NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 66 K 4.2188 8.3144 121.7888 56.1999 33.3888 174.3939 67 I 4.3827 7.9704 124.4989 58.6415 39.7088 170.3040 68 V 3.9231 9.3220 122.7468 61.3531 33.1859 175.2370 69 K 4.7349 8.3506 122.8792 54.2767 35.0383 175.0085 70 Y 4.1685 8.0526 125.3983 57.1847 39.2340 174.3829 71 P 4.0657 0.0000 0.0000 61.7922 32.1674 174.8790 72 D 4.2461 7.9836 118.6431 55.3216 41.4872 175.8158 73 P 4.3536 0.0000 0.0000 64.9060 32.0299 178.0585 74 I 3.6132 8.2652 120.2387 64.0758 38.1199 177.4483 75 L 4.2165 7.9024 119.2176 56.5769 41.5237 178.2327 76 R 4.6706 7.7587 116.2700 56.1086 30.9332 176.6920 77 R 4.2251 7.4670 117.0349 55.6469 31.2547 176.5950 78 R 4.2832 8.3780 122.0219 55.6527 30.1571 176.3149 79 S 4.4594 8.5573 123.3300 58.4843 63.8714 174.0935 80 E 4.5476 8.8911 122.6098 54.8486 31.2749 175.6906 81 E 4.4735 8.8262 122.5617 56.9630 30.2318 177.1313 82 V 3.6889 8.9974 124.6562 62.7567 32.1392 175.7995 83 T 4.3843 8.2932 115.6294 61.4886 70.6646 173.5517 84 N 4.7724 7.8160 119.0465 51.8070 39.4935 175.5872 85 F 4.5699 8.7128 127.0037 56.0087 38.3446 175.3251 86 D 5.1008 7.3489 128.0036 53.4360 40.6656 179.1864 87 D 4.4834 8.7534 113.7223 56.7601 41.1660 177.7282 88 N 4.2660 8.2211 116.6159 56.3882 38.5156 176.6635 89 L 3.8723 7.8739 120.8491 58.3575 42.1190 179.2064 90 K 4.0017 7.7133 116.8963 59.3535 31.8518 179.4219 91 R 3.8590 8.0626 118.9522 59.3849 30.0826 178.4424 92 V 3.5438 8.1469 118.5094 66.2775 31.4655 178.1668 93 V 3.4863 8.1235 118.0789 65.8834 31.2617 177.9573 94 R 4.1189 8.1643 118.5737 59.2925 29.8772 178.2201 95 K 3.8958 8.3759 119.7562 59.9347 32.0584 178.5604 96 M 3.9533 8.1463 118.7709 58.3588 31.8144 178.7846 97 F 4.0124 8.0617 117.7824 60.5304 39.1169 177.2495 98 D 4.6303 8.5130 118.6967 57.7906 40.6930 179.1186 99 I 3.7367 8.0136 120.2058 64.4747 37.0697 178.1043 100 M 3.9462 8.2782 119.3647 58.9774 32.0989 177.8991 101 Y 4.3343 8.1042 117.1590 61.1064 37.8198 178.1759 102 E 4.0321 8.2664 119.1924 59.3317 29.8935 178.3004 103 S 4.4292 8.1440 111.7383 57.6198 63.4636 173.9852 104 K 3.8857 7.8378 120.3499 57.2468 30.0615 175.5454 105 G 3.9843 7.9635 105.7601 44.6951 0.0000 174.5174 106 I 3.9743 8.1633 119.9139 62.3624 38.4967 175.0596 107 G 4.4233 7.5113 104.5496 47.0845 0.0000 172.0872 108 L 4.7329 8.6829 120.1479 53.8566 45.9796 173.8720 109 S 5.0959 8.8502 119.2181 56.2726 65.7685 174.8386 110 A 3.9126 8.7060 125.1198 55.0799 18.4865 178.4022 111 P 4.3784 0.0000 0.0000 65.1141 31.6615 178.4590 112 Q 4.0579 8.1559 116.3649 57.7793 28.7027 177.6838 113 V 4.3279 7.5590 111.0280 60.9990 31.9660 175.2069 114 N 4.2501 8.3245 115.9963 54.4888 37.5060 173.7721 115 I 4.3183 7.4529 117.0049 59.0925 39.4452 176.1135 116 S 4.7051 8.3471 125.4221 57.6446 60.2485 172.9087 117 K 4.8101 7.4631 119.1163 54.5521 36.4739 179.1599 118 R 4.3807 8.5074 122.8107 55.3939 28.7105 174.5497 119 I 5.1582 7.5940 121.1458 59.3946 41.9783 174.3062 120 I 5.0454 8.8829 126.3865 59.6917 41.3072 174.8694 121 V 4.9853 8.4461 118.1880 59.7120 36.2713 173.9605 122 W 5.0202 8.2982 117.2584 56.4654 31.3270 174.2084 123 N 5.0531 9.1473 119.6827 51.9632 39.0635 173.6949 *135 R 4.2257 7.8485 123.2644 55.4982 31.6026 173.6976 136 I 4.7439 7.2405 117.6474 60.1525 40.7452 175.2328 137 F 4.7865 9.1733 125.0033 55.8790 42.4508 173.8327 138 I 4.8856 9.1528 124.9587 60.0131 39.8102 175.7432 139 N 4.3257 8.9532 123.2703 53.9003 36.5733 172.4848 140 P 5.2665 0.0000 0.0000 63.3740 33.2635 177.1971 141 S 4.9024 9.6856 115.8799 57.0159 67.7394 173.0068 142 I 4.7437 7.9236 122.5173 59.8443 38.6416 175.7670 143 V 4.4757 8.7267 118.8404 60.9704 33.7019 174.7866 144 E 4.8553 7.8706 118.9780 56.0891 34.1035 173.6097 145 Q 5.1329 8.8925 118.0556 54.9423 31.5075 174.6200 146 S 4.2804 8.6958 116.2537 58.5605 63.2368 174.5846 147 L 4.0521 8.5354 121.0052 57.7690 41.8100 178.3779 148 V 3.7865 7.7699 119.5469 62.9657 32.2308 175.3193 149 K 5.2715 8.6622 126.6237 54.6974 35.7397 175.1919 150 L 4.7597 8.6569 121.0668 54.4156 44.3532 174.7504 151 K 4.8503 8.5499 119.8024 55.6390 33.3315 176.2056 152 L 4.8893 8.6098 123.8758 52.6370 45.8488 175.9456 153 I 4.3080 8.4533 123.5685 61.5180 37.6517 175.2308 154 E 4.7022 9.4580 126.7194 54.4785 32.8866 175.5903 155 G 4.2962 8.3044 110.2245 43.8639 0.0000 172.0723 156 C 4.4958 7.8039 117.6390 57.2883 34.3450 174.6816 157 L 4.1031 8.6849 126.7160 57.7205 41.5758 178.1140 158 S 4.6552 8.1846 112.8302 59.1144 63.6217 173.4840 159 F 5.4220 8.4961 120.1580 54.2730 39.1474 171.4853 160 P 4.4552 0.0000 0.0000 63.8299 31.9257 177.3359 161 G 3.9765 8.9841 109.9623 45.6497 0.0000 172.8969 162 I 4.5343 7.6926 120.7348 59.5188 38.8388 174.8669 163 E 5.3305 7.7564 123.2762 53.9084 33.6648 174.7291 164 G 4.0290 8.2384 106.7001 45.4975 0.0000 172.6507 165 K 4.6673 9.2592 121.0688 56.1709 33.5778 176.5978 166 V 4.6355 8.9075 124.0576 61.0282 34.8233 173.6830 167 E 4.9592 8.8596 128.9799 55.6359 30.4468 175.3901 168 R 4.9196 9.0095 125.0816 53.4505 35.2782 172.6933 169 P 4.6298 0.0000 0.0000 63.6244 31.5796 176.3812 170 S 4.2346 9.3487 117.9110 60.7308 62.7975 173.9061 171 I 5.0131 8.0566 120.2487 59.4937 40.5269 175.3354 172 V 4.8733 8.5645 118.3051 59.6171 36.1970 174.2244 173 S 5.1683 8.8540 118.6512 56.6223 64.5430 173.0177 174 I 5.2444 8.8727 120.0779 59.2089 41.5620 174.0135 175 S 5.3055 8.7919 116.2621 57.3165 66.8768 172.2191 176 Y 5.2200 7.7305 117.4615 57.1575 41.8475 172.1190 177 Y 5.2235 9.5804 117.3282 56.2660 41.5409 176.3692 178 D 5.1453 8.8958 122.6659 52.0482 41.4159 177.0040 179 I 3.8772 8.4272 118.2599 63.9180 37.8755 176.0750 180 N 4.6426 8.5318 115.1826 53.4177 38.8908 175.6998 181 G 2.7728 8.2187 107.1326 44.6981 0.0000 173.4378 182 Y 4.1474 7.9364 118.1662 57.3831 38.5910 174.5455 183 K 4.1797 8.2805 124.9015 55.8315 33.7493 175.4292 184 H 4.7793 8.4137 122.9560 53.7842 32.8786 172.1910 185 L 5.1171 8.3490 121.1316 52.9200 43.9648 175.7485 186 K 4.7007 8.9450 123.4985 55.0471 36.3763 174.3957 187 I 4.8794 8.3444 125.5271 59.5782 39.2591 174.9137 188 L 4.9728 8.8744 127.0372 52.8697 45.0302 175.5907 189 K 4.8562 8.1067 120.0196 54.3290 37.0573 177.8487 190 G 3.6878 8.1898 108.9413 46.7847 0.0000 176.3428 191 I 3.6196 8.2442 122.7340 64.3286 36.8019 177.3398 192 H 3.5236 7.7915 116.6316 58.5399 28.5780 177.5043 193 S 4.1105 8.0286 114.9805 61.3531 62.2818 176.2163 194 R 3.8559 7.8725 121.1422 59.5749 29.8165 178.4536 195 I 3.6710 7.8056 119.6931 64.3835 37.0934 178.1525 196 F 4.1865 8.5142 121.4321 61.5469 39.2398 177.1820 197 Q 4.2142 8.4001 117.6990 59.1667 28.2883 178.2471 198 H 4.1051 8.0109 117.9987 59.4865 29.7539 176.9494 199 E 4.2075 8.5400 120.6197 59.1701 29.2574 179.0129 200 F 3.9958 8.4644 121.2088 61.4105 39.3243 176.6954 201 D 4.2172 8.1289 118.3731 57.9243 40.7542 178.4581 202 H 4.1386 7.7524 115.4857 59.2151 28.6444 177.5692 203 L 4.0820 7.8738 119.9193 56.5916 41.2021 177.9898 204 N 4.8400 7.8237 114.8919 52.3220 38.8549 175.6035 205 G 4.3118 7.6400 108.0460 45.7374 0.0000 173.3920 206 T 4.6616 7.5656 115.4936 61.5867 70.1788 174.0992 207 L 4.8984 8.6498 125.5920 52.2887 44.9686 177.7759 208 F 4.1499 8.9011 117.1364 59.9572 37.4959 177.6754 209 I 3.0781 6.7289 113.0953 63.6986 36.8611 177.7287 210 D 4.3555 7.9765 119.8974 56.0151 40.6474 177.0533 211 K 4.4670 7.3847 115.8740 55.8163 33.2959 176.1023 212 M 4.3104 7.2159 119.6075 55.0103 32.8330 176.0167 213 T 3.9351 8.1063 114.5045 61.9523 69.7127 174.7384 214 Q 3.8820 8.8518 124.2097 59.5179 28.9507 179.1598 215 V 3.5379 7.6832 118.4327 66.3460 31.7294 177.6883 216 D 4.3571 7.8631 118.5085 56.7324 40.5728 178.4998 217 K 3.7219 8.2112 120.7355 59.5540 31.9500 178.7685 218 K 3.8737 7.6115 116.8473 59.5168 32.1023 178.8863 219 K 4.0035 7.8444 118.6448 58.8018 32.3184 178.1070 220 V 4.1333 7.4180 117.1222 61.7663 32.0426 177.6733 221 R 3.8661 7.6646 120.5867 59.4588 29.9434 176.1799 222 P 4.2545 0.0000 0.0000 65.7856 31.3386 178.7602 223 K 4.1012 8.0055 116.6488 59.2264 31.9641 179.2803 224 L 4.1954 8.1980 119.5121 57.8742 41.4672 179.1432 225 N 4.3676 8.4444 116.5174 56.5359 38.5232 177.2531 226 E 3.9882 8.1762 119.5904 59.3672 29.3148 179.3852 227 L 4.0487 7.8736 117.9704 57.9803 41.8102 179.3295 228 I 3.7290 7.9336 118.8548 64.3834 37.1003 178.2262 229 R 4.0299 8.1790 118.8328 58.4292 29.9437 175.9992 230 D 4.5414 8.0182 122.4523 54.2799 41.3535 175.5462 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 4.22 0.00 1.71 1.77 0.00 1.61 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 1.49 7.81 67 I 7.97 4.38 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 1.51 0.88 0.91 0.00 0.00 68 V 9.32 3.92 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 0.72 0.00 0.00 0.90 0.00 0.00 69 K 8.35 4.73 0.00 1.60 1.63 0.00 1.69 0.00 0.00 1.73 0.00 0.00 2.77 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.33 7.81 70 Y 8.05 4.17 0.00 1.85 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 P 0.00 4.07 0.00 1.77 1.03 0.00 3.66 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 72 D 7.98 4.25 0.00 2.74 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 P 0.00 4.35 0.00 2.23 2.25 0.00 3.71 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.91 0.00 74 I 8.27 3.61 1.85 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 1.27 1.17 0.94 0.00 0.00 75 L 7.90 4.22 0.00 2.01 1.79 0.93 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 76 R 7.76 4.67 0.00 1.94 1.97 0.00 3.39 0.00 0.00 3.38 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 77 R 7.47 4.23 0.00 1.80 1.84 0.00 3.14 0.00 0.00 3.13 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.56 0.00 78 R 8.38 4.28 0.00 1.80 1.84 0.00 3.24 0.00 0.00 3.22 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 79 S 8.56 4.46 0.00 3.89 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 80 E 8.89 4.55 0.00 1.97 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 2.25 2.26 0.00 81 E 8.83 4.47 0.00 1.82 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 2.34 2.43 0.00 82 V 9.00 3.69 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.77 0.00 0.00 83 T 8.29 4.38 4.24 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 1.18 0.00 0.00 84 N 7.82 4.77 0.00 2.63 2.93 0.00 0.00 6.87 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 8.71 4.57 0.00 2.95 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 86 D 7.35 5.10 0.00 2.82 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 87 D 8.75 4.48 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 8.22 4.27 0.00 2.90 2.84 0.00 0.00 6.75 6.74 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 89 L 7.87 3.87 0.00 1.63 1.78 0.90 0.69 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 90 K 7.71 4.00 0.00 2.06 1.88 0.00 1.84 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.51 7.81 91 R 8.06 3.86 0.00 2.11 1.99 0.00 3.17 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 1.63 1.69 0.00 92 V 8.15 3.54 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 0.88 0.00 0.00 0.95 0.00 0.00 93 V 8.12 3.49 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 1.00 0.00 0.00 0.92 0.00 0.00 94 R 8.16 4.12 0.00 2.15 2.11 0.00 3.30 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 1.70 1.93 0.00 95 K 8.38 3.90 0.00 2.03 1.91 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.51 7.81 96 M 8.15 3.95 0.00 1.85 1.99 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.48 0.00 97 F 8.06 4.01 0.00 3.30 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 D 8.51 4.63 0.00 2.92 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 8.01 3.74 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 1.42 0.66 0.90 0.00 0.00 100 M 8.28 3.95 0.00 1.90 1.99 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 2.55 2.63 0.00 101 Y 8.10 4.33 0.00 3.22 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 0.00 102 E 8.27 4.03 0.00 2.11 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 103 S 8.14 4.43 0.00 3.89 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 0.00 104 K 7.84 3.89 0.00 1.94 1.90 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.42 7.81 105 G 7.96 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 0.00 106 I 8.16 3.97 1.83 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.31 0.85 0.00 0.00 107 G 7.51 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 0.00 0.00 0.00 0.00 108 L 8.68 4.73 0.00 1.69 1.33 0.90 0.88 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 0.00 109 S 8.85 5.10 0.00 3.86 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 0.00 110 A 8.71 3.91 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 P 0.00 4.38 0.00 2.16 2.10 0.00 3.72 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 2.22 2.04 0.00 112 Q 8.16 4.06 0.00 2.23 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.86 0.00 0.00 0.00 0.00 0.00 2.27 2.10 0.00 113 V 7.56 4.33 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 0.62 0.00 0.00 0.91 0.00 0.00 114 N 8.32 4.25 0.00 2.83 2.92 0.00 0.00 6.83 8.15 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 0.00 115 I 7.45 4.32 1.83 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 1.27 1.10 0.87 0.00 0.00 116 S 8.35 4.71 0.00 3.88 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 0.00 117 K 7.46 4.81 0.00 1.57 1.58 0.00 1.89 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.27 1.30 7.81 118 R 8.51 4.38 0.00 2.04 1.94 0.00 3.25 0.00 0.00 3.23 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 119 I 7.59 5.16 1.81 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.74 0.84 0.00 0.00 120 I 8.88 5.05 1.84 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.80 0.89 0.00 0.00 121 V 8.45 4.99 1.18 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 0.22 0.00 0.00 0.42 0.00 0.00 122 W 8.30 5.02 0.00 3.50 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 0.00 123 N 9.15 5.05 0.00 3.00 2.93 0.00 0.00 7.18 6.95 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 *135 R 7.85 4.23 0.00 1.64 1.34 0.00 3.07 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 136 I 7.24 4.74 1.77 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.69 0.89 0.00 0.00 137 F 9.17 4.79 0.00 2.85 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 0.00 138 I 9.15 4.89 2.42 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.75 0.99 0.00 0.00 139 N 8.95 4.33 0.00 3.12 3.03 0.00 0.00 7.02 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 P 0.00 5.27 0.00 2.49 2.48 0.00 3.92 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.15 0.00 141 S 9.69 4.90 0.00 3.75 3.80 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 0.00 0.00 0.00 142 I 7.92 4.74 1.56 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 -0.36 0.88 0.00 0.00 143 V 8.73 4.48 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 0.69 0.00 0.00 0.95 0.00 0.00 144 E 7.87 4.86 0.00 1.82 1.79 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 2.29 2.22 0.00 145 Q 8.89 5.13 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.92 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 146 S 8.70 4.28 0.00 3.88 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 0.00 147 L 8.54 4.05 0.00 1.66 1.77 0.92 0.90 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 0.00 148 V 7.77 3.79 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 1.06 0.00 0.00 0.93 0.00 0.00 149 K 8.66 5.27 0.00 1.73 1.66 0.00 1.79 0.00 0.00 1.77 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.56 7.81 150 L 8.66 4.76 0.00 1.71 1.70 0.95 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 151 K 8.55 4.85 0.00 1.66 1.78 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.70 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.46 7.81 152 L 8.61 4.89 0.00 1.56 1.49 0.90 0.45 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 0.00 153 I 8.45 4.31 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 9.46 4.70 0.00 2.01 1.60 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 2.19 2.43 0.00 155 G 8.30 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 C 7.80 4.50 0.00 2.04 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 8.68 4.10 0.00 1.65 1.74 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 158 S 8.18 4.66 0.00 4.08 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 0.00 159 F 8.50 5.42 0.00 3.06 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 0.00 160 P 0.00 4.46 0.00 2.09 2.04 0.00 3.81 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 161 G 8.98 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 0.00 162 I 7.69 4.53 2.26 0.00 0.00 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 1.37 0.80 0.86 0.00 0.00 163 E 7.76 5.33 0.00 1.82 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 2.36 2.19 0.00 164 G 8.24 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 0.00 165 K 9.26 4.67 0.00 1.73 1.73 0.00 1.69 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.46 1.43 7.81 166 V 8.91 4.64 2.34 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 0.98 0.00 0.00 1.04 0.00 0.00 167 E 8.86 4.96 0.00 2.02 1.84 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 2.26 2.34 0.00 168 R 9.01 4.92 0.00 1.77 1.98 0.00 3.25 0.00 0.00 3.28 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 169 P 0.00 4.63 0.00 2.24 2.08 0.00 3.90 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.01 0.00 170 S 9.35 4.23 0.00 3.85 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 0.00 171 I 8.06 5.01 1.86 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 1.22 0.63 0.94 0.00 0.00 172 V 8.56 4.87 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 0.73 0.00 0.00 0.87 0.00 0.00 173 S 8.85 5.17 0.00 3.83 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 0.00 174 I 8.87 5.24 1.70 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 1.21 0.69 0.43 0.00 0.00 175 S 8.79 5.31 0.00 3.71 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 0.00 176 Y 7.73 5.22 0.00 3.47 3.35 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 0.00 177 Y 9.58 5.22 0.00 3.18 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 0.00 178 D 8.90 5.15 0.00 3.04 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 3.88 1.98 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.82 1.01 0.00 0.00 180 N 8.53 4.64 0.00 3.17 2.95 0.00 0.00 7.16 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 0.00 181 G 8.22 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 Y 7.94 4.15 0.00 3.34 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 0.00 183 K 8.28 4.18 0.00 1.45 1.49 0.00 1.57 0.00 0.00 1.59 0.00 0.00 2.76 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.04 0.67 7.81 184 H 8.41 4.78 0.00 1.73 2.78 0.00 5.62 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 8.35 5.12 0.00 1.40 1.51 0.81 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 186 K 8.95 4.70 0.00 2.03 1.62 0.00 1.74 0.00 0.00 1.88 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.53 7.81 187 I 8.34 4.88 1.86 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 1.32 0.73 0.94 0.00 0.00 188 L 8.87 4.97 0.00 1.46 1.60 0.56 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 189 K 8.11 4.86 0.00 1.76 1.88 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.85 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.39 1.42 7.81 190 G 8.19 3.69 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 0.00 191 I 8.24 3.62 1.61 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.50 0.66 0.00 0.00 192 H 7.79 3.52 0.00 3.12 3.29 0.00 5.63 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 0.00 193 S 8.03 4.11 0.00 4.04 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 0.00 194 R 7.87 3.86 0.00 1.96 1.96 0.00 3.23 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 1.60 1.71 0.00 195 I 7.81 3.67 1.56 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 1.27 0.44 1.04 0.00 0.00 196 F 8.51 4.19 0.00 3.60 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 0.00 197 Q 8.40 4.21 0.00 2.40 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.50 2.67 0.00 198 H 8.01 4.11 0.00 3.16 3.49 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 199 E 8.54 4.21 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 2.43 2.55 0.00 200 F 8.46 4.00 0.00 2.68 3.16 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 0.00 0.00 0.00 0.00 201 D 8.13 4.22 0.00 2.87 2.83 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 0.00 202 H 7.75 4.14 0.00 3.40 3.31 0.00 5.61 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 7.87 4.08 0.00 1.47 1.58 0.92 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 204 N 7.82 4.84 0.00 2.54 2.72 0.00 0.00 7.05 8.19 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 0.00 205 G 7.64 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 206 T 7.57 4.66 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 207 L 8.65 4.90 0.00 1.84 1.63 1.13 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 208 F 8.90 4.15 0.00 3.16 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 0.00 209 I 6.73 3.08 1.47 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 1.08 0.56 -0.17 0.00 0.00 210 D 7.98 4.36 0.00 2.68 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 211 K 7.38 4.47 0.00 1.70 1.78 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.31 7.81 212 M 7.22 4.31 0.00 1.77 1.78 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 213 T 8.11 3.94 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 1.19 0.00 0.00 214 Q 8.85 3.88 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.94 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 215 V 7.68 3.54 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 1.00 0.00 0.00 0.92 0.00 0.00 216 D 7.86 4.36 0.00 2.62 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 0.00 217 K 8.21 3.72 0.00 1.99 1.75 0.00 1.60 0.00 0.00 1.57 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.30 1.55 7.81 218 K 7.61 3.87 0.00 1.95 1.85 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.59 7.81 219 K 7.84 4.00 0.00 1.90 1.91 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.59 7.81 220 V 7.42 4.13 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 0.69 0.00 0.00 0.93 0.00 0.00 221 R 7.66 3.87 0.00 2.09 2.07 0.00 3.18 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 1.75 0.00 222 P 0.00 4.25 0.00 2.21 2.11 0.00 3.71 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 223 K 8.01 4.10 0.00 1.98 1.91 0.00 1.69 0.00 0.00 1.85 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.57 1.55 7.81 224 L 8.20 4.20 0.00 1.92 1.91 0.83 0.52 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 0.00 225 N 8.44 4.37 0.00 2.95 2.90 0.00 0.00 7.05 7.40 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 0.00 226 E 8.18 3.99 0.00 2.22 2.03 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 2.51 2.52 0.00 227 L 7.87 4.05 0.00 1.96 1.92 0.99 0.90 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 0.00 228 I 7.93 3.73 2.05 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 1.16 0.73 0.85 0.00 0.00 229 R 8.18 4.03 0.00 1.99 2.03 0.00 3.20 0.00 0.00 3.23 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 230 D 8.02 4.54 0.00 2.68 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 * Residues marked with a * may have inaccurate shift predictions.