NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.9281 8.1648 122.9783 52.0169 19.9383 175.9646 *2 I 4.0529 7.9767 119.3360 61.4767 38.1939 176.0257 3 V 3.9684 8.9192 125.8665 65.1694 32.3793 176.0264 4 G 4.7379 7.5260 104.2163 46.1868 0.0000 172.0689 5 L 5.2843 8.4493 122.1452 53.1607 45.1773 175.7271 6 G 4.3141 9.1565 112.0803 45.0178 0.0000 171.1520 7 T 5.2298 8.2540 115.2340 60.7304 70.9341 172.2507 8 D 4.7647 8.8643 124.1251 53.1676 45.2218 173.6885 9 I 5.0422 8.4829 124.1427 59.1732 41.0323 174.2008 10 A 4.8915 9.2868 129.9479 50.0810 22.6070 174.7452 11 E 4.5194 8.8195 122.8327 55.3252 30.5262 177.2897 12 I 3.7401 8.5915 128.6785 64.5574 37.1875 178.3888 13 E 4.1224 8.0226 118.7706 59.0219 29.3940 179.1867 14 R 3.8304 7.7172 119.3005 59.2240 30.1218 178.7356 15 V 3.6001 7.6082 117.6680 65.8913 31.6784 177.6749 16 E 4.0217 8.3412 118.4288 59.4106 29.1894 179.3982 17 K 3.8936 8.1317 118.2008 59.4816 32.0753 179.2191 18 A 3.7519 7.7273 120.4930 55.0519 18.1818 179.7181 19 L 4.1518 8.1593 117.3148 57.9466 41.4977 179.6270 20 A 4.0710 8.0527 119.7427 54.4757 18.2853 179.3245 21 R 4.2273 7.5522 115.6880 58.2692 31.0439 178.2265 22 S 4.7185 8.5306 112.7840 55.7024 64.8108 176.4828 23 G 4.0362 8.8100 110.5925 46.0444 0.0000 175.1731 24 E 4.0266 9.2494 123.6005 59.3941 28.8861 177.7028 25 N 4.2438 7.7843 115.5493 56.3373 38.9338 177.0239 26 F 4.5095 8.2028 121.0856 61.3749 39.7176 176.9296 27 A 3.3806 8.0653 120.4559 55.1821 17.8709 179.6208 28 R 3.9203 8.4513 115.1337 58.5291 30.2174 178.9746 29 R 4.0855 7.6310 117.7315 58.7667 30.1303 178.2656 30 I 3.5876 7.2609 118.0842 61.7614 37.9915 175.9868 31 L 4.8628 7.1817 118.5920 52.9289 43.6684 177.1537 32 T 4.0011 8.6543 113.2438 61.3432 70.6888 175.4556 33 D 4.3660 8.5065 121.8148 57.7944 40.7357 178.9311 34 S 4.2505 7.9656 113.0116 61.4683 62.5276 175.9420 35 E 4.2087 8.2316 120.9969 59.1782 29.1529 179.2310 36 L 4.0106 7.9533 119.3055 57.5436 41.3284 179.2515 37 E 3.9890 7.6175 116.7238 59.5470 29.8270 179.1108 38 Q 4.1405 8.0533 117.4122 58.8882 28.9185 178.2537 39 F 2.6388 7.9087 121.5651 61.4014 39.1093 176.9799 40 H 3.9858 8.4271 114.2258 58.3488 28.5129 177.0510 41 A 4.1185 7.4182 120.8259 52.7128 18.8940 177.7991 42 S 4.1393 6.8252 112.0027 58.3485 62.9086 173.9128 43 K 4.4216 8.4276 123.6422 56.4397 33.0746 177.0311 44 Q 4.6011 8.1981 118.0417 53.9052 29.4594 175.9545 45 Q 4.0464 7.9330 120.0945 58.6423 29.1951 178.7556 46 G 3.7409 8.1392 106.4304 48.0665 0.0000 175.8266 47 R 3.9923 8.0401 120.5335 58.6394 30.2616 178.7145 48 F 4.0945 8.5395 120.5587 61.4275 39.4726 177.0465 49 L 4.1742 8.8058 120.0699 58.0009 41.8536 178.5325 50 A 4.1094 8.4000 121.0406 55.2154 18.2254 179.8330 51 K 3.9679 8.0332 116.4716 59.6683 32.1262 179.8755 52 R 3.8626 7.8604 118.0585 59.0244 29.9363 178.8004 53 F 3.9543 8.8653 120.5725 61.2890 39.3609 177.0186 54 A 4.5216 8.6949 121.4853 54.6817 18.1309 179.3695 55 A 3.8758 8.1942 119.3802 55.2913 18.3585 180.1239 56 K 3.5253 8.1223 116.8954 59.3839 32.1778 179.4142 57 E 3.5985 8.0573 118.6545 59.2929 29.3840 179.3147 58 A 3.8716 8.0503 120.5291 55.0727 18.4884 179.5118 59 A 3.8268 7.8816 119.6760 55.2202 18.2758 180.0576 60 S 4.0793 7.5796 112.8823 61.3504 63.1251 176.9628 61 K 3.9350 7.9543 122.0377 59.1572 31.7206 179.1663 62 A 4.1539 8.0587 121.1066 55.0069 18.0209 179.4162 63 L 3.9806 7.7202 118.1906 56.4264 42.2300 178.0010 64 G 4.0087 7.9911 105.8184 45.2351 0.0000 173.6303 65 T 4.2179 7.6345 108.8516 60.3457 70.6630 175.9127 66 G 3.9212 7.7890 110.5544 45.5983 0.0000 173.4033 67 I 3.8490 7.7781 119.4405 59.9306 35.8886 174.7096 68 A 4.1682 8.3691 126.4519 52.3328 22.4798 175.8461 69 Q 3.5312 9.7984 115.0097 57.1848 26.0732 175.7006 70 G 3.9137 8.5013 105.8150 45.2323 0.0000 174.3918 71 V 4.0665 7.7075 121.2057 62.1230 32.4009 174.9805 72 T 4.7122 8.5050 116.0248 59.2163 71.8495 174.8197 73 F 4.2563 8.6481 119.7299 61.1002 38.9371 177.4113 74 H 4.5611 7.8551 115.2271 57.8608 28.2257 175.7615 75 D 4.4813 8.0423 118.4868 53.9679 40.9024 175.3822 76 F 5.2781 7.8234 118.4502 55.8348 42.0110 174.6564 77 T 4.8492 9.0235 119.9421 61.8292 71.7267 172.8564 78 I 4.9193 8.9242 127.7173 59.9986 39.0513 175.1979 79 S 4.8975 8.9021 121.2130 57.2467 66.7247 172.1582 80 H 5.4379 8.5943 114.7065 54.4955 32.9257 173.6067 81 D 4.7475 8.8513 121.4822 52.0927 40.8422 177.4501 82 K 4.0788 8.4964 117.6096 58.8313 31.9839 178.1135 83 L 4.3176 8.0823 117.1050 54.5616 41.9794 177.3491 84 G 4.0205 8.1778 107.3304 44.4545 0.0000 173.7876 85 K 4.2785 8.1269 122.4618 55.6055 33.2671 174.2289 86 P 4.7881 0.0000 0.0000 62.6314 32.5473 175.4330 87 L 4.8737 9.0287 121.5079 52.8440 45.7542 175.0294 88 L 5.1810 8.5446 123.7784 53.3577 44.5447 175.4223 89 I 4.6721 8.7276 126.2378 59.5632 40.6717 174.7103 90 L 5.0221 8.5407 126.0662 53.9049 43.4747 175.6248 91 S 4.2858 8.5746 115.3017 57.7607 66.9389 174.2582 92 G 3.9995 8.6806 106.9510 45.5854 0.0000 175.5355 93 Q 3.9120 8.5123 118.4174 58.8565 29.0066 178.3336 94 A 3.8461 7.9448 121.3903 55.1656 18.4060 179.3437 95 A 3.8849 7.7340 119.1701 55.1371 18.3803 179.7667 96 E 3.9017 8.0496 116.9652 59.5713 29.5666 179.5830 97 L 3.9692 8.2250 119.1097 57.7241 41.6062 179.4294 98 A 4.0350 8.2223 120.8627 55.2019 18.2514 179.9456 99 S 4.0816 8.1989 113.8130 61.8304 62.6870 176.8451 100 Q 4.0520 7.8668 119.8368 58.6475 28.5414 177.9988 101 L 4.2641 7.7835 117.0696 54.0880 41.8034 176.5980 102 Q 3.5034 8.1263 117.7423 56.5481 26.8151 173.7383 103 V 4.0700 8.0731 117.9064 63.3472 31.9507 175.0857 104 E 4.7473 9.2370 125.4897 56.2462 32.2786 176.0399 105 N 5.0693 8.0225 115.8951 51.4396 43.2024 173.4434 106 I 4.9279 8.2587 122.6666 59.8086 40.6430 174.4733 107 H 5.0126 9.2386 123.3380 53.8704 32.3001 172.4316 108 L 5.2144 8.5195 123.4158 53.4660 45.3415 175.2163 109 S 4.8354 9.0601 119.0461 56.7137 66.2659 172.5512 110 I 5.0922 8.2563 124.3890 59.8292 40.6025 174.7403 111 S 4.6738 8.4524 118.2968 56.8582 65.4773 172.5280 112 D 5.1271 8.4813 124.7852 51.5477 41.3173 174.8139 113 E 4.9088 8.7456 118.6544 54.9794 32.0367 175.9220 114 R 4.0286 8.8955 117.0025 59.7341 30.2685 177.9684 115 H 4.6270 9.0687 113.4497 55.6264 30.7088 173.4668 116 Y 5.3319 7.6837 115.9980 56.0799 42.0841 174.6783 117 A 5.4204 9.1814 123.7490 49.2117 23.0223 174.8962 *119 A 4.5656 8.2159 118.9381 52.5263 20.5036 176.0198 120 T 5.1640 8.5839 114.9755 61.8480 73.2120 173.4313 121 V 5.0135 8.8742 124.0644 61.2705 35.4233 174.1614 122 I 5.0502 8.8947 127.2385 59.5299 41.1278 174.1383 123 L 5.1183 8.8069 126.2369 52.9671 44.4094 175.1142 124 E 4.9216 9.0447 123.7023 54.2515 33.6173 175.9423 125 R 4.5901 8.4230 122.7656 55.9842 30.3349 176.4062 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 0 A 8.16 4.93 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *2 I 7.98 4.05 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.59 0.99 0.00 0.00 3 V 8.92 3.97 2.21 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 0.73 0.00 0.00 0.93 0.00 0.00 4 G 7.53 4.74 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 0.00 0.00 0.00 5 L 8.45 5.28 0.00 1.57 1.48 0.94 0.92 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 6 G 9.16 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 7 T 8.25 5.23 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 1.20 0.00 0.00 8 D 8.86 4.76 0.00 2.80 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 9 I 8.48 5.04 1.87 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 1.37 1.30 0.91 0.00 0.00 10 A 9.29 4.89 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.82 4.52 0.00 2.15 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 2.22 2.04 0.00 12 I 8.59 3.74 1.79 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 1.54 0.50 0.91 0.00 0.00 13 E 8.02 4.12 0.00 1.95 1.96 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 2.52 2.32 0.00 14 R 7.72 3.83 0.00 1.77 2.05 0.00 2.99 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.53 0.00 15 V 7.61 3.60 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 1.23 0.00 0.00 0.82 0.00 0.00 16 E 8.34 4.02 0.00 2.18 1.99 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 2.37 2.52 0.00 17 K 8.13 3.89 0.00 2.05 1.78 0.00 1.53 0.00 0.00 1.78 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.47 7.81 18 A 7.73 3.75 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.16 4.15 0.00 1.98 1.87 1.18 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 20 A 8.05 4.07 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 21 R 7.55 4.23 0.00 1.68 1.95 0.00 3.13 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 1.58 1.62 0.00 22 S 8.53 4.72 0.00 3.91 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 23 G 8.81 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 24 E 9.25 4.03 0.00 2.05 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 0.00 2.52 2.43 0.00 25 N 7.78 4.24 0.00 2.86 2.96 0.00 0.00 7.02 7.30 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 26 F 8.20 4.51 0.00 3.03 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 27 A 8.07 3.38 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.45 3.92 0.00 1.86 2.02 0.00 3.19 0.00 0.00 3.24 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.88 0.00 29 R 7.63 4.09 0.00 1.91 1.99 0.00 3.30 0.00 0.00 3.32 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.93 0.00 30 I 7.26 3.59 1.44 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.17 0.61 0.00 0.00 31 L 7.18 4.86 0.00 1.51 1.49 0.44 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 32 T 8.65 4.00 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 33 D 8.51 4.37 0.00 2.65 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 34 S 7.97 4.25 0.00 3.89 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.23 4.21 0.00 2.26 2.11 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 2.41 2.40 0.00 36 L 7.95 4.01 0.00 1.91 1.62 0.95 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 37 E 7.62 3.99 0.00 2.11 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 2.38 2.55 0.00 38 Q 8.05 4.14 0.00 2.48 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.87 0.00 0.00 0.00 0.00 0.00 2.55 2.53 0.00 39 F 7.91 2.64 0.00 2.65 2.93 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 40 H 8.43 3.99 0.00 3.23 3.25 0.00 5.72 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 7.42 4.12 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 S 6.83 4.14 0.00 3.63 3.49 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 43 K 8.43 4.42 0.00 1.74 1.76 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.31 1.39 7.81 44 Q 8.20 4.60 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.80 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 45 Q 7.93 4.05 0.00 1.91 1.74 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 1.64 2.15 0.00 46 G 8.14 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 0.00 0.00 0.00 47 R 8.04 3.99 0.00 2.05 2.04 0.00 3.14 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.72 0.00 48 F 8.54 4.09 0.00 3.32 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 8.81 4.17 0.00 2.08 1.84 0.63 0.80 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 50 A 8.40 4.11 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 51 K 8.03 3.97 0.00 1.91 1.81 0.00 1.64 0.00 0.00 1.65 0.00 0.00 3.15 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.62 7.81 52 R 7.86 3.86 0.00 2.01 1.98 0.00 3.25 0.00 0.00 2.97 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.76 0.00 53 F 8.87 3.95 0.00 3.15 3.22 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 54 A 8.69 4.52 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 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.19 3.88 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 56 K 8.12 3.53 0.00 1.93 1.83 0.00 1.84 0.00 0.00 2.15 0.00 0.00 3.10 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.54 1.66 7.81 57 E 8.06 3.60 0.00 2.00 1.88 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 2.02 1.88 0.00 58 A 8.05 3.87 1.31 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 59 A 7.88 3.83 0.94 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 60 S 7.58 4.08 0.00 4.05 3.73 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 61 K 7.95 3.94 0.00 1.92 1.85 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.56 7.81 62 A 8.06 4.15 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 63 L 7.72 3.98 0.00 1.90 1.94 0.95 1.24 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 64 G 7.99 4.01 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 0.00 65 T 7.63 4.22 4.23 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 1.21 0.00 0.00 66 G 7.79 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 0.00 0.00 0.00 67 I 7.78 3.85 1.62 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 -0.23 0.62 0.00 0.00 68 A 8.37 4.17 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 Q 9.80 3.53 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.59 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 70 G 8.50 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 V 7.71 4.07 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 1.03 0.00 0.00 0.90 0.00 0.00 72 T 8.51 4.71 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 1.19 0.00 0.00 73 F 8.65 4.26 0.00 3.26 3.34 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 74 H 7.86 4.56 0.00 3.17 3.34 0.00 5.67 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 D 8.04 4.48 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 F 7.82 5.28 0.00 2.87 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 77 T 9.02 4.85 4.26 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 1.24 0.00 0.00 78 I 8.92 4.92 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 1.45 0.78 0.80 0.00 0.00 79 S 8.90 4.90 0.00 3.84 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 80 H 8.59 5.44 0.00 2.98 3.20 0.00 5.89 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 D 8.85 4.75 0.00 2.91 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 82 K 8.50 4.08 0.00 1.78 1.93 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.47 7.81 83 L 8.08 4.32 0.00 1.77 1.71 0.93 0.83 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 84 G 8.18 4.02 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 0.00 0.00 0.00 85 K 8.13 4.28 0.00 1.87 2.04 0.00 1.73 0.00 0.00 1.88 0.00 0.00 3.14 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.51 1.45 7.81 86 P 0.00 4.79 0.00 2.05 1.98 0.00 3.77 0.00 0.00 3.79 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 87 L 9.03 4.87 0.00 1.49 1.53 0.92 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 88 L 8.54 5.18 0.00 1.60 1.52 1.07 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 89 I 8.73 4.67 1.88 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 0.55 0.90 0.00 0.00 90 L 8.54 5.02 0.00 1.46 1.43 0.94 0.99 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 91 S 8.57 4.29 0.00 3.76 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 92 G 8.68 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 Q 8.51 3.91 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.54 2.44 0.00 94 A 7.94 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 A 7.73 3.88 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 96 E 8.05 3.90 0.00 2.13 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 2.50 2.46 0.00 97 L 8.23 3.97 0.00 1.79 1.70 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 98 A 8.22 4.03 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 99 S 8.20 4.08 0.00 4.03 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 0.00 100 Q 7.87 4.05 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.95 0.00 0.00 0.00 0.00 0.00 2.39 2.59 0.00 101 L 7.78 4.26 0.00 1.77 1.70 0.95 0.74 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 0.00 102 Q 8.13 3.50 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.99 0.00 0.00 0.00 0.00 0.00 2.27 2.41 0.00 103 V 8.07 4.07 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 0.80 0.00 0.00 0.96 0.00 0.00 104 E 9.24 4.75 0.00 1.80 1.93 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 2.22 2.37 0.00 105 N 8.02 5.07 0.00 2.69 2.58 0.00 0.00 6.93 7.27 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 0.00 106 I 8.26 4.93 1.83 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.58 0.96 0.00 0.00 107 H 9.24 5.01 0.00 3.09 3.16 0.00 5.75 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 L 8.52 5.21 0.00 1.56 1.46 0.89 0.81 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 0.00 109 S 9.06 4.84 0.00 3.90 3.61 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 0.00 110 I 8.26 5.09 1.87 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 1.22 0.77 0.91 0.00 0.00 111 S 8.45 4.67 0.00 3.80 3.65 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 0.00 0.00 0.00 0.00 112 D 8.48 5.13 0.00 2.93 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 0.00 113 E 8.75 4.91 0.00 2.18 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 2.27 2.37 0.00 114 R 8.90 4.03 0.00 1.72 1.89 0.00 3.09 0.00 0.00 3.15 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.47 0.00 115 H 9.07 4.63 0.00 3.03 2.60 0.00 5.80 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 0.00 116 Y 7.68 5.33 0.00 3.08 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 0.00 117 A 9.18 5.42 1.29 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 0.00 0.00 0.00 *119 A 8.22 4.57 1.29 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 0.00 0.00 0.00 120 T 8.58 5.16 4.23 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 1.23 0.00 0.00 121 V 8.87 5.01 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 1.08 0.00 0.00 0.89 0.00 0.00 122 I 8.89 5.05 1.91 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 1.23 0.59 0.97 0.00 0.00 123 L 8.81 5.12 0.00 1.59 1.56 0.98 0.50 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 0.00 124 E 9.04 4.92 0.00 2.03 1.92 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 2.20 2.27 0.00 125 R 8.42 4.59 0.00 1.92 1.81 0.00 3.49 0.00 0.00 3.34 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.61 0.00 * Residues marked with a * may have inaccurate shift predictions.