NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 66 K 4.1566 8.3144 121.7875 56.0680 33.3302 174.7946 67 I 3.9539 8.1968 126.3109 59.9185 38.1681 170.5866 68 V 4.1269 8.8446 123.0120 61.2304 33.6292 175.2086 69 K 4.7089 8.1721 119.3948 54.5527 36.6818 175.4350 70 Y 4.1377 7.8900 124.4964 56.7482 39.1315 175.2878 71 P 4.0826 0.0000 0.0000 60.7777 31.1029 175.5681 72 D 3.8239 7.8205 119.2149 54.7298 41.9323 174.9216 73 P 4.4672 0.0000 0.0000 63.9502 32.1553 178.0114 74 I 3.6580 8.2021 120.9287 64.2036 38.0413 177.5836 75 L 4.1834 7.8289 119.2191 56.7399 41.6381 178.5369 76 R 4.3879 7.5117 116.8854 56.4901 31.7140 176.5724 77 R 4.1945 7.5276 116.0678 56.0183 31.0024 176.3468 78 R 4.2661 8.3053 122.0670 55.3840 30.5946 176.4133 79 S 4.5368 8.3993 122.5791 59.0854 63.9237 173.4038 80 E 4.8452 8.5987 119.9979 54.1650 33.1697 175.7589 81 E 4.6059 8.6651 120.6923 56.4289 30.2725 177.4371 82 V 3.6671 8.3851 122.9972 63.0217 32.1294 176.0428 83 T 4.2900 8.0721 113.6488 60.9880 70.6619 173.4299 84 N 4.7586 7.7579 119.0589 51.5138 39.8650 174.5532 85 F 4.7263 8.7844 123.8059 55.8233 39.1617 175.5191 86 D 4.6823 7.7492 133.2572 52.0217 40.0330 178.2059 87 D 4.4914 8.8448 113.8016 56.3502 41.4084 177.7734 88 N 4.3746 8.1817 117.1272 56.0253 37.1074 176.8701 89 L 3.9116 7.7995 121.1122 57.7246 42.1647 178.9977 90 K 3.9812 7.7510 118.6885 59.3719 31.9619 179.1081 91 R 3.8451 8.5865 119.1693 59.4854 29.8043 178.2647 92 V 3.5476 7.6106 116.6662 66.4981 31.5107 178.0098 93 V 3.6350 7.6243 115.8593 65.6797 31.5484 177.7142 94 R 4.2967 8.0253 118.8716 59.1659 29.8739 178.9653 95 K 3.6679 8.0100 115.5832 57.4410 32.0856 178.5804 *97 F 4.3721 7.9392 119.3672 57.7421 40.9332 176.2496 98 D 4.7803 8.2702 120.1423 57.8727 40.7382 180.6755 99 I 3.9447 7.8882 117.6251 62.0761 36.6165 177.8478 *101 Y 4.9768 8.0187 120.2530 58.3178 39.7133 177.3538 102 E 4.0590 8.7244 119.7713 59.3410 29.7692 177.9447 103 S 4.2977 7.7938 112.6546 59.1194 63.1412 173.8350 104 K 4.1119 7.8170 118.9141 57.9267 29.1357 175.9619 105 G 4.0452 7.8883 105.3404 43.5478 0.0000 173.7588 106 I 3.2473 7.7115 120.5033 62.5243 38.3623 175.3521 107 G 4.7050 7.2699 104.8121 44.9824 0.0000 171.5274 108 L 4.5998 9.0086 119.7668 53.9488 46.0259 173.9659 109 S 5.1262 8.3747 119.5799 56.3402 65.9771 174.9441 110 A 3.9339 8.7683 124.1182 54.8991 18.5486 178.4871 111 P 4.7553 0.0000 0.0000 64.5888 31.7513 177.9622 112 Q 4.2395 7.9035 116.7458 57.1969 28.7875 177.1676 113 V 4.3401 7.7494 112.8406 61.0469 32.3896 175.7941 114 N 4.4422 8.0420 114.8071 54.4014 37.9178 173.2944 115 I 4.3453 7.0856 117.6440 59.1677 39.3523 176.2268 116 S 4.9940 8.3747 124.5296 58.4514 61.1334 173.0867 117 K 5.0275 7.5870 117.7273 54.0507 36.0239 179.0870 118 R 4.4069 8.2941 122.3142 56.1463 27.7202 175.3209 119 I 5.0852 7.5312 120.6860 59.4329 41.3981 175.6654 120 I 5.0527 8.7043 126.5365 59.7869 41.2203 174.9056 121 V 5.0948 9.1433 118.8354 60.0470 36.7334 174.0592 122 W 5.0962 8.8674 118.4189 56.7937 32.0354 172.9523 123 N 5.0681 9.4755 118.4570 53.1941 39.7028 174.0654 124 A 4.2885 9.4542 130.9093 54.4715 18.6785 177.0903 125 L 4.8084 8.0931 115.7814 53.1079 41.7252 175.7452 126 Y 4.6176 8.7945 120.1680 58.4684 38.9943 177.5028 127 E 3.8282 7.8688 120.0670 59.2669 30.2002 178.2304 128 K 4.3404 7.5090 118.8588 54.2525 30.9770 174.7678 129 R 4.4264 7.3288 121.0515 55.9444 30.1549 176.2838 130 K 4.4130 8.2498 119.6156 54.1829 34.1903 177.2586 131 E 3.8667 8.8254 120.1442 58.3537 29.4797 178.7024 132 E 3.8310 7.3154 117.2187 58.5816 26.5225 176.4243 133 N 4.8517 10.9700 117.7599 53.2148 40.1312 173.5052 134 E 4.7744 7.8230 116.9695 55.7535 31.1544 175.4229 135 R 4.3731 8.6070 123.2403 54.1975 33.0950 174.8941 136 I 4.6668 7.6206 123.4192 59.3776 40.6729 174.8516 137 F 4.7834 9.4426 125.3082 55.9123 42.2862 173.9700 138 I 4.7724 9.0240 125.2861 60.3405 39.2294 175.8949 139 N 4.3802 8.9408 122.8791 53.8798 36.6045 172.3336 140 P 5.2637 0.0000 0.0000 63.1537 33.4453 176.6910 141 S 4.8399 9.0817 113.9061 56.9887 66.4382 172.6307 142 I 4.2129 8.1622 126.3024 60.1882 37.3980 175.6823 143 V 4.1256 8.6152 121.6386 63.1119 32.7491 176.1921 144 E 4.8964 7.6936 117.5087 55.4328 33.9585 174.1405 145 Q 5.0743 8.3418 118.4732 54.3120 32.1783 174.6705 146 S 4.3957 8.7525 115.9888 58.5606 63.8571 173.7547 147 L 4.3379 8.3210 118.4042 56.1938 42.6960 178.0052 148 V 3.6727 7.7264 118.9289 63.5134 32.1297 175.2134 149 K 5.1912 8.7177 126.6957 54.4582 35.1816 175.4148 150 L 4.7849 8.8069 122.6528 53.9432 44.1491 175.9818 151 K 4.7421 8.7456 121.3993 55.9185 32.2398 175.9478 152 L 4.9061 8.2945 124.8222 52.3943 45.3885 176.6739 153 I 4.3922 8.2997 122.4553 61.8977 38.1478 175.2105 154 E 4.7017 8.8432 123.6476 55.1630 34.4704 174.2480 155 G 4.5540 8.1057 107.9782 45.0552 0.0000 171.0692 156 C 4.6095 7.9640 117.3342 57.8174 34.3200 174.6271 157 L 4.1334 8.4010 125.5270 57.3124 41.8134 178.0623 158 S 4.5873 8.0681 113.1189 59.0902 63.7022 173.5441 159 F 5.1015 7.9852 119.2878 54.1289 39.1568 171.8281 160 P 4.3400 0.0000 0.0000 64.3060 31.9818 177.6008 161 G 4.0726 8.9621 110.0215 45.6473 0.0000 173.3302 162 I 4.4979 7.6179 120.3080 60.1986 38.6890 174.8552 163 E 5.0440 7.7858 121.7516 55.0240 33.4570 174.7162 164 G 4.1067 8.2828 110.5697 45.8097 0.0000 172.3817 165 K 4.5452 9.1899 121.4807 56.2630 32.8666 177.0820 166 V 4.4433 8.5950 123.1410 61.0859 35.4451 173.5431 167 E 4.9756 8.7752 127.5797 54.9196 30.6366 175.0220 168 R 4.8288 8.4340 125.0889 53.3939 34.9570 173.0999 169 P 4.6491 0.0000 0.0000 63.3312 31.6875 176.8407 170 S 4.2725 9.2089 117.7708 60.2902 62.9136 173.9833 171 I 5.0200 7.7257 119.6254 59.4234 40.8595 175.2844 172 V 4.7397 8.5990 117.7396 59.6418 36.2376 174.3911 173 S 5.0071 9.3638 119.7411 56.8091 63.9103 173.0323 174 I 5.0359 8.6452 120.9932 58.9706 41.1990 174.4638 175 S 5.3220 8.7281 117.0684 56.9544 66.2114 172.7141 176 Y 5.2505 8.5061 120.2931 56.2164 42.2794 172.8158 177 Y 5.1434 9.4937 116.4303 56.3422 41.9159 176.6633 178 D 5.0752 8.6300 122.3154 52.2755 41.5778 176.6443 179 I 3.8589 8.4259 118.0632 63.7427 37.8494 176.2959 180 N 4.5958 8.5532 115.3364 52.9089 38.9709 175.3235 181 G 2.5749 7.8713 106.4976 44.6386 0.0000 172.6745 182 Y 4.7645 7.4970 117.5465 56.0565 39.5090 175.1181 183 K 3.8190 8.8046 125.5977 57.1023 33.2217 175.4080 184 H 4.8177 8.8695 122.3228 53.8370 33.2038 172.1624 185 L 5.2023 8.3316 120.0656 53.0441 44.2492 175.7676 186 K 4.7026 8.9099 122.9915 55.2640 36.4590 174.3478 187 I 4.8067 8.3496 125.1972 59.5998 39.3166 174.8015 188 L 4.7362 8.7073 127.6745 53.0647 43.9904 176.0942 189 K 4.7260 8.5680 121.6737 54.1310 36.3170 176.6196 190 G 3.7812 8.1319 106.9406 46.4282 0.0000 175.6962 191 I 3.6022 8.5541 118.8347 65.1833 37.1284 177.6120 192 H 4.1615 8.1135 116.1746 58.8063 28.5178 177.4736 193 S 4.0435 8.4661 115.4475 61.4465 62.2028 176.1739 194 R 3.8596 7.7120 121.2471 59.3283 29.8925 178.2631 195 I 3.3307 7.2456 119.3043 64.2016 37.0313 177.9530 196 F 3.5070 7.0693 120.8424 61.4904 39.1836 177.2846 197 Q 4.1852 7.8315 117.3190 59.0455 28.3284 178.2999 198 H 3.9902 7.9882 118.9349 59.5129 29.7460 177.3378 199 E 4.1458 7.9770 118.8274 59.0577 29.5111 178.7277 200 F 4.1582 8.3160 121.3964 61.3441 39.3659 176.8413 201 D 4.2061 7.9193 117.9809 57.6739 40.7014 178.3461 202 H 4.1120 7.6939 115.2112 58.9806 28.8716 177.5190 203 L 4.1554 7.8353 119.7393 56.3509 41.1088 178.0030 204 N 4.6597 7.8366 115.2318 52.4931 39.1015 175.5087 205 G 4.1305 7.7550 104.9798 46.2077 0.0000 173.9082 206 T 4.3932 7.5249 116.3165 62.4250 69.6846 174.1661 207 L 4.7703 8.6701 126.2275 52.7045 43.9932 177.6115 208 F 4.3743 8.7206 115.7456 58.5900 38.2714 177.4839 209 I 3.0849 7.0375 114.6583 63.4841 37.5868 177.0712 210 D 4.3825 7.8757 120.1984 56.0620 41.0217 176.8750 211 K 4.3309 7.1382 119.4621 54.4004 31.6810 175.8234 *213 T 4.0966 7.4060 111.4878 61.3256 71.8693 174.4815 214 Q 4.1482 8.2766 121.8808 57.6051 29.2596 178.1461 215 V 3.7315 7.5258 118.9135 66.6860 31.4229 177.2791 216 D 4.4086 7.7773 117.4442 56.7695 40.4249 178.8817 217 K 3.8517 7.6288 118.5851 59.0821 32.3053 178.9492 218 K 4.0407 7.6133 118.6612 59.4364 32.0121 178.8872 219 K 4.0246 7.6538 118.1854 58.3429 32.3649 177.8856 220 V 4.2835 7.1829 116.8983 61.1628 31.8643 177.2081 221 R 3.8172 7.8768 120.7228 59.4743 29.8751 176.0854 222 P 4.2287 0.0000 0.0000 66.0127 31.3972 178.4504 223 K 4.0052 8.1517 116.2291 59.5725 31.9574 179.2796 224 L 4.1761 7.7863 118.6784 57.8699 41.4935 179.2867 225 N 4.3835 8.3962 116.3586 56.4442 38.4611 177.0117 226 E 3.9566 8.5164 120.4544 59.9318 29.7152 179.8991 227 L 4.0738 8.2596 118.4854 57.7286 41.4167 179.8459 228 I 3.6547 7.6339 119.2104 64.3870 37.3568 178.0733 229 R 4.0653 8.2260 119.0695 59.7065 29.7352 178.4580 230 D 4.4120 8.3610 118.2807 58.0427 40.8498 178.7868 231 Y 3.9211 8.0488 119.3644 60.4091 38.7006 177.8496 232 K 3.4537 8.1793 119.3261 58.7447 31.8799 178.5335 233 A 4.3344 7.1706 117.3102 53.3684 18.0263 178.4652 234 T 3.7297 8.3075 117.7307 66.0770 68.6975 173.6333 235 H 4.9548 7.6357 117.8073 54.1004 31.7047 174.0835 236 S 4.1127 8.3312 113.8690 59.2990 62.2870 173.9962 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 66 K 8.31 4.16 0.00 1.71 1.77 0.00 1.63 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.50 7.81 67 I 8.20 3.95 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.03 0.91 0.00 0.00 68 V 8.84 4.13 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 0.70 0.00 0.00 0.97 0.00 0.00 69 K 8.17 4.71 0.00 1.63 1.56 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.78 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.41 7.81 70 Y 7.89 4.14 0.00 1.98 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 0.00 0.00 0.00 0.00 71 P 0.00 4.08 0.00 1.59 0.65 0.00 3.16 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 1.14 1.36 0.00 72 D 7.82 3.82 0.00 2.67 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 P 0.00 4.47 0.00 2.23 2.22 0.00 3.73 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 2.07 1.95 0.00 74 I 8.20 3.66 1.96 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 1.28 1.17 0.91 0.00 0.00 75 L 7.83 4.18 0.00 2.05 1.76 0.91 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 76 R 7.51 4.39 0.00 1.88 1.94 0.00 3.31 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.72 0.00 77 R 7.53 4.19 0.00 1.87 1.84 0.00 3.14 0.00 0.00 3.14 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 78 R 8.31 4.27 0.00 1.79 1.81 0.00 3.23 0.00 0.00 3.21 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 79 S 8.40 4.54 0.00 3.90 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 80 E 8.60 4.85 0.00 1.87 1.78 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 2.19 2.22 0.00 81 E 8.67 4.61 0.00 1.81 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 0.00 2.35 2.42 0.00 82 V 8.39 3.67 1.70 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 0.25 0.00 0.00 0.83 0.00 0.00 83 T 8.07 4.29 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 1.16 0.00 0.00 84 N 7.76 4.76 0.00 2.68 2.79 0.00 0.00 6.85 7.45 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 85 F 8.78 4.73 0.00 2.87 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 86 D 7.75 4.68 0.00 2.77 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 87 D 8.84 4.49 0.00 2.79 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 N 8.18 4.37 0.00 2.98 3.08 0.00 0.00 5.89 6.67 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 89 L 7.80 3.91 0.00 1.74 1.85 0.86 0.49 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 90 K 7.75 3.98 0.00 1.94 1.88 0.00 1.76 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.65 7.81 91 R 8.59 3.85 0.00 2.06 1.93 0.00 3.14 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 92 V 7.61 3.55 2.26 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 0.81 0.00 0.00 0.94 0.00 0.00 93 V 7.62 3.63 2.25 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 0.93 0.00 0.00 0.98 0.00 0.00 94 R 8.03 4.30 0.00 2.28 1.97 0.00 3.35 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.81 0.00 95 K 8.01 3.67 0.00 1.93 1.81 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.64 7.81 *97 F 7.94 4.37 0.00 3.22 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 98 D 8.27 4.78 0.00 2.99 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 99 I 7.89 3.94 1.84 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 1.35 1.24 0.91 0.00 0.00 *101 Y 8.02 4.98 0.00 3.30 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 0.00 102 E 8.72 4.06 0.00 2.22 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 2.39 2.36 0.00 103 S 7.79 4.30 0.00 3.90 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 0.00 104 K 7.82 4.11 0.00 2.00 2.17 0.00 1.72 0.00 0.00 1.81 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.48 1.46 7.81 105 G 7.89 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 7.71 3.25 1.38 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.45 0.66 0.00 0.00 107 G 7.27 4.70 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 0.00 0.00 0.00 108 L 9.01 4.60 0.00 1.59 1.28 0.82 0.71 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 0.00 109 S 8.37 5.13 0.00 3.86 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 0.00 110 A 8.77 3.93 1.40 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 0.00 0.00 111 P 0.00 4.76 0.00 2.16 2.08 0.00 3.75 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 2.08 2.03 0.00 112 Q 7.90 4.24 0.00 2.25 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.89 0.00 0.00 0.00 0.00 0.00 2.18 2.02 0.00 113 V 7.75 4.34 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 0.75 0.00 0.00 0.92 0.00 0.00 114 N 8.04 4.44 0.00 2.88 2.89 0.00 0.00 6.86 7.67 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 0.00 115 I 7.09 4.35 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.03 0.88 0.00 0.00 116 S 8.37 4.99 0.00 3.88 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 0.00 117 K 7.59 5.03 0.00 1.59 1.60 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.28 1.38 7.81 118 R 8.29 4.41 0.00 2.09 1.98 0.00 3.11 0.00 0.00 3.26 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 119 I 7.53 5.09 1.85 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 1.35 0.73 0.89 0.00 0.00 120 I 8.70 5.05 2.18 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.79 1.16 0.00 0.00 121 V 9.14 5.09 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 0.48 0.00 0.00 0.24 0.00 0.00 122 W 8.87 5.10 0.00 3.54 3.28 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 0.00 123 N 9.48 5.07 0.00 3.01 3.06 0.00 0.00 7.17 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 A 9.45 4.29 1.43 0.00 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0.00 149 K 8.72 5.19 0.00 1.63 1.66 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 1.41 7.81 150 L 8.81 4.78 0.00 1.67 1.70 0.91 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 151 K 8.75 4.74 0.00 1.65 1.82 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.76 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.45 7.81 152 L 8.29 4.91 0.00 1.52 1.50 0.90 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 153 I 8.30 4.39 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 1.35 0.47 0.93 0.00 0.00 154 E 8.84 4.70 0.00 2.09 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 2.12 2.24 0.00 155 G 8.11 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 C 7.96 4.61 0.00 2.07 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 0.00 157 L 8.40 4.13 0.00 1.60 1.68 0.88 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 158 S 8.07 4.59 0.00 3.95 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 F 7.99 5.10 0.00 3.11 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 0.00 160 P 0.00 4.34 0.00 2.09 2.07 0.00 3.84 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.15 0.00 161 G 8.96 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 0.00 162 I 7.62 4.50 2.24 0.00 0.00 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 1.35 0.73 0.88 0.00 0.00 163 E 7.79 5.04 0.00 1.85 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 2.40 2.35 0.00 164 G 8.28 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 0.00 0.00 0.00 165 K 9.19 4.55 0.00 1.61 1.74 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.76 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.47 1.38 7.81 166 V 8.59 4.44 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.99 0.00 0.00 167 E 8.78 4.98 0.00 1.99 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 2.20 2.31 0.00 168 R 8.43 4.83 0.00 1.69 1.92 0.00 3.19 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 169 P 0.00 4.65 0.00 1.92 2.15 0.00 3.89 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 170 S 9.21 4.27 0.00 3.83 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 I 7.73 5.02 1.85 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 0.61 0.88 0.00 0.00 172 V 8.60 4.74 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 0.64 0.00 0.00 0.77 0.00 0.00 173 S 9.36 5.01 0.00 3.81 3.81 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 0.00 174 I 8.65 5.04 1.55 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.72 -0.00 0.00 0.00 175 S 8.73 5.32 0.00 3.82 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 0.00 176 Y 8.51 5.25 0.00 3.57 3.38 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 0.00 177 Y 9.49 5.14 0.00 3.12 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 0.00 178 D 8.63 5.08 0.00 2.97 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 0.00 179 I 8.43 3.86 1.93 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.77 0.95 0.00 0.00 180 N 8.55 4.60 0.00 2.25 2.50 0.00 0.00 7.25 7.25 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 0.00 181 G 7.87 2.57 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 0.00 0.00 0.00 182 Y 7.50 4.76 0.00 3.18 2.74 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 0.00 183 K 8.80 3.82 0.00 1.51 1.48 0.00 1.40 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.08 0.70 7.81 184 H 8.87 4.82 0.00 1.69 2.85 0.00 5.61 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 0.00 185 L 8.33 5.20 0.00 1.41 1.52 0.83 0.75 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 0.00 186 K 8.91 4.70 0.00 2.10 1.70 0.00 1.94 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.53 7.81 187 I 8.35 4.81 1.87 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.04 0.89 0.00 0.00 188 L 8.71 4.74 0.00 1.43 1.55 0.62 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 189 K 8.57 4.73 0.00 1.70 1.71 0.00 1.83 0.00 0.00 1.84 0.00 0.00 2.84 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.41 1.40 7.81 190 G 8.13 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 0.00 0.00 0.00 191 I 8.55 3.60 1.74 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 1.64 1.12 0.85 0.00 0.00 192 H 8.11 4.16 0.00 3.46 3.68 0.00 5.63 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 0.00 193 S 8.47 4.04 0.00 3.95 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 0.00 194 R 7.71 3.86 0.00 1.91 1.87 0.00 3.16 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 195 I 7.25 3.33 0.56 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.25 0.47 0.00 0.00 196 F 7.07 3.51 0.00 2.84 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 0.00 197 Q 7.83 4.19 0.00 2.26 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.58 0.00 0.00 0.00 0.00 0.00 2.51 2.61 0.00 198 H 7.99 3.99 0.00 3.18 3.29 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 0.00 199 E 7.98 4.15 0.00 1.86 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 2.46 2.49 0.00 200 F 8.32 4.16 0.00 2.45 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 0.00 201 D 7.92 4.21 0.00 2.83 2.79 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 0.00 202 H 7.69 4.11 0.00 3.39 3.30 0.00 5.62 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 0.00 203 L 7.84 4.16 0.00 1.48 1.56 0.97 0.68 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 0.00 204 N 7.84 4.66 0.00 2.50 2.65 0.00 0.00 7.01 7.43 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 0.00 205 G 7.75 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 206 T 7.52 4.39 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 1.22 0.00 0.00 207 L 8.67 4.77 0.00 1.93 1.61 1.08 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 208 F 8.72 4.37 0.00 3.09 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 0.00 209 I 7.04 3.08 1.48 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.40 -0.06 0.00 0.00 210 D 7.88 4.38 0.00 2.65 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 0.00 211 K 7.14 4.33 0.00 1.62 1.70 0.00 1.72 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.29 7.81 *213 T 7.41 4.10 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 214 Q 8.28 4.15 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.97 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 215 V 7.53 3.73 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 0.99 0.00 0.00 0.91 0.00 0.00 216 D 7.78 4.41 0.00 2.68 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 0.00 217 K 7.63 3.85 0.00 1.82 1.79 0.00 1.61 0.00 0.00 1.44 0.00 0.00 2.85 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.30 1.48 7.81 218 K 7.61 4.04 0.00 1.91 1.92 0.00 1.51 0.00 0.00 1.56 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.47 7.81 219 K 7.65 4.02 0.00 1.87 1.97 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.58 7.81 220 V 7.18 4.28 2.18 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 0.61 0.00 0.00 0.90 0.00 0.00 221 R 7.88 3.82 0.00 2.02 1.97 0.00 3.14 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 222 P 0.00 4.23 0.00 2.21 2.14 0.00 3.58 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.23 0.00 223 K 8.15 4.01 0.00 2.01 1.94 0.00 1.70 0.00 0.00 1.86 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.58 1.57 7.81 224 L 7.79 4.18 0.00 1.99 1.84 0.99 0.67 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 0.00 225 N 8.40 4.38 0.00 2.97 2.90 0.00 0.00 7.02 7.11 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 0.00 226 E 8.52 3.96 0.00 2.22 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 2.49 2.59 0.00 227 L 8.26 4.07 0.00 2.18 1.87 1.05 0.82 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 0.00 228 I 7.63 3.65 2.03 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 1.35 0.61 0.90 0.00 0.00 229 R 8.23 4.07 0.00 2.03 2.01 0.00 3.33 0.00 0.00 3.19 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.86 0.00 230 D 8.36 4.41 0.00 2.87 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 231 Y 8.05 3.92 0.00 2.97 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 0.00 232 K 8.18 3.45 0.00 1.99 1.83 0.00 1.77 0.00 0.00 1.88 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.71 1.63 7.81 233 A 7.17 4.33 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 0.00 234 T 8.31 3.73 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 0.75 0.00 0.00 235 H 7.64 4.95 0.00 3.01 3.17 0.00 5.64 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 236 S 8.33 4.11 0.00 3.74 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 * Residues marked with a * may have inaccurate shift predictions.