NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.2991 8.3344 115.4061 57.4743 64.1569 172.8259 8 K 3.9869 8.1204 122.9511 55.9841 32.5345 175.4002 9 D 4.8148 8.1287 121.2301 57.0297 42.0708 178.0591 10 I 3.8833 7.6160 113.1524 62.3063 37.3968 176.9442 11 R 3.8463 6.7814 121.7198 58.2231 29.9127 175.7217 12 D 4.7596 7.7513 116.0077 53.9647 43.5402 176.1489 13 Y 4.9039 7.7341 118.9559 56.8333 36.6493 176.0076 14 S 4.6076 8.8448 121.1793 57.5754 65.5134 175.3211 15 G 3.6434 8.5332 107.9977 47.6942 0.0000 175.5098 16 L 4.1121 7.9061 121.7539 57.4308 42.2741 178.5005 17 E 4.1829 7.7781 117.6509 58.9605 29.6332 178.7223 18 L 3.8759 8.0045 118.8616 57.7161 41.5995 179.4328 19 A 4.0715 8.0983 120.7872 55.0047 18.3496 179.3784 20 F 4.2205 7.8896 118.6074 61.4276 39.4195 177.2131 21 L 3.8554 7.8974 119.8176 57.9438 41.8577 179.1033 22 G 3.5653 8.2951 106.1583 47.7932 0.0000 174.8179 23 D 4.5700 9.0588 122.1792 56.6018 41.1877 178.5396 24 A 4.0080 7.4875 120.0818 54.9199 18.5003 179.7303 25 I 3.5883 7.5680 118.6238 63.9522 37.1391 178.4708 26 W 4.0431 8.9660 129.7046 60.5568 30.6325 177.7413 27 E 4.0117 8.3846 118.5859 59.4229 28.9138 179.2522 28 L 3.9147 7.8241 119.9290 58.1351 42.1826 178.7243 29 E 3.8175 7.8567 118.0330 59.5834 29.4366 179.4059 30 I 3.5676 7.3938 119.4834 64.4547 37.1988 178.8053 31 R 4.0128 8.1090 118.7822 59.2224 29.7140 178.9468 32 K 3.8833 8.3636 118.5093 59.5553 32.1478 178.0041 33 Y 4.0074 7.8479 118.9265 60.9176 38.6559 177.0338 34 Y 4.5049 7.9466 116.2274 59.4771 37.8076 176.5121 35 L 4.5334 7.3747 120.6336 55.0098 42.1655 176.3848 36 Q 4.2089 6.6763 112.3085 55.7652 28.8437 175.9485 37 F 4.4170 7.5399 116.7223 57.3498 40.1195 176.3672 38 G 3.7836 8.0329 107.7152 46.0385 0.0000 173.1786 39 Y 4.5441 7.5753 116.1668 57.0903 38.8794 176.1545 40 N 4.6783 8.7242 120.5147 52.4566 39.7516 176.0961 41 I 3.7068 8.4494 123.5769 64.4603 36.7390 176.6358 42 P 4.2709 0.0000 0.0000 66.2235 31.0629 178.5605 43 T 3.8726 7.8291 114.9757 65.9385 68.5811 176.2277 44 L 4.0028 8.3669 122.8021 58.4967 42.0507 178.8231 45 N 4.3031 8.1343 116.0465 56.2165 38.5142 177.1349 46 K 3.7424 7.5476 119.7809 59.7811 32.0004 178.3375 47 Y 3.6283 7.3510 115.7196 60.6790 37.9244 178.7882 48 V 3.9084 7.6650 119.9716 65.0424 31.5312 178.6086 49 K 4.1771 8.6286 119.7991 58.7059 31.6297 178.6833 50 A 4.1801 7.8733 119.3684 53.4162 18.3880 178.4007 51 K 4.1185 8.3162 115.0639 55.8351 33.4566 176.4911 52 V 4.6532 7.4701 118.5659 62.8888 33.4056 176.2997 53 N 4.5664 8.1155 117.6434 52.9151 39.0306 175.3362 54 A 3.9519 8.7523 124.1254 55.4708 18.3306 180.3232 55 K 3.8981 8.1250 116.3329 60.0084 32.1681 178.7791 56 Y 4.0773 9.0345 120.0012 60.6890 38.6987 177.8499 57 Q 3.8702 8.1076 118.7821 58.5380 28.6930 178.2528 58 S 4.0249 8.1875 114.5513 61.6240 62.3416 176.0007 59 L 3.8426 7.5406 120.7583 58.0747 41.3275 179.3580 60 I 3.5539 7.2419 118.8749 64.9573 37.0464 177.4378 61 Y 3.9582 8.0266 119.8008 60.8266 38.4370 178.2972 62 K 3.6788 8.0105 118.7809 59.2487 32.2070 179.0442 63 K 4.0330 7.8719 119.6082 58.9846 32.4897 178.1550 64 I 4.0619 7.8814 112.8994 62.5490 38.4909 177.3422 65 I 3.4206 7.9150 120.8198 64.2065 37.1724 177.4657 66 N 4.4045 7.8941 116.0418 55.6746 38.5884 175.9279 67 D 4.6920 7.6719 116.9826 53.1017 41.7441 176.5215 68 L 4.2627 6.8358 121.3255 54.2366 42.9802 176.3331 69 D 4.5592 8.8962 124.4126 54.5090 41.7456 177.1267 70 E 3.8964 9.1245 123.3626 59.8785 29.3089 179.3449 71 E 3.6838 8.0802 118.4511 59.6467 29.2531 178.9424 72 F 4.3890 8.0344 117.4714 60.1184 39.0621 177.8827 73 K 3.8737 8.1974 117.7933 59.6057 31.7055 179.1922 74 V 3.5789 8.2013 118.5579 66.0512 31.6224 177.8991 75 I 3.8251 7.5479 119.5901 64.5454 36.8318 178.4206 76 G 3.8863 8.9530 105.9474 47.8596 0.0000 175.2404 77 K 4.1874 8.4632 122.5551 59.1615 32.2075 178.8535 78 R 4.1539 8.1438 113.6096 57.9118 29.7352 177.6810 79 A 4.2543 7.7486 121.9214 54.6947 18.7700 179.3311 80 K 4.2488 7.7711 115.2146 57.6193 33.2409 177.3456 81 N 4.7270 7.2709 115.2232 50.7808 38.6042 172.9618 *84 I 3.8388 7.4695 121.1277 60.7159 40.2089 174.9922 85 K 3.5001 8.8593 124.4235 57.2546 31.1681 176.3112 86 T 3.5607 8.3090 114.9797 61.2081 68.0931 174.2554 87 F 3.9917 7.2933 126.1962 57.2334 39.4922 173.9155 88 P 3.9751 0.0000 0.0000 62.8763 30.1436 175.9958 89 R 3.8474 8.2916 124.0599 58.5835 30.7886 177.3807 90 S 4.7581 7.3522 113.1804 55.9086 62.7386 172.6229 91 C 4.8695 7.1201 113.6801 58.7074 31.7080 174.1685 92 T 4.0560 7.9383 117.5018 63.5849 68.6933 176.5491 93 V 3.5371 8.2296 120.3920 63.8257 31.1958 177.7598 *95 E 4.2674 8.3234 119.3692 56.0849 31.3531 177.6552 96 Y 3.9778 8.0391 119.1093 60.3820 38.6146 178.3237 97 K 3.9226 8.2688 119.5275 59.6100 32.2907 179.3093 98 E 3.2471 8.0013 117.9449 58.8502 29.2941 179.2387 99 A 3.7362 8.0039 121.5143 55.3668 18.4616 179.8668 100 T 3.5968 7.6157 114.1019 66.4013 68.3844 176.8886 101 A 3.8927 7.7699 123.2122 54.7536 18.3105 179.4416 102 L 3.9791 7.5920 118.9723 58.2955 41.5981 179.1162 103 E 3.8348 8.0129 118.4270 59.2435 29.3908 179.1638 104 A 3.9976 8.0465 120.8567 55.0988 18.1603 179.8350 105 I 3.8275 7.6268 117.7370 64.4984 37.2480 178.3128 106 I 3.9304 7.5915 119.8151 64.4688 37.2409 178.0699 107 G 3.9619 8.2444 106.0453 47.9126 0.0000 176.0293 108 A 4.3840 7.9862 120.3122 52.5402 18.2923 178.7449 *110 Y 4.4590 7.8272 121.7881 59.2166 40.4857 177.2410 111 L 4.3118 8.2982 118.5994 57.5934 42.1587 178.1662 112 L 4.4571 8.1642 117.2876 53.8826 41.6671 177.3930 113 K 3.7921 8.5584 116.6129 57.2321 30.5908 176.9484 114 K 4.5242 7.7372 117.4507 56.3602 31.9244 178.5831 115 E 3.9004 8.5023 121.8433 59.1402 29.5945 178.4320 116 E 4.0701 8.0523 119.2152 58.9491 29.9119 178.0072 117 E 4.1681 8.8671 118.9626 58.7161 29.5222 179.1668 118 I 3.7944 7.5459 119.9821 64.2518 37.2600 178.2999 119 K 4.0690 7.7692 118.1476 59.0231 31.6638 179.3330 120 K 3.8878 7.5569 118.7642 59.5616 31.6302 178.9704 121 I 3.7592 7.5855 119.4565 64.5558 37.2153 178.4049 122 I 3.5745 8.1887 121.0155 64.5619 36.8954 178.2397 123 N 4.2823 8.6573 117.5739 56.2945 38.0899 177.3944 124 I 3.8045 7.3276 120.6231 64.3322 37.5441 178.3804 125 V 4.0120 7.6723 119.7100 65.4203 31.3466 178.2300 126 I 3.5141 7.4165 112.8574 63.6171 37.2886 178.2566 127 K 4.0988 8.5174 119.8928 59.0334 32.4350 178.6174 128 G 3.8909 7.5480 104.1311 45.7798 0.0000 173.6755 129 E 4.5645 8.0058 121.2576 55.9210 29.7266 175.9189 130 L 4.4192 7.6274 122.6674 55.0831 42.6291 176.1921 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 7 S 8.33 4.30 0.00 3.80 3.79 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 8 K 8.12 3.99 0.00 1.93 1.73 0.00 1.65 0.00 0.00 1.84 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.52 1.61 7.81 9 D 8.13 4.81 0.00 2.87 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 10 I 7.62 3.88 1.89 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 1.32 0.53 0.93 0.00 0.00 11 R 6.78 3.85 0.00 1.74 1.80 0.00 3.21 0.00 0.00 3.19 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 12 D 7.75 4.76 0.00 2.49 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 13 Y 7.73 4.90 0.00 3.21 2.86 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 14 S 8.84 4.61 0.00 4.05 4.06 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 15 G 8.53 3.64 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 0.00 16 L 7.91 4.11 0.00 1.77 1.66 0.94 0.97 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 17 E 7.78 4.18 0.00 2.35 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 0.00 2.36 2.39 0.00 18 L 8.00 3.88 0.00 1.71 1.85 0.98 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 19 A 8.10 4.07 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 20 F 7.89 4.22 0.00 3.20 3.27 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 21 L 7.90 3.86 0.00 1.72 1.76 0.72 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 22 G 8.30 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 D 9.06 4.57 0.00 3.00 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 24 A 7.49 4.01 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 25 I 7.57 3.59 1.95 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 1.01 0.90 0.00 0.00 26 W 8.97 4.04 0.00 3.45 3.21 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 27 E 8.38 4.01 0.00 2.20 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.51 0.00 28 L 7.82 3.91 0.00 1.70 1.85 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 29 E 7.86 3.82 0.00 1.85 1.71 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 2.45 2.39 0.00 30 I 7.39 3.57 1.81 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.67 1.19 0.00 0.00 31 R 8.11 4.01 0.00 2.04 2.01 0.00 3.15 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.95 0.00 32 K 8.36 3.88 0.00 1.94 1.88 0.00 1.75 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.42 7.81 33 Y 7.85 4.01 0.00 2.79 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 34 Y 7.95 4.50 0.00 3.22 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 35 L 7.37 4.53 0.00 1.80 1.60 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 36 Q 6.68 4.21 0.00 1.74 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.45 6.56 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 37 F 7.54 4.42 0.00 2.15 2.27 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 38 G 8.03 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 39 Y 7.58 4.54 0.00 3.06 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 N 8.72 4.68 0.00 2.99 3.00 0.00 0.00 6.06 7.77 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 41 I 8.45 3.71 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.80 0.93 0.00 0.00 42 P 0.00 4.27 0.00 2.25 2.31 0.00 3.67 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.07 0.00 43 T 7.83 3.87 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 44 L 8.37 4.00 0.00 1.93 1.95 1.11 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 45 N 8.13 4.30 0.00 3.01 2.84 0.00 0.00 6.70 7.84 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 46 K 7.55 3.74 0.00 1.69 1.60 0.00 1.46 0.00 0.00 1.47 0.00 0.00 2.54 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.13 1.32 7.81 47 Y 7.35 3.63 0.00 2.36 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 48 V 7.66 3.91 2.22 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 0.96 0.00 0.00 1.02 0.00 0.00 49 K 8.63 4.18 0.00 1.77 1.91 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.48 1.66 7.81 50 A 7.87 4.18 1.26 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 0.00 0.00 51 K 8.32 4.12 0.00 1.83 1.76 0.00 0.85 0.00 0.00 0.67 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.53 1.73 7.81 52 V 7.47 4.65 2.28 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 1.03 0.00 0.00 1.29 0.00 0.00 53 N 8.12 4.57 0.00 3.10 3.00 0.00 0.00 6.14 7.94 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 54 A 8.75 3.95 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 K 8.13 3.90 0.00 2.08 1.93 0.00 1.86 0.00 0.00 1.79 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.58 1.56 7.81 56 Y 9.03 4.08 0.00 3.04 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 Q 8.11 3.87 0.00 1.94 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.52 0.00 0.00 0.00 0.00 0.00 2.10 2.57 0.00 58 S 8.19 4.02 0.00 3.90 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 59 L 7.54 3.84 0.00 1.57 1.48 0.87 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 60 I 7.24 3.55 1.86 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 1.14 1.18 0.98 0.00 0.00 61 Y 8.03 3.96 0.00 2.88 3.11 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 62 K 8.01 3.68 0.00 1.86 1.86 0.00 1.92 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.61 1.84 7.81 63 K 7.87 4.03 0.00 1.76 1.90 0.00 1.63 0.00 0.00 1.72 0.00 0.00 3.16 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.45 7.81 64 I 7.88 4.06 1.81 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 1.56 0.43 0.94 0.00 0.00 65 I 7.92 3.42 0.56 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 1.17 0.99 0.47 0.00 0.00 66 N 7.89 4.40 0.00 2.67 2.82 0.00 0.00 6.86 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 67 D 7.67 4.69 0.00 2.63 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 L 6.84 4.26 0.00 1.93 1.65 0.86 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 69 D 8.90 4.56 0.00 3.14 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 70 E 9.12 3.90 0.00 1.93 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.35 0.00 71 E 8.08 3.68 0.00 1.73 1.30 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 1.67 2.15 0.00 72 F 8.03 4.39 0.00 3.32 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 K 8.20 3.87 0.00 2.01 1.92 0.00 1.81 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.55 1.70 7.81 74 V 8.20 3.58 2.24 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 1.13 0.00 0.00 0.95 0.00 0.00 75 I 7.55 3.83 2.17 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.98 1.00 0.00 0.00 76 G 8.95 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 K 8.46 4.19 0.00 2.04 1.96 0.00 1.67 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.50 7.81 78 R 8.14 4.15 0.00 2.01 2.06 0.00 3.14 0.00 0.00 3.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.67 0.00 79 A 7.75 4.25 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 K 7.77 4.25 0.00 1.87 1.84 0.00 1.63 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.24 1.56 7.81 81 N 7.27 4.73 0.00 2.73 2.72 0.00 0.00 6.86 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 *84 I 7.47 3.84 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.62 0.90 0.00 0.00 85 K 8.86 3.50 0.00 1.79 1.47 0.00 1.62 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.21 1.28 7.81 86 T 8.31 3.56 4.08 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 1.08 0.00 0.00 87 F 7.29 3.99 0.00 3.01 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 88 P 0.00 3.98 0.00 2.41 2.07 0.00 3.84 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 89 R 8.29 3.85 0.00 1.80 1.97 0.00 3.22 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 90 S 7.35 4.76 0.00 4.02 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 C 7.12 4.87 0.00 3.33 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 T 7.94 4.06 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 93 V 8.23 3.54 2.10 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 1.04 0.00 0.00 0.93 0.00 0.00 *95 E 8.32 4.27 0.00 2.32 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 2.31 2.32 0.00 96 Y 8.04 3.98 0.00 3.05 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 97 K 8.27 3.92 0.00 1.83 1.78 0.00 1.75 0.00 0.00 1.81 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.78 7.81 98 E 8.00 3.25 0.00 1.88 1.80 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 2.29 2.26 0.00 99 A 8.00 3.74 1.19 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 0.00 0.00 0.00 100 T 7.62 3.60 4.16 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 1.11 0.00 0.00 101 A 7.77 3.89 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 L 7.59 3.98 0.00 1.75 1.59 0.06 0.80 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 0.00 103 E 8.01 3.83 0.00 2.06 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 2.14 2.23 0.00 104 A 8.05 4.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 I 7.63 3.83 2.06 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.86 0.81 0.00 0.00 106 I 7.59 3.93 2.07 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.91 1.02 0.00 0.00 107 G 8.24 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 0.00 0.00 0.00 108 A 7.99 4.38 1.59 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 *110 Y 7.83 4.46 0.00 3.05 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 0.00 111 L 8.30 4.31 0.00 1.76 1.85 0.67 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 112 L 8.16 4.46 0.00 1.92 1.76 1.08 0.67 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 0.00 113 K 8.56 3.79 0.00 1.93 1.84 0.00 1.46 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.33 7.81 114 K 7.74 4.52 0.00 1.84 1.83 0.00 1.83 0.00 0.00 1.72 0.00 0.00 3.14 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.71 1.88 7.81 115 E 8.50 3.90 0.00 1.91 2.00 0.00 0.00 0.00 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 2.16 0.00 116 E 8.05 4.07 0.00 2.07 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 2.37 2.45 0.00 117 E 8.87 4.17 0.00 1.94 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 2.32 2.45 0.00 118 I 7.55 3.79 2.07 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.56 0.97 0.00 0.00 119 K 7.77 4.07 0.00 1.94 1.84 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.43 7.81 120 K 7.56 3.89 0.00 1.97 1.79 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.47 7.81 121 I 7.59 3.76 2.13 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 1.54 1.14 1.19 0.00 0.00 122 I 8.19 3.57 1.90 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.43 0.67 0.00 0.00 123 N 8.66 4.28 0.00 2.80 2.83 0.00 0.00 7.02 7.34 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 0.00 124 I 7.33 3.80 2.11 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 1.41 0.65 0.94 0.00 0.00 125 V 7.67 4.01 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 1.13 0.00 0.00 1.20 0.00 0.00 126 I 7.42 3.51 1.40 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 1.39 0.87 0.05 0.00 0.00 127 K 8.52 4.10 0.00 1.88 2.06 0.00 1.60 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.68 1.47 7.81 128 G 7.55 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 E 8.01 4.56 0.00 2.14 2.07 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 2.46 2.65 0.00 130 L 7.63 4.42 0.00 1.65 1.52 0.98 0.93 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 * Residues marked with a * may have inaccurate shift predictions.