NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 54 G 3.9489 8.3549 109.7371 45.1801 0.0000 174.7681 55 L 4.3882 7.6543 116.1408 52.9960 42.9160 174.8878 56 G 3.8855 8.6765 109.3581 44.5195 0.0000 171.1673 57 P 4.3812 0.0000 0.0000 62.4448 31.8241 176.6967 58 L 4.2679 8.1912 120.8070 54.8665 42.4886 177.7376 59 Q 4.4796 8.3070 121.8394 54.5790 28.4189 173.4668 60 I 4.8960 7.9446 122.9967 59.0178 40.8627 174.4027 61 W 5.5120 9.1483 125.7318 55.2102 32.7703 174.6578 62 Q 5.1919 8.7399 119.3566 54.6620 31.6511 175.0030 63 T 5.2126 8.4621 118.5853 62.2678 72.6368 172.4718 64 D 4.8687 8.8005 122.5090 53.6725 45.5430 173.4857 65 F 5.3017 8.9567 119.5737 56.0840 41.5021 175.2735 66 T 4.9160 9.3076 116.0543 60.4795 71.3232 171.9761 67 L 4.0880 8.1838 128.2435 53.5810 43.6895 175.7482 68 E 4.3829 8.8331 126.7016 53.6526 31.3415 173.9979 69 P 4.2122 0.0000 0.0000 64.9543 31.8547 179.0152 70 R 4.0435 8.3247 116.9752 58.3552 30.0720 177.6009 71 M 4.5183 7.8465 116.4477 54.7059 32.1187 176.1306 72 A 4.2241 7.4592 122.1806 51.3240 18.9540 177.1202 73 P 4.3641 0.0000 0.0000 65.1144 31.9284 177.6436 74 R 4.4880 7.6407 119.8029 55.0615 28.5275 175.7606 75 S 4.5377 7.8328 112.5129 58.2712 65.1506 174.3093 76 W 4.7108 8.3443 122.8066 55.9131 30.5043 175.0618 77 L 5.1399 9.0275 125.2532 53.1010 43.5492 175.2938 78 A 4.1111 8.7190 126.3556 50.2956 20.7126 175.9022 79 V 4.7074 8.4411 122.8519 61.2283 34.9633 174.3352 80 T 5.0818 8.7249 123.8352 61.7146 71.8875 172.8945 81 V 4.5919 8.4440 126.3046 61.1210 34.0097 173.9046 82 D 5.0391 8.5328 128.5778 53.4532 41.4743 177.2385 83 T 4.0260 8.7350 117.1093 64.0434 69.3718 176.1172 84 A 4.1083 8.2521 125.1437 54.9826 18.3643 178.5134 85 S 4.4604 7.7522 106.4167 57.5051 63.9724 175.0851 86 S 3.8734 8.5944 114.7380 58.2294 61.8770 169.9339 87 A 4.2536 7.9969 121.4163 53.0094 19.3658 176.6594 88 I 4.8550 8.5668 120.1934 59.3913 40.2565 175.5670 89 V 4.4850 8.4173 125.2635 61.0004 34.2525 174.6516 90 V 5.1223 8.4210 126.4431 60.2595 34.6044 174.5912 91 T 4.7754 8.6690 111.5195 60.2784 72.8155 171.9471 92 Q 5.1680 8.4794 122.8533 54.8375 31.3117 174.2079 93 H 5.0018 9.4063 122.0335 54.2502 33.0822 174.7160 94 G 3.8189 8.9518 109.2039 47.6535 0.0000 174.0950 95 R 4.5046 7.5766 116.3551 54.5434 34.0925 175.3142 96 V 3.0165 7.2371 120.1574 60.0813 30.7089 175.3407 97 T 4.3748 7.0366 116.2746 59.2371 73.0429 174.6550 98 S 3.8834 8.1110 115.9660 61.5774 62.7794 177.0036 99 V 3.3583 7.5559 120.2522 65.8445 31.3029 177.7806 100 A 3.8774 8.0313 120.4810 54.9538 18.1323 179.4471 101 A 3.4744 7.5175 118.8280 55.1446 18.2454 179.9003 102 Q 2.7928 7.2562 116.5053 58.8888 28.7592 178.7359 103 H 4.2697 7.8800 117.1316 59.0712 28.7184 177.1234 104 H 4.0791 8.0251 119.8851 59.3968 29.6410 177.3905 105 W 4.4456 8.3030 120.5968 59.4233 28.7867 178.4356 106 A 4.2469 8.4739 121.3956 55.6381 17.9034 179.7928 107 T 3.8264 7.9026 113.5045 66.8129 68.4649 176.7622 108 A 3.8758 8.1646 122.7583 55.1875 18.2282 179.7576 109 I 4.0908 8.7525 119.8995 64.1343 36.9333 178.5816 110 A 4.1070 7.9137 120.5893 54.7274 18.2183 179.5762 111 V 3.7824 7.6123 116.2143 65.4707 31.9495 177.4647 112 L 4.6151 8.9015 116.4856 53.4349 42.9450 177.3334 113 G 4.0386 8.2758 105.2827 44.7918 0.0000 172.4082 114 R 3.7674 8.0965 119.3682 54.8143 30.5513 174.4267 115 P 4.3558 0.0000 0.0000 61.4588 32.8998 176.1225 116 K 4.1360 8.6508 118.4782 59.2250 32.9850 177.1230 117 A 4.9352 7.3941 118.9580 50.7092 23.1680 174.9757 118 I 4.9039 8.7181 119.5712 59.4014 41.3446 174.6459 119 K 4.8536 9.5340 129.2241 55.2769 34.2154 175.2517 120 T 5.1130 8.4591 117.3619 60.2362 72.6715 171.7196 121 D 5.2202 8.1071 120.4371 52.7342 41.7819 176.0227 122 N 4.9602 8.6808 118.2969 53.5781 39.0654 175.6700 123 G 3.9270 9.6475 109.3520 45.7141 0.0000 176.1693 124 S 4.7547 8.2155 116.4325 57.7603 62.1142 176.1396 *126 F 5.0236 8.0435 120.4293 58.3864 40.7618 176.2951 127 T 4.6450 7.6465 107.6909 61.0011 69.3246 174.6122 128 S 4.3708 7.9481 118.0136 58.0983 64.0099 175.4027 129 K 3.9210 8.7330 121.4819 59.7625 31.9630 178.4548 130 S 4.1714 8.2139 112.9359 62.1731 62.2587 176.3451 131 T 4.2004 7.8908 117.7157 66.7333 68.3319 177.1878 132 R 4.1195 8.6775 120.6073 59.1998 29.9866 178.7319 133 E 4.0654 8.9039 119.7975 58.7711 29.5232 178.5675 134 W 4.1709 8.5122 128.6720 60.5955 30.7582 178.0217 135 L 4.1568 8.4225 118.6187 57.7336 41.1429 179.3887 136 A 3.9816 8.0600 120.4503 55.0597 18.1164 179.6342 137 R 3.7364 8.1681 116.7609 58.9847 30.1551 178.1248 138 W 4.1463 7.6562 116.8557 56.3049 29.4066 176.6064 139 G 3.7726 7.8267 106.1721 46.4863 0.0000 173.0145 140 I 4.4049 7.6901 119.9563 58.8565 39.0150 176.0501 141 A 4.2959 8.3125 128.6798 52.0096 19.7998 175.6192 142 H 5.3801 8.6204 119.4291 54.6741 33.1537 172.6358 143 T 4.6372 8.5205 119.2623 60.5160 70.9151 173.8777 144 T 4.7011 8.0283 116.4727 60.0828 69.3579 176.3183 145 G 3.8768 8.1482 113.0270 44.7250 0.0000 173.1172 146 I 3.5880 8.2086 111.2820 61.1280 37.3949 173.7781 147 P 4.6578 0.0000 0.0000 62.2688 29.3696 174.7757 148 G 3.5811 9.9912 110.8876 44.4184 0.0000 173.8616 149 N 3.9627 7.6115 118.6487 52.7035 39.0527 176.3490 150 S 5.5714 9.3096 125.1570 58.4486 62.8943 176.7618 151 Q 3.4414 7.9418 121.3605 55.8278 24.4604 179.0335 152 G 4.0915 7.9724 119.1635 43.8661 0.0000 172.5604 153 Q 4.7635 7.2521 112.3947 53.5064 29.2666 176.2423 154 A 4.1528 7.9773 121.7117 55.9308 18.8878 179.2698 155 M 4.0021 8.0010 117.2851 58.6744 32.1705 179.1136 156 V 3.6479 8.2264 119.3526 64.8599 30.9028 177.9562 157 E 3.9297 7.9254 118.6967 58.8879 29.4614 178.7976 158 R 3.9172 8.1249 118.8047 59.2285 30.1583 178.2242 159 A 4.0076 8.4115 121.0605 55.1896 18.2156 179.4104 160 N 4.2606 8.2784 115.1630 56.5203 38.6396 177.6561 161 R 3.8781 7.6931 119.1480 59.2227 30.1071 178.4960 162 L 3.9654 7.8686 118.8448 57.6149 41.6312 179.1995 163 L 3.9109 7.9966 120.1308 58.3333 42.2332 179.3124 164 K 4.0419 8.2635 118.3789 59.2976 31.8084 179.2538 165 D 4.3403 8.1766 119.5333 57.2523 40.6901 178.6196 166 K 3.9747 8.2699 120.2371 59.4644 32.0490 178.9391 167 I 3.7099 7.7940 120.2858 64.1975 37.0363 178.4249 168 R 3.8611 7.8562 119.0507 59.3988 29.9998 178.6756 169 V 3.5924 8.0922 118.4007 66.0650 31.2789 177.9831 170 L 3.9949 8.2509 118.7191 57.6382 41.4107 179.3995 171 A 4.1837 8.3970 121.0364 55.4560 18.4639 179.5907 172 E 4.0158 8.4007 117.1461 59.4622 29.2226 179.9089 173 G 3.6576 8.0289 105.1482 47.0401 0.0000 174.4797 174 D 4.6385 7.3573 118.4907 53.6009 41.0570 177.2335 175 G 3.5952 7.6457 107.3875 45.2905 0.0000 174.1859 176 F 4.9245 7.4985 118.9418 55.9764 38.4612 175.5370 177 M 4.4172 8.6023 126.2246 56.9586 33.4978 177.7960 178 K 4.5466 7.3904 113.3522 56.0990 32.5194 179.3558 179 R 4.0730 8.7468 127.1319 57.3726 30.4817 174.0900 180 I 3.8077 8.1878 126.5612 59.3858 38.3773 174.1839 181 P 4.0613 0.0000 0.0000 63.1377 31.6638 177.2540 182 T 3.7977 8.8596 120.8820 67.1401 68.2020 176.6114 183 S 4.3024 7.9500 113.4057 60.2116 63.6557 175.3214 184 K 4.3664 8.0546 121.5302 56.7474 32.3263 178.3197 185 Q 4.0404 7.6411 118.3727 58.8524 28.6760 178.6576 186 G 3.7194 8.0777 106.0356 48.2338 0.0000 175.3791 187 E 4.0416 8.0901 121.0693 58.6735 29.5658 179.0691 188 L 3.9771 7.8480 120.1506 57.7803 42.1138 178.7766 189 L 3.9015 8.3040 120.5269 58.1407 42.0161 178.6775 190 A 4.0103 7.9745 120.7404 55.1587 18.2352 179.5626 191 K 3.9561 8.3535 118.0414 59.6785 32.3459 179.0079 192 A 4.0446 8.5784 121.5464 55.2750 18.3365 179.3294 193 M 3.9954 8.3127 116.9886 58.6772 32.3562 177.8126 194 Y 4.1731 8.4955 119.9150 60.8724 38.8359 178.0098 195 A 3.7143 8.0341 120.1576 55.0651 18.5172 179.2771 196 L 4.0467 7.8358 116.5591 57.0601 41.7360 178.7980 197 N 4.3269 7.5525 115.1035 54.8163 40.4799 176.2064 198 H 4.3224 7.0555 118.4159 53.3673 27.4187 175.5050 199 F 4.4252 7.0197 117.3141 57.2508 37.3859 176.2147 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 3.95 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 55 L 7.65 4.39 0.00 1.69 1.67 0.92 0.57 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 56 G 8.68 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 0.00 0.00 0.00 57 P 0.00 4.38 0.00 2.07 2.02 0.00 3.69 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 2.04 2.12 0.00 58 L 8.19 4.27 0.00 1.63 1.57 0.91 0.91 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 59 Q 8.31 4.48 0.00 1.96 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.85 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 60 I 7.94 4.90 1.90 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 1.13 0.92 0.00 0.00 61 W 9.15 5.51 0.00 3.20 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 Q 8.74 5.19 0.00 2.02 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.73 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 63 T 8.46 5.21 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 1.10 0.00 0.00 64 D 8.80 4.87 0.00 2.81 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 F 8.96 5.30 0.00 2.99 3.25 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 0.00 66 T 9.31 4.92 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 1.22 0.00 0.00 67 L 8.18 4.09 0.00 0.53 1.10 -0.16 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 68 E 8.83 4.38 0.00 1.95 1.66 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 2.14 2.24 0.00 69 P 0.00 4.21 0.00 2.15 2.01 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 2.02 1.97 0.00 70 R 8.32 4.04 0.00 1.86 1.95 0.00 3.09 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.85 0.00 71 M 7.85 4.52 0.00 1.96 2.14 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 2.52 2.57 0.00 72 A 7.46 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 4.36 0.00 2.19 2.19 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 1.97 0.00 74 R 7.64 4.49 0.00 1.82 1.96 0.00 3.20 0.00 0.00 3.27 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 75 S 7.83 4.54 0.00 3.63 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 76 W 8.34 4.71 0.00 3.62 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 L 9.03 5.14 0.00 1.63 1.58 0.90 0.63 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 78 A 8.72 4.11 0.28 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 79 V 8.44 4.71 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.93 0.00 0.00 80 T 8.72 5.08 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 0.50 0.00 0.00 81 V 8.44 4.59 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 0.89 0.00 0.00 0.89 0.00 0.00 82 D 8.53 5.04 0.00 2.73 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 T 8.74 4.03 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 1.26 0.00 0.00 84 A 8.25 4.11 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 S 7.75 4.46 0.00 3.95 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 8.59 3.87 0.00 3.97 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 87 A 8.00 4.25 1.13 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 0.00 0.00 88 I 8.57 4.85 1.78 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.91 0.84 0.00 0.00 89 V 8.42 4.49 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 0.96 0.00 0.00 0.68 0.00 0.00 90 V 8.42 5.12 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 0.80 0.00 0.00 0.94 0.00 0.00 91 T 8.67 4.78 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 92 Q 8.48 5.17 0.00 2.02 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.83 0.00 0.00 0.00 0.00 0.00 2.39 2.35 0.00 93 H 9.41 5.00 0.00 3.26 3.18 0.00 5.66 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 8.95 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 7.58 4.50 0.00 1.58 1.55 0.00 3.36 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.48 0.00 96 V 7.24 3.02 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 -0.48 0.00 0.00 -0.53 0.00 0.00 97 T 7.04 4.37 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 1.00 0.00 0.00 98 S 8.11 3.88 0.00 3.79 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 7.56 3.36 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 0.83 0.00 0.00 0.86 0.00 0.00 100 A 8.03 3.88 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 A 7.52 3.47 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 Q 7.26 2.79 0.00 1.79 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 1.23 2.07 0.00 103 H 7.88 4.27 0.00 3.33 3.35 0.00 5.63 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 H 8.03 4.08 0.00 3.02 3.09 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 0.00 105 W 8.30 4.45 0.00 3.18 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 A 8.47 4.25 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 0.00 0.00 0.00 0.00 0.00 107 T 7.90 3.83 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 108 A 8.16 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 8.75 4.09 1.93 0.00 0.00 -0.31 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 1.40 0.60 0.00 0.00 110 A 7.91 4.11 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 0.00 111 V 7.61 3.78 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.97 0.00 0.00 112 L 8.90 4.62 0.00 1.95 1.88 0.31 0.93 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 0.00 113 G 8.28 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 0.00 0.00 0.00 114 R 8.10 3.77 0.00 1.80 1.81 0.00 3.55 0.00 0.00 3.37 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 115 P 0.00 4.36 0.00 1.48 0.49 0.00 3.07 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.44 0.00 116 K 8.65 4.14 0.00 1.68 1.80 0.00 1.62 0.00 0.00 1.56 0.00 0.00 3.08 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.48 7.81 117 A 7.39 4.94 1.11 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 0.00 118 I 8.72 4.90 1.55 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.51 1.00 0.00 0.00 119 K 9.53 4.85 0.00 1.77 1.83 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.35 1.52 7.81 120 T 8.46 5.11 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 0.87 0.00 0.00 121 D 8.11 5.22 0.00 2.85 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 0.00 122 N 8.68 4.96 0.00 2.79 2.92 0.00 0.00 6.73 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 9.65 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 0.00 0.00 0.00 124 S 8.22 4.75 0.00 3.95 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 *126 F 8.04 5.02 0.00 3.40 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 0.00 127 T 7.65 4.65 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 7.95 4.37 0.00 4.06 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 0.00 129 K 8.73 3.92 0.00 1.88 1.88 0.00 1.77 0.00 0.00 1.77 0.00 0.00 2.92 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.55 1.54 7.81 130 S 8.21 4.17 0.00 3.96 3.90 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 0.00 131 T 7.89 4.20 4.42 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 1.70 0.00 0.00 132 R 8.68 4.12 0.00 1.99 2.07 0.00 3.40 0.00 0.00 3.28 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.87 0.00 133 E 8.90 4.07 0.00 2.18 2.19 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 2.37 2.44 0.00 134 W 8.51 4.17 0.00 3.76 3.57 0.00 0.00 0.00 0.00 0.00 0.00 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 8.42 4.16 0.00 1.87 1.88 0.72 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 136 A 8.06 3.98 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 0.00 137 R 8.17 3.74 0.00 1.66 1.96 0.00 2.78 0.00 0.00 2.94 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.40 0.00 138 W 7.66 4.15 0.00 3.02 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 0.00 139 G 7.83 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 I 7.69 4.40 1.69 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.58 0.54 0.00 0.00 141 A 8.31 4.30 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 5.38 0.00 2.98 3.16 0.00 5.88 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 8.52 4.64 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 144 T 8.03 4.70 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 1.22 0.00 0.00 145 G 8.15 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 0.00 146 I 8.21 3.59 1.87 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 1.33 1.03 0.91 0.00 0.00 147 P 0.00 4.66 0.00 2.07 2.07 0.00 3.66 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 148 G 9.99 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 0.00 149 N 7.61 3.96 0.00 2.98 2.61 0.00 0.00 6.82 8.44 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 0.00 150 S 9.31 5.57 0.00 4.05 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 0.00 151 Q 7.94 3.44 0.00 2.26 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.70 0.00 0.00 0.00 0.00 0.00 2.18 1.91 0.00 152 G 7.97 4.09 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 0.00 0.00 0.00 153 Q 7.25 4.76 0.00 2.33 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.87 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 154 A 7.98 4.15 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 0.00 155 M 8.00 4.00 0.00 2.07 2.37 0.00 0.00 0.00 0.00 0.00 2.10 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 8.23 3.65 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.92 0.00 0.00 157 E 7.93 3.93 0.00 2.12 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 2.32 2.33 0.00 158 R 8.12 3.92 0.00 1.93 2.00 0.00 3.16 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 8.41 4.01 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 0.00 160 N 8.28 4.26 0.00 2.89 2.88 0.00 0.00 6.60 7.44 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 0.00 161 R 7.69 3.88 0.00 1.91 2.06 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 1.67 0.00 162 L 7.87 3.97 0.00 1.96 1.69 0.91 0.50 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 8.00 3.91 0.00 1.81 1.85 0.91 0.35 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 0.00 164 K 8.26 4.04 0.00 1.91 1.83 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.69 1.45 7.81 165 D 8.18 4.34 0.00 2.84 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 0.00 166 K 8.27 3.97 0.00 1.93 1.98 0.00 1.55 0.00 0.00 1.66 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.55 7.81 167 I 7.79 3.71 1.99 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 1.41 0.65 0.91 0.00 0.00 168 R 7.86 3.86 0.00 2.07 2.13 0.00 3.10 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 169 V 8.09 3.59 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 0.98 0.00 0.00 0.96 0.00 0.00 170 L 8.25 3.99 0.00 1.76 1.74 0.96 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 171 A 8.40 4.18 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 E 8.40 4.02 0.00 2.18 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 173 G 8.03 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 0.00 174 D 7.36 4.64 0.00 2.39 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 0.00 0.00 0.00 175 G 7.65 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 0.00 176 F 7.50 4.92 0.00 3.06 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 4.42 0.00 2.02 2.15 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.51 0.00 178 K 7.39 4.55 0.00 1.71 0.77 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.33 7.81 179 R 8.75 4.07 0.00 1.78 1.77 0.00 3.38 0.00 0.00 3.18 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.76 0.00 180 I 8.19 3.81 1.84 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 1.26 0.65 0.67 0.00 0.00 181 P 0.00 4.06 0.00 1.82 1.82 0.00 2.20 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.77 0.00 182 T 8.86 3.80 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 1.18 0.00 0.00 183 S 7.95 4.30 0.00 4.00 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 0.00 184 K 8.05 4.37 0.00 1.72 1.91 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.96 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.40 1.40 7.81 185 Q 7.64 4.04 0.00 2.25 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.51 0.00 186 G 8.08 3.72 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 0.00 187 E 8.09 4.04 0.00 2.04 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 0.00 2.39 2.36 0.00 188 L 7.85 3.98 0.00 1.91 1.80 1.04 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 189 L 8.30 3.90 0.00 1.86 1.78 0.92 1.08 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 7.97 4.01 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 8.35 3.96 0.00 1.94 2.02 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.52 7.81 192 A 8.58 4.04 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 0.00 193 M 8.31 4.00 0.00 2.26 2.07 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 2.67 2.56 0.00 194 Y 8.50 4.17 0.00 3.05 3.24 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 0.00 195 A 8.03 3.71 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 0.00 196 L 7.84 4.05 0.00 1.58 1.66 0.89 0.79 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 0.00 197 N 7.55 4.33 0.00 2.53 2.43 0.00 0.00 6.97 8.02 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 0.00 198 H 7.06 4.32 0.00 2.75 3.21 0.00 5.68 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 199 F 7.02 4.43 0.00 2.90 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.