18.5278 178.4561 85 S 4.5423 8.0921 106.1399 57.4741 64.0500 175.0648 86 S 3.8730 8.5653 116.0848 58.6979 61.3312 170.7544 87 A 4.3450 7.6172 122.7011 52.2232 19.4006 176.7657 88 I 4.9304 8.4043 119.5859 59.4252 40.8986 175.4419 89 V 4.4035 8.7078 125.2463 61.0714 34.4395 174.4181 90 V 5.0636 8.4433 126.5769 61.3867 34.6678 174.3259 91 T 4.8005 8.7317 115.4916 60.1993 72.5136 172.5172 92 Q 5.1364 8.5076 120.9250 54.9431 31.3618 174.6294 93 H 4.9905 9.6740 118.2487 54.3414 33.1398 174.8176 94 G 3.8172 8.9619 108.9466 47.5088 0.0000 174.1268 95 R 4.5979 7.5056 117.6053 54.6743 33.0439 174.8750 96 V 2.8284 7.5962 117.6111 60.4756 30.5630 175.7829 97 T 4.4206 7.2324 114.9109 58.9641 73.2204 174.6040 98 S 3.8942 8.1699 115.7410 61.5829 62.7538 176.9082 99 V 3.3304 7.5881 120.2551 65.8145 31.2484 177.4908 100 A 3.8419 8.2180 120.6412 55.2769 18.0834 179.5330 101 A 3.4855 7.3155 118.5441 55.2479 18.3544 179.9655 102 Q 2.8295 7.6951 116.6700 58.8407 28.6583 178.6814 103 H 4.3744 8.0090 117.4211 58.9208 28.6607 177.2134 104 H 4.0606 7.9933 120.0323 59.2151 29.6942 177.3601 105 W 4.4664 7.9056 120.4768 59.6276 28.9846 178.0544 106 A 4.2874 8.6425 121.3204 55.8978 17.7739 179.9375 107 T 3.8455 7.9747 113.3480 66.8530 68.4369 176.8712 108 A 3.8772 8.1392 122.7955 55.2794 18.1752 179.7850 109 I 4.0981 8.8127 119.8966 64.0357 36.8964 178.5092 110 A 4.0481 7.8260 120.5581 54.8402 18.2225 179.4745 111 V 3.8139 7.5445 115.6693 65.2150 31.9458 177.3821 112 L 4.6498 9.0705 116.5314 53.3714 42.5457 177.2564 113 G 4.0296 8.3170 105.4402 44.7700 0.0000 172.3520 114 R 4.0258 8.0778 119.1930 54.7057 30.5077 174.4810 115 P 4.2275 0.0000 0.0000 61.9554 32.6914 175.7865 116 K 4.2255 8.6747 117.1778 58.2500 33.3855 177.0266 117 A 5.0373 7.3555 119.1023 50.5780 23.2017 175.0985 118 I 4.9058 8.7194 119.7043 59.4301 41.3009 174.7498 119 K 5.6223 9.6643 126.2868 54.2759 34.5386 175.5880 120 T 4.9515 8.2003 113.6567 59.8677 73.0155 172.8498 121 D 5.0944 8.4149 120.3856 53.0748 41.5783 176.2770 122 N 4.8924 8.8390 119.3894 53.6414 38.9291 175.0987 123 G 4.0000 9.1242 108.8974 45.3307 0.0000 174.7744 124 S 4.4618 8.1863 116.2272 57.6411 61.9257 175.3897 *126 F 5.0601 7.7059 118.1684 58.0018 41.0980 176.6398 127 T 4.6902 7.5284 107.1079 60.9879 69.1852 174.4114 128 S 4.3943 7.6844 117.5867 58.1722 63.9298 175.3324 129 K 3.9464 8.8044 120.4400 59.7581 31.6052 179.2354 130 S 4.1800 8.1372 112.6271 62.0139 62.4450 176.3088 131 T 4.1025 7.7586 118.1670 66.8371 68.2393 177.0164 132 R 4.1150 8.2416 120.0557 59.1619 29.9652 178.7630 133 E 4.0596 8.5941 119.4043 58.7857 29.2473 178.5382 134 W 4.1169 8.7110 128.6989 60.6225 30.8502 178.0367 135 L 4.2539 8.5179 118.6167 57.6399 41.1562 179.3498 136 A 3.9722 8.2524 120.8279 55.2793 18.1791 179.6208 137 R 3.7242 7.9678 115.9602 59.0898 30.0752 178.0499 138 W 4.0777 7.5204 116.6028 56.6184 29.2801 177.1739 139 G 3.8442 7.7834 106.2996 45.7705 0.0000 172.7817 140 I 4.3715 7.4645 119.3813 59.2366 38.7468 175.6947 141 A 4.4040 8.4873 128.1062 51.7374 20.1524 175.7061 142 H 5.3658 8.6238 119.2749 54.6753 33.0628 172.6386 143 T 4.6683 8.8021 118.8124 60.3401 71.1501 173.8773 144 T 5.1692 7.8246 114.9781 60.4344 70.2123 175.4293 145 G 3.8652 7.8669 112.5463 47.4205 0.0000 175.6815 146 I 4.5015 8.0049 124.9463 58.3950 39.1338 173.8052 147 P 5.0896 0.0000 0.0000 60.7332 28.5487 175.9412 148 G 4.2080 8.8301 119.0637 46.9552 0.0000 172.8559 149 N 4.0656 8.0062 119.2302 56.6777 38.9316 174.6856 150 S 4.5367 8.1945 115.6055 57.8212 62.2349 169.3697 151 Q 4.8228 7.6718 120.7038 55.9840 30.5311 175.6927 152 G 4.0566 9.3594 107.6298 46.5227 0.0000 173.8878 153 Q 4.6918 7.7606 115.9561 54.9076 30.6464 176.7781 154 A 4.0590 8.0770 122.9645 55.5679 18.1154 180.3717 155 M 4.0452 8.0881 117.0797 58.5000 32.2013 179.1451 156 V 3.6289 8.0521 119.2976 64.8510 31.4540 178.3051 157 E 4.0517 8.1147 119.0164 58.9526 29.2943 179.1815 158 R 3.9024 7.9739 118.7354 59.0649 30.0961 178.2439 159 A 3.9537 8.2762 120.9651 55.3018 18.3075 179.0116 160 N 4.2177 8.1779 114.8239 56.6651 38.7871 177.5111 161 R 3.8619 7.7864 119.0747 59.6048 30.2544 178.4797 162 L 3.9956 8.3560 119.1386 57.5955 41.4663 179.2899 163 L 3.9240 8.3048 120.5829 58.3323 42.0466 179.2928 164 K 3.9294 8.3232 118.5499 59.3629 31.8972 178.9451 165 D 4.2843 8.0593 118.3262 57.1980 41.1819 178.1974 166 K 3.9740 8.2492 120.2452 59.3817 32.1401 178.9240 167 I 3.6824 8.0629 120.4532 64.3344 37.0040 178.2309 168 R 3.9063 8.2299 119.7969 59.6914 29.8902 178.9921 169 V 3.6330 7.9479 112.0911 64.4169 31.4140 178.6515 170 L 4.0328 8.6705 118.9295 57.5013 41.3388 179.3963 171 A 4.2055 8.5452 121.2367 55.4578 18.3450 179.6501 172 E 4.0114 8.6115 117.4441 59.3695 29.2530 179.8320 173 G 3.5374 7.8523 107.4333 48.2808 0.0000 173.9374 174 D 4.2385 7.5161 117.6635 54.3172 41.0551 177.2300 175 G 3.5865 8.0998 107.9023 45.2113 0.0000 173.5786 176 F 4.8762 7.6359 118.8337 56.1598 38.8701 175.6266 177 M 4.5148 8.6000 125.0684 55.7279 33.6041 177.2764 178 K 4.6011 7.2677 116.7978 56.2969 32.6428 178.6875 179 R 4.1552 8.6066 127.6626 57.2828 30.6445 174.2561 180 I 3.8733 8.3172 125.5335 59.2250 38.4953 174.0453 181 P 4.0243 0.0000 0.0000 63.4740 31.5279 177.5273 182 T 3.8221 8.6231 119.7795 66.7381 68.2506 177.2117 183 S 4.1941 7.9878 114.5350 60.6525 62.8243 175.6065 184 K 4.3087 7.7303 120.5964 57.3347 32.3064 178.5945 185 Q 4.0775 7.6676 118.3899 58.7455 28.6274 178.5844 186 G 3.8272 8.1462 106.2236 48.3698 0.0000 175.3064 187 E 4.0936 8.0984 120.8391 58.2673 29.6024 179.0094 188 L 3.9411 7.5885 119.6247 58.0946 42.2972 178.7630 189 L 3.9369 8.5874 120.4046 57.9764 41.9852 178.6505 190 A 4.0023 8.0621 120.7192 55.1454 18.2693 179.3926 191 K 3.9098 8.6096 118.1484 59.6586 32.2973 178.6718 192 A 4.0196 8.2182 120.9846 55.5282 18.4086 179.3331 193 M 3.9905 7.9833 116.1909 58.7253 32.2037 177.5965 194 Y 4.2470 8.3170 119.5559 60.9902 38.8035 178.0793 195 A 3.8029 8.1081 121.7604 54.2755 18.5731 178.9283 196 L 4.1765 7.7120 115.0881 56.1324 42.0439 177.9011 197 N 4.7024 7.6928 115.0772 52.8020 40.0203 174.6054 198 H 4.4709 8.5990 113.3287 55.1700 30.5612 173.8223 199 F 4.4049 8.6467 125.8347 58.0830 39.0635 175.8136 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 54 G 8.35 3.91 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 0.00 0.00 0.00 55 L 7.74 4.29 0.00 1.72 1.69 0.92 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 56 G 7.60 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 57 P 0.00 4.38 0.00 2.20 2.08 0.00 3.78 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 58 L 8.20 4.17 0.00 1.65 1.62 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 59 Q 8.31 4.47 0.00 1.94 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.85 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 60 I 7.93 4.92 1.89 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 1.30 0.68 0.92 0.00 0.00 61 W 9.07 5.52 0.00 3.18 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 62 Q 8.87 5.07 0.00 2.02 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.70 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 63 T 8.51 5.30 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 64 D 8.67 4.92 0.00 2.86 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 65 F 8.97 5.34 0.00 2.72 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 66 T 9.53 4.97 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 1.26 0.00 0.00 67 L 8.41 4.11 0.00 0.69 1.16 -0.35 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 68 E 9.13 4.37 0.00 1.97 1.80 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 2.16 2.27 0.00 69 P 0.00 4.18 0.00 2.14 2.00 0.00 3.56 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 2.01 1.95 0.00 70 R 8.30 3.99 0.00 1.97 1.96 0.00 3.10 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.64 0.00 71 M 7.85 4.40 0.00 1.95 2.16 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.58 0.00 72 A 7.52 4.22 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 73 P 0.00 4.37 0.00 2.19 2.18 0.00 3.72 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 1.96 0.00 74 R 7.64 4.50 0.00 1.82 1.95 0.00 3.20 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 75 S 7.71 4.49 0.00 3.64 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 76 W 8.16 4.91 0.00 3.64 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 77 L 9.26 5.13 0.00 1.62 1.59 0.92 0.76 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 78 A 8.75 4.16 0.24 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 79 V 8.76 4.78 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 0.94 0.00 0.00 0.95 0.00 0.00 80 T 8.86 5.07 4.06 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 0.62 0.00 0.00 81 V 8.39 4.55 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 0.95 0.00 0.00 0.90 0.00 0.00 82 D 8.79 4.80 0.00 2.65 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 83 T 9.01 4.06 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 1.31 0.00 0.00 84 A 9.09 4.15 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 85 S 8.09 4.54 0.00 3.96 3.97 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 86 S 8.57 3.87 0.00 4.03 4.04 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 87 A 7.62 4.34 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 I 8.40 4.93 1.99 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.65 0.87 0.00 0.00 89 V 8.71 4.40 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 0.89 0.00 0.00 0.73 0.00 0.00 90 V 8.44 5.06 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 0.92 0.00 0.00 0.92 0.00 0.00 91 T 8.73 4.80 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 92 Q 8.51 5.14 0.00 1.89 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.84 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 93 H 9.67 4.99 0.00 3.32 3.23 0.00 5.61 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 94 G 8.96 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 95 R 7.51 4.60 0.00 1.73 1.68 0.00 3.19 0.00 0.00 3.06 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 96 V 7.60 2.83 0.98 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 -1.58 0.00 0.00 0.01 0.00 0.00 97 T 7.23 4.42 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 1.03 0.00 0.00 98 S 8.17 3.89 0.00 3.80 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 99 V 7.59 3.33 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 0.88 0.00 0.00 0.87 0.00 0.00 100 A 8.22 3.84 1.20 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 0.00 101 A 7.32 3.49 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 Q 7.70 2.83 0.00 1.75 0.89 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 1.58 2.13 0.00 103 H 8.01 4.37 0.00 3.19 3.38 0.00 5.64 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 H 7.99 4.06 0.00 2.97 3.04 0.00 5.79 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 0.00 105 W 7.91 4.47 0.00 3.18 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 0.00 106 A 8.64 4.29 1.72 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 0.00 0.00 107 T 7.97 3.85 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 1.20 0.00 0.00 108 A 8.14 3.88 1.01 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 0.00 0.00 0.00 0.00 0.00 109 I 8.81 4.10 1.89 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 1.24 1.44 0.67 0.00 0.00 110 A 7.83 4.05 1.43 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 0.00 0.00 111 V 7.54 3.81 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 0.86 0.00 0.00 0.96 0.00 0.00 112 L 9.07 4.65 0.00 1.85 1.93 0.26 0.93 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 0.00 113 G 8.32 4.03 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 0.00 0.00 0.00 114 R 8.08 4.03 0.00 1.78 1.80 0.00 3.34 0.00 0.00 3.29 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.73 0.00 115 P 0.00 4.23 0.00 1.37 0.49 0.00 3.04 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.44 0.00 116 K 8.67 4.23 0.00 1.55 1.79 0.00 1.60 0.00 0.00 1.59 0.00 0.00 2.77 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.31 1.46 7.81 117 A 7.36 5.04 1.10 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 0.00 0.00 118 I 8.72 4.91 1.59 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.44 0.98 0.00 0.00 119 K 9.66 5.62 0.00 1.83 1.71 0.00 1.62 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.19 7.81 120 T 8.20 4.95 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 0.87 0.00 0.00 121 D 8.41 5.09 0.00 2.88 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 N 8.84 4.89 0.00 2.77 2.93 0.00 0.00 6.69 7.65 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 0.00 123 G 9.12 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 0.00 124 S 8.19 4.46 0.00 3.95 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 *126 F 7.71 5.06 0.00 3.36 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 0.00 127 T 7.53 4.69 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 1.37 0.00 0.00 128 S 7.68 4.39 0.00 4.02 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 0.00 129 K 8.80 3.95 0.00 1.82 1.96 0.00 1.73 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.57 1.48 7.81 130 S 8.14 4.18 0.00 3.93 3.91 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 0.00 131 T 7.76 4.10 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 132 R 8.24 4.11 0.00 1.97 2.07 0.00 3.21 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.92 0.00 133 E 8.59 4.06 0.00 2.21 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 2.37 2.44 0.00 134 W 8.71 4.12 0.00 3.76 3.62 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 0.00 135 L 8.52 4.25 0.00 2.06 1.89 0.78 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 136 A 8.25 3.97 1.43 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 0.00 0.00 137 R 7.97 3.72 0.00 1.77 1.93 0.00 2.67 0.00 0.00 2.88 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.41 0.00 138 W 7.52 4.08 0.00 3.15 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 G 7.78 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 0.00 140 I 7.46 4.37 1.70 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.56 0.61 0.00 0.00 141 A 8.49 4.40 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 0.00 142 H 8.62 5.37 0.00 3.02 3.14 0.00 5.70 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 0.00 143 T 8.80 4.67 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 1.23 0.00 0.00 144 T 7.82 5.17 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 1.17 0.00 0.00 145 G 7.87 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 0.00 146 I 8.00 4.50 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.81 0.91 0.00 0.00 147 P 0.00 5.09 0.00 2.18 2.10 0.00 3.74 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 148 G 8.83 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 0.00 149 N 8.01 4.07 0.00 2.83 2.91 0.00 0.00 7.11 7.07 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 0.00 150 S 8.19 4.54 0.00 4.04 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 0.00 151 Q 7.67 4.82 0.00 2.06 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.39 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 152 G 9.36 4.06 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 0.00 0.00 0.00 153 Q 7.76 4.69 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.29 0.00 154 A 8.08 4.06 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 0.00 0.00 0.00 0.00 0.00 155 M 8.09 4.05 0.00 2.08 2.28 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.60 0.00 156 V 8.05 3.63 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 0.97 0.00 0.00 0.97 0.00 0.00 157 E 8.11 4.05 0.00 2.14 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 2.37 2.35 0.00 158 R 7.97 3.90 0.00 1.91 2.04 0.00 3.10 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 159 A 8.28 3.95 1.41 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 0.00 160 N 8.18 4.22 0.00 2.96 2.92 0.00 0.00 6.73 7.16 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 0.00 161 R 7.79 3.86 0.00 2.03 2.16 0.00 3.11 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 1.63 1.68 0.00 162 L 8.36 4.00 0.00 1.67 1.70 0.91 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 163 L 8.30 3.92 0.00 1.84 1.89 0.92 0.74 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 0.00 164 K 8.32 3.93 0.00 1.82 1.93 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.54 1.64 7.81 165 D 8.06 4.28 0.00 2.95 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 0.00 166 K 8.25 3.97 0.00 2.04 1.92 0.00 1.60 0.00 0.00 1.66 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.55 7.81 167 I 8.06 3.68 2.01 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 1.42 0.49 0.92 0.00 0.00 168 R 8.23 3.91 0.00 1.92 2.10 0.00 3.10 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 1.64 1.69 0.00 169 V 7.95 3.63 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 0.77 0.00 0.00 0.94 0.00 0.00 170 L 8.67 4.03 0.00 1.68 1.76 0.97 0.87 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 0.00 171 A 8.55 4.21 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 0.00 172 E 8.61 4.01 0.00 2.11 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 2.34 2.44 0.00 173 G 7.85 3.54 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 0.00 174 D 7.52 4.24 0.00 2.41 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 0.00 0.00 0.00 175 G 8.10 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 F 7.64 4.88 0.00 3.04 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 0.00 177 M 8.60 4.51 0.00 2.02 2.13 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 2.57 2.51 0.00 178 K 7.27 4.60 0.00 1.71 0.99 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.32 7.81 179 R 8.61 4.16 0.00 1.78 1.76 0.00 3.39 0.00 0.00 3.18 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.81 0.00 180 I 8.32 3.87 1.82 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 1.22 0.64 0.52 0.00 0.00 181 P 0.00 4.02 0.00 1.76 1.85 0.00 2.20 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.90 0.00 182 T 8.62 3.82 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 183 S 7.99 4.19 0.00 4.00 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 0.00 184 K 7.73 4.31 0.00 1.70 1.86 0.00 1.99 0.00 0.00 1.79 0.00 0.00 3.04 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.36 1.45 7.81 185 Q 7.67 4.08 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.71 0.00 0.00 0.00 0.00 0.00 2.30 2.53 0.00 186 G 8.15 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 0.00 0.00 0.00 187 E 8.10 4.09 0.00 2.04 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 2.38 2.35 0.00 188 L 7.59 3.94 0.00 1.94 1.79 1.11 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 189 L 8.59 3.94 0.00 1.80 1.69 0.92 1.35 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 0.00 190 A 8.06 4.00 1.41 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 0.00 191 K 8.61 3.91 0.00 1.91 2.00 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.57 1.50 7.81 192 A 8.22 4.02 1.41 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 0.00 193 M 7.98 3.99 0.00 2.33 2.09 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 2.59 2.57 0.00 194 Y 8.32 4.25 0.00 3.09 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 0.00 195 A 8.11 3.80 1.34 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 0.00 196 L 7.71 4.18 0.00 1.63 1.69 0.97 0.97 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 0.00 197 N 7.69 4.70 0.00 2.60 2.51 0.00 0.00 6.75 8.01 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 0.00 198 H 8.60 4.47 0.00 3.16 3.10 0.00 5.63 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 0.00 199 F 8.65 4.40 0.00 2.88 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 * Residues marked with a * may have inaccurate shift predictions.