NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4379 8.3193 115.4122 57.0419 64.3530 173.2081 3 P 4.3567 0.0000 0.0000 63.3914 32.0901 173.7866 4 T 4.6090 8.4676 118.1585 62.0919 71.2597 174.9297 5 V 4.9156 8.2846 124.9863 61.2288 33.7518 174.4934 6 L 4.8136 8.5804 126.0387 52.2699 46.6778 173.8415 7 P 4.9396 0.0000 0.0000 62.7278 31.8801 176.5429 8 A 4.4760 8.8656 125.3242 52.2193 19.4558 176.8710 9 T 4.5684 8.9464 109.4227 59.1922 71.8883 175.2279 10 Q 2.5200 8.2803 121.9219 58.8327 28.5835 178.2695 11 A 3.9567 7.7007 120.1836 54.8757 18.7023 178.4220 12 D 4.5637 7.9567 116.2192 55.7667 41.0695 178.6243 13 F 4.5280 8.0538 119.4777 60.2285 38.9434 175.3604 14 P 4.3061 0.0000 0.0000 65.7809 31.0618 178.5437 15 K 4.1467 8.0613 117.6758 59.3178 32.1529 178.6511 16 I 3.6523 7.9156 120.2562 64.4680 37.0209 178.5257 17 V 3.5009 7.9447 118.8819 66.0299 31.3815 177.5275 18 D 4.3523 8.1761 118.6681 57.5577 40.6483 179.2319 19 V 3.4778 8.0027 118.7134 65.8375 31.5478 177.9642 20 L 3.5483 7.7375 118.7733 57.6407 41.3465 179.7430 21 V 3.7340 7.8100 118.1241 66.0142 31.2842 177.6415 22 E 3.8490 7.8990 117.5222 59.2601 29.5439 178.3449 23 A 3.8529 7.7153 119.7207 54.1257 18.5928 178.1188 24 F 4.9988 7.6716 113.1225 57.1272 39.7810 177.2749 25 A 4.1337 8.0344 125.5176 54.7499 18.1784 178.6523 26 N 4.9834 8.0884 110.1219 52.9328 39.7126 173.3822 27 D 4.7401 8.2119 120.0927 52.8501 41.9828 175.2574 28 P 4.2146 0.0000 0.0000 66.2766 31.0060 178.4321 29 T 3.6757 8.3414 113.9997 66.2408 68.5613 175.6398 30 F 4.5620 8.4155 118.9706 59.4415 39.8434 177.9888 31 L 4.0883 8.1631 118.4101 58.0426 41.1404 179.6107 32 R 3.8690 7.5269 114.5984 58.8523 29.1651 177.9312 33 W 4.8488 7.7950 118.4357 58.2502 29.6940 176.4866 34 I 4.4507 7.3861 118.2336 58.8403 37.4952 173.9000 35 P 4.3056 0.0000 0.0000 63.3237 31.6718 175.7008 36 Q 4.7242 8.3266 121.0926 53.0634 31.3198 173.5932 37 P 4.5550 0.0000 0.0000 63.0183 32.3764 176.1553 38 D 4.7245 8.0794 117.2586 50.8240 41.0575 171.1503 39 P 4.2889 0.0000 0.0000 63.7372 31.9933 177.2475 40 G 3.9406 9.0623 110.4455 45.3870 0.0000 173.0340 41 S 3.8900 8.2812 113.6027 59.0812 61.3913 174.9779 42 A 4.0141 7.7128 122.2648 55.1959 18.1426 180.1019 43 K 3.9047 8.8085 117.4322 59.1956 32.1568 179.3613 44 L 3.7556 8.1164 120.7381 57.9994 41.9594 178.7551 45 R 4.0073 8.3160 118.7963 59.7248 29.9688 178.1983 46 A 4.1435 7.9968 120.2673 54.9643 18.2367 179.3400 47 L 3.7705 7.7827 118.7171 58.4284 42.2387 179.1800 48 F 4.5510 7.9148 117.6159 60.7948 38.8328 177.4457 49 E 4.0420 8.5804 118.3115 59.4075 29.2178 179.3141 50 L 3.9840 8.0445 120.2577 58.1850 42.2177 178.9432 51 Q 4.0781 8.4084 118.1393 59.1269 28.6522 178.9443 52 I 3.7830 7.9802 120.7074 64.4302 36.9085 178.2191 53 E 3.9783 8.0551 118.8317 58.5576 29.6592 178.0110 54 K 4.4781 8.1553 115.4127 56.1578 33.4560 175.8447 55 Q 4.2348 7.7046 117.5444 57.7473 31.2375 176.7374 56 Y 4.0866 8.1253 114.9786 60.4848 38.4503 178.1040 57 A 4.1185 8.2755 122.4264 55.1565 18.2085 178.6756 58 V 3.7125 7.4558 114.6883 64.3861 32.0618 176.0679 59 A 4.6985 8.5071 121.7256 51.6677 20.2102 176.4987 60 G 4.6555 7.8377 104.4718 45.4588 0.0000 172.0987 61 N 5.4235 9.5733 117.8003 51.5969 42.9958 173.8070 62 I 5.0135 8.6567 123.2714 59.8738 40.2540 173.9972 63 D 5.4142 9.1977 127.4713 52.7186 43.4935 176.1225 64 V 5.0537 8.9514 115.0939 59.5277 35.7147 174.2759 65 A 5.2894 8.7353 125.1008 50.3776 21.4277 175.9635 66 R 5.1732 8.5036 120.1517 54.3999 34.3648 175.9693 67 D 4.8999 8.6118 122.2038 52.0840 41.3987 177.1391 68 S 4.2276 8.4267 112.4802 60.8001 63.1591 174.6184 69 E 4.1749 8.2745 118.9740 56.4954 29.4591 177.1102 70 G 3.9429 8.2957 107.8144 45.2135 0.0000 173.5009 71 E 4.4579 8.0097 119.2197 54.6926 30.8842 175.6811 72 I 4.3455 8.1910 123.2220 61.7008 37.6330 176.2645 73 V 4.2947 8.1988 117.8337 60.0738 33.7143 175.3549 74 G 4.4661 7.6754 106.4691 45.4753 0.0000 172.7340 75 V 5.2108 8.7814 119.7525 59.9009 35.3328 173.7639 76 A 5.1733 9.0484 124.0031 50.1617 22.6717 174.7208 77 L 5.0843 8.5766 121.3899 52.6848 44.5070 175.6969 78 W 5.5428 9.5268 123.5860 55.1178 32.9590 174.1542 79 D 5.3953 9.5819 123.6723 53.0687 42.6602 176.3972 80 R 3.4916 8.3391 120.9844 54.1570 31.5932 174.5896 81 P 4.3008 0.0000 0.0000 64.0306 32.1290 174.7456 82 D 4.3185 8.5156 126.7589 52.9786 46.7777 174.5760 *95 P 4.4637 0.0000 0.0000 63.7869 33.7549 178.8501 96 R 4.1021 7.6010 119.0139 57.7763 30.2112 178.6932 97 L 4.2112 8.1364 121.1946 58.3901 41.7106 179.9840 98 V 3.7452 7.4852 118.1552 66.0776 31.2294 181.4806 99 S 4.4431 7.6484 113.3691 61.1419 62.7671 176.2241 100 I 3.8049 7.3896 121.2419 62.8707 37.3825 176.5202 101 F 4.7972 8.2312 115.6631 56.4150 40.5987 176.9030 102 G 3.8787 8.0065 107.8503 46.1478 0.0000 174.4051 *104 K 4.1198 7.6078 117.7499 56.0780 34.0612 174.7490 105 A 3.9281 7.3862 124.1248 50.9731 18.5952 177.1366 106 A 3.1702 8.8868 121.9633 52.8652 18.8124 177.8981 *116 A 4.0642 8.5815 126.4076 52.7793 20.4481 179.7480 117 R 3.8181 7.9417 112.2034 58.5965 29.5499 179.0479 118 F 4.6193 7.9541 112.6797 57.9617 39.6988 175.7212 119 H 3.2934 7.6893 119.0799 54.3519 28.8703 173.7680 120 P 4.2091 0.0000 0.0000 63.0077 32.1682 176.8853 121 K 4.2312 7.9469 121.4157 55.1471 31.1772 176.5462 122 F 4.9333 7.3715 115.6646 54.9576 43.6276 173.4207 123 P 4.6732 0.0000 0.0000 63.4755 31.7083 175.3675 124 H 5.0840 8.3942 116.9695 54.4565 31.8054 172.9388 125 W 4.7109 9.7962 120.3702 56.9422 30.7339 174.6717 126 Y 5.6786 9.6101 124.0571 56.0525 41.2074 174.2340 127 L 3.5985 8.5188 129.8320 54.2117 41.5724 175.7746 128 Y 3.5401 8.1169 128.5939 60.1592 39.1005 175.4530 129 T 4.5253 7.0336 112.3113 60.4355 71.1475 172.1388 130 V 4.8656 8.3357 125.7779 59.9240 34.0169 174.5111 131 A 4.6323 9.2380 126.6685 50.1371 22.4838 174.5760 132 T 4.9183 8.0589 116.8090 61.3900 71.2080 174.4482 133 S 4.2917 8.9993 122.0697 58.7833 63.9697 175.7973 134 S 4.0731 10.0794 121.1535 61.7975 62.7462 177.2138 135 S 4.0878 8.1407 112.7177 60.5377 62.5198 174.7286 136 A 4.6271 7.6461 122.1693 51.4962 19.0514 176.3088 137 R 3.8618 7.6209 118.5304 58.7752 30.4705 176.5878 138 G 3.9017 8.7280 110.7748 47.0077 0.0000 174.2338 139 T 4.3119 8.0349 113.9827 62.4830 69.9832 175.3218 140 G 3.8833 8.2008 109.9056 46.2999 0.0000 175.6791 141 V 3.6375 7.9135 120.2484 65.8796 31.5461 178.2141 142 G 3.6612 8.0425 104.9034 47.8092 0.0000 175.3663 143 S 4.1130 8.0168 114.6941 61.1154 62.5666 175.8539 144 A 4.0137 8.0724 123.4663 55.1227 18.1772 179.5902 145 L 4.0424 8.0261 117.3584 58.0198 41.7284 179.7447 146 L 4.3138 8.1496 118.7918 58.0743 41.5705 179.2538 147 N 4.3530 8.5429 116.6712 56.6390 38.4709 176.8143 148 H 4.0245 8.4633 119.6143 59.3150 29.9685 177.5705 149 G 2.7538 7.9805 107.1787 47.1857 0.0000 175.9247 150 I 3.5403 8.1239 122.3195 64.0613 36.8827 178.3292 151 A 3.8487 7.7333 120.7541 55.0591 18.2347 179.3526 152 R 3.6852 7.3044 116.0979 59.3399 30.2765 178.3893 153 A 3.3266 7.4252 120.6309 51.1352 18.2772 180.0495 154 G 3.7685 8.0387 104.0313 47.0435 0.0000 175.7636 155 D 4.4541 8.8230 127.0677 55.4511 40.9694 175.4883 156 E 4.8433 8.0424 118.9927 55.1576 31.1966 176.0938 157 A 4.2150 8.4035 122.4934 51.8607 20.3445 176.5251 158 I 5.2571 7.7941 119.5812 59.7750 41.5330 173.9070 159 Y 5.4380 9.6001 128.2458 56.1107 41.1691 174.2552 160 L 4.8589 7.6668 124.1165 54.6294 44.7019 174.0467 161 E 4.7387 8.3697 117.7268 54.4108 31.8740 175.8146 162 A 4.3918 8.9662 129.3915 51.6464 19.5690 177.8004 163 T 4.3531 8.4817 111.7540 62.2255 69.9812 175.0537 164 S 4.7554 7.5262 116.6266 56.1909 67.4995 174.6938 165 T 3.8889 8.4543 119.0423 66.5839 68.3002 176.7454 166 R 3.8089 8.0187 120.0026 59.5061 30.0413 178.2265 167 A 3.6500 7.9013 120.0932 55.0054 18.2948 179.1950 168 A 4.0254 8.1387 119.3339 55.7694 18.3776 179.9725 169 Q 3.9607 8.3034 116.4566 58.7008 28.2878 178.6395 170 L 3.8205 7.5784 121.0219 58.3993 42.1344 178.7313 171 Y 4.3367 7.6875 116.8642 61.0501 37.8645 177.7459 172 N 5.2838 8.5909 119.7875 56.5054 38.8104 177.0988 173 R 4.1249 7.9731 118.0194 58.4081 30.1533 177.8727 174 L 4.6008 7.4242 116.7493 54.5060 41.8904 177.3619 175 G 3.9832 7.9550 107.1331 44.8231 0.0000 173.9426 176 F 4.4432 8.6481 119.6811 57.3268 39.9959 175.1208 177 V 4.9348 8.8412 117.1370 58.8284 33.8262 174.1448 178 P 4.4193 0.0000 0.0000 63.4843 31.6948 175.7128 179 L 4.3977 9.4599 122.8629 55.3193 42.8930 177.2243 180 G 3.9830 7.2253 103.0375 46.3191 0.0000 169.8828 181 Y 4.8899 8.1697 117.5816 57.3375 38.9822 175.7128 182 I 3.7711 8.3720 125.2755 59.3130 38.1476 174.3906 183 P 4.3034 0.0000 0.0000 62.5399 31.8410 175.6872 184 S 4.6988 8.4293 117.0496 56.4681 64.9560 173.1605 185 D 4.6586 8.5373 124.9640 53.9762 42.7487 177.4817 186 D 3.8921 8.6869 121.8051 55.4422 38.8696 175.4254 187 D 4.8482 8.6266 115.9021 51.4516 42.0482 181.8217 188 G 3.9840 8.0698 108.1038 46.2742 0.0000 173.5412 189 T 3.7624 8.6058 118.4799 63.5044 68.9184 171.9871 190 P 4.3180 0.0000 0.0000 63.2767 32.1236 175.4934 191 E 4.5770 8.5754 120.5748 55.6209 31.7317 175.3642 192 L 4.3162 8.6841 126.1686 53.3008 42.9807 175.8853 193 A 4.5768 8.3581 128.8513 51.0004 20.3666 175.6441 *195 W 5.1961 8.3145 127.8939 57.4407 32.4804 173.7693 196 K 4.4591 8.4775 129.8315 54.1524 32.4465 174.2673 197 P 4.5646 0.0000 0.0000 61.7163 32.3654 174.2455 198 P 4.5876 0.0000 0.0000 61.7794 32.1903 178.6246 199 A 4.3110 8.3266 122.8728 50.7498 17.6058 175.7838 *201 P 4.2222 0.0000 0.0000 63.7387 32.5551 177.0859 202 T 4.0404 8.6707 119.1017 66.4416 68.6982 174.5217 203 V 4.0136 7.4452 123.6259 62.0732 31.0589 173.6438 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 2 S 8.32 4.44 0.00 3.99 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 P 0.00 4.36 0.00 2.17 2.14 0.00 3.74 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00 4 T 8.47 4.61 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 1.21 0.00 0.00 5 V 8.28 4.92 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 0.67 0.00 0.00 0.94 0.00 0.00 6 L 8.58 4.81 0.00 1.59 1.47 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 4.94 0.00 1.98 2.06 0.00 3.70 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.15 0.00 8 A 8.87 4.48 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 9 T 8.95 4.57 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 10 Q 8.28 2.52 0.00 1.82 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.15 1.69 0.00 11 A 7.70 3.96 1.24 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 12 D 7.96 4.56 0.00 2.97 2.80 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 13 F 8.05 4.53 0.00 3.07 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 14 P 0.00 4.31 0.00 2.19 2.16 0.00 3.83 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.23 0.00 15 K 8.06 4.15 0.00 1.88 1.96 0.00 1.61 0.00 0.00 1.81 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.58 7.81 16 I 7.92 3.65 2.18 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.59 0.84 0.00 0.00 17 V 7.94 3.50 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 1.19 0.00 0.00 1.00 0.00 0.00 18 D 8.18 4.35 0.00 2.92 2.70 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 19 V 8.00 3.48 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.95 0.00 0.00 20 L 7.74 3.55 0.00 1.23 0.13 0.54 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.81 3.73 2.23 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 1.04 0.00 0.00 1.11 0.00 0.00 22 E 7.90 3.85 0.00 2.04 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 2.24 2.28 0.00 23 A 7.72 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 F 7.67 5.00 0.00 3.12 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 A 8.03 4.13 1.36 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 0.00 0.00 0.00 26 N 8.09 4.98 0.00 2.70 2.82 0.00 0.00 6.83 8.06 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 27 D 8.21 4.74 0.00 3.07 3.05 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 28 P 0.00 4.21 0.00 2.16 2.07 0.00 3.72 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 29 T 8.34 3.68 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 0.70 0.00 0.00 30 F 8.42 4.56 0.00 3.16 3.15 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 31 L 8.16 4.09 0.00 1.70 1.76 1.01 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 32 R 7.53 3.87 0.00 1.47 1.80 0.00 2.21 0.00 0.00 2.69 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.50 0.00 33 W 7.79 4.85 0.00 3.58 3.50 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 34 I 7.39 4.45 1.98 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 1.24 0.73 0.97 0.00 0.00 35 P 0.00 4.31 0.00 2.08 2.07 0.00 3.86 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.25 0.00 36 Q 8.33 4.72 0.00 2.03 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.04 0.00 0.00 0.00 0.00 0.00 2.46 2.27 0.00 37 P 0.00 4.55 0.00 2.19 2.07 0.00 3.72 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 2.00 1.96 0.00 38 D 8.08 4.72 0.00 2.73 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 P 0.00 4.29 0.00 2.22 2.00 0.00 3.74 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 40 G 9.06 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 S 8.28 3.89 0.00 4.05 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 A 7.71 4.01 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 43 K 8.81 3.90 0.00 2.01 1.75 0.00 1.79 0.00 0.00 1.55 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.49 7.81 44 L 8.12 3.76 0.00 1.76 1.86 0.51 1.01 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 45 R 8.32 4.01 0.00 2.02 2.14 0.00 3.18 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 46 A 8.00 4.14 1.36 0.00 0.00 0.00 0.00 0.00 0.00 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8.02 4.11 0.00 3.90 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 0.00 144 A 8.07 4.01 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 0.00 145 L 8.03 4.04 0.00 1.95 1.87 0.98 0.58 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 0.00 146 L 8.15 4.31 0.00 1.95 1.93 1.21 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 147 N 8.54 4.35 0.00 2.82 2.89 0.00 0.00 6.70 8.79 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 0.00 148 H 8.46 4.02 0.00 3.38 3.49 0.00 5.77 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 G 7.98 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 0.00 0.00 0.00 150 I 8.12 3.54 1.92 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 1.57 1.20 0.85 0.00 0.00 151 A 7.73 3.85 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 0.00 152 R 7.30 3.69 0.00 1.42 1.38 0.00 3.31 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.48 0.00 153 A 7.43 3.33 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 G 8.04 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 0.00 155 D 8.82 4.45 0.00 2.81 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 0.00 156 E 8.04 4.84 0.00 2.27 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.37 0.00 157 A 8.40 4.21 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 I 7.79 5.26 1.83 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 1.26 0.56 1.50 0.00 0.00 159 Y 9.60 5.44 0.00 3.35 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 0.00 160 L 7.67 4.86 0.00 1.31 1.36 0.23 -1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 161 E 8.37 4.74 0.00 1.84 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 2.15 1.99 0.00 162 A 8.97 4.39 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 0.00 163 T 8.48 4.35 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 1.25 0.00 0.00 164 S 7.53 4.76 0.00 4.01 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 0.00 165 T 8.45 3.89 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 166 R 8.02 3.81 0.00 1.85 1.89 0.00 3.14 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 167 A 7.90 3.65 1.25 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 0.00 0.00 168 A 8.14 4.03 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 0.00 169 Q 8.30 3.96 0.00 2.24 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 170 L 7.58 3.82 0.00 1.56 1.41 0.85 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 171 Y 7.69 4.34 0.00 3.02 2.42 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 0.00 172 N 8.59 5.28 0.00 2.97 3.03 0.00 0.00 6.83 7.33 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 0.00 173 R 7.97 4.12 0.00 2.03 2.01 0.00 3.21 0.00 0.00 3.23 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.86 0.00 174 L 7.42 4.60 0.00 2.14 1.92 1.10 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 175 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 0.00 176 F 8.65 4.44 0.00 3.18 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 0.00 177 V 8.84 4.93 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 1.19 0.00 0.00 178 P 0.00 4.42 0.00 2.05 2.02 0.00 3.81 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 2.02 0.00 179 L 9.46 4.40 0.00 1.73 1.80 1.18 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 180 G 7.23 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 0.00 181 Y 8.17 4.89 0.00 2.89 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 0.00 182 I 8.37 3.77 1.65 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 0.26 0.24 0.20 0.00 0.00 183 P 0.00 4.30 0.00 2.08 2.01 0.00 3.33 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.12 0.00 184 S 8.43 4.70 0.00 3.87 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 0.00 185 D 8.54 4.66 0.00 2.77 2.53 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 0.00 186 D 8.69 3.89 0.00 2.85 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 0.00 187 D 8.63 4.85 0.00 2.53 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 G 8.07 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 0.00 189 T 8.61 3.76 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 190 P 0.00 4.32 0.00 2.01 2.15 0.00 3.57 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 1.88 2.07 0.00 191 E 8.58 4.58 0.00 1.90 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 2.29 0.00 192 L 8.68 4.32 0.00 1.26 1.39 0.17 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 193 A 8.36 4.58 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 *195 W 8.31 5.20 0.00 3.51 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 0.00 196 K 8.48 4.46 0.00 0.79 0.75 0.00 1.06 0.00 0.00 1.27 0.00 0.00 2.84 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.95 0.93 7.81 197 P 0.00 4.56 0.00 2.15 2.23 0.00 3.71 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 1.96 2.02 0.00 198 P 0.00 4.59 0.00 2.13 2.13 0.00 3.94 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 199 A 8.33 4.31 1.21 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 *201 P 0.00 4.22 0.00 2.22 2.12 0.00 3.79 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 1.89 2.00 0.00 202 T 8.67 4.04 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 203 V 7.45 4.01 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 0.63 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.