NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7519 8.3544 109.7350 45.2350 0.0000 173.5325 *2 E 3.9374 8.2385 118.6837 55.1712 31.2818 175.2579 3 V 3.7983 8.3169 125.6053 62.1970 31.8105 175.4179 4 I 4.1873 8.2498 129.4101 59.7673 36.9393 174.5636 5 E 4.6779 8.2171 123.0280 54.7796 32.1251 174.7959 6 S 4.8531 7.9315 112.9333 57.7577 67.2991 174.2459 7 K 4.6304 9.0600 119.9569 54.6314 36.6385 175.1801 8 W 4.7592 8.6509 133.5093 55.8822 33.3722 174.8586 9 Y 4.2674 7.9618 126.1912 56.4676 37.4094 174.1995 10 K 4.2153 8.3441 125.1159 55.8023 33.4883 176.5799 11 K 4.5511 8.4131 125.2268 54.5363 35.0350 175.5230 12 D 4.5378 8.5674 120.9141 54.5663 41.7909 176.8780 13 G 4.3371 8.7366 108.3974 45.5797 0.0000 173.1208 14 A 4.4422 8.7630 124.9712 51.2810 19.0589 178.1099 15 S 4.2611 8.6593 116.2153 57.8768 64.1268 175.6148 16 S 4.0741 8.7450 117.7419 61.7048 62.5278 176.6378 17 A 3.9886 7.9752 124.1092 54.9268 17.6669 179.5742 18 S 4.0832 7.9856 112.7966 61.4773 63.1080 176.9177 19 I 3.7621 7.4154 123.4612 64.1795 36.8394 177.7810 20 D 4.3412 8.3017 119.0139 57.3734 40.9844 177.9819 21 D 4.3289 8.3583 119.7539 57.3403 40.7839 178.9875 22 V 3.6083 7.4515 118.0494 65.9189 31.6411 177.9434 23 E 3.9835 8.2532 118.3931 59.2691 29.0251 179.5583 24 K 3.9681 8.0590 117.8805 59.5377 32.2400 179.1834 25 L 4.1268 7.7417 117.9668 57.2571 41.6049 178.7402 26 L 4.2308 7.8191 116.6792 53.7723 42.4830 175.7953 27 N 4.1115 7.7596 116.5046 53.8093 37.8601 172.7636 28 T 4.5386 7.4479 108.0720 61.2358 70.6784 171.7437 29 T 4.6445 8.0516 114.5904 59.8466 70.5296 174.6999 30 L 4.3476 8.9303 124.7325 53.3879 42.8431 175.8048 31 P 4.4567 0.0000 0.0000 62.7148 32.9457 177.9306 32 K 3.9720 8.6662 121.4514 59.8513 32.0939 179.7265 33 Q 4.0022 8.0354 117.8217 58.8420 28.6544 177.8757 34 Y 3.1363 7.7936 120.1635 60.3681 38.8148 178.0808 35 K 3.6639 7.9395 119.3554 59.5261 31.6269 179.4950 36 S 4.0744 8.1852 115.5100 61.4531 62.7222 176.6166 37 F 4.0772 8.0677 123.3430 61.2692 39.1730 177.2066 38 L 4.4958 7.8229 120.0505 57.3122 41.4468 179.5308 39 L 4.2041 8.1650 118.8352 56.8422 41.1938 179.2365 40 W 4.4356 7.3649 126.6606 58.1559 31.1360 176.3108 41 S 4.7293 7.9601 114.2910 55.6880 64.1865 172.9601 42 N 4.7963 8.6685 129.8569 52.0727 37.0681 175.2762 43 G 4.0669 7.6832 109.1111 43.9467 0.0000 168.7988 44 G 4.0751 7.1686 104.1168 43.9357 0.0000 172.0921 45 E 4.5880 7.1594 115.5777 55.3144 33.5642 174.2062 46 G 4.1533 8.0934 106.5765 45.8633 0.0000 172.0598 47 K 4.8090 8.7551 120.9227 54.6098 34.4891 174.9216 48 L 4.6231 8.8620 129.6688 52.3496 43.2244 177.3591 49 G 3.6749 8.6394 115.3935 47.2564 0.0000 173.6429 50 D 4.4179 8.6108 124.0113 54.0710 41.0701 175.3157 51 N 4.7514 7.9757 119.2068 51.6466 39.3916 173.5838 52 Y 4.7301 8.4538 121.9585 57.6991 39.0099 175.2827 53 I 4.8248 8.6937 124.5196 59.7415 41.3559 173.8425 54 Y 5.0384 9.0186 123.9464 56.4431 40.9329 174.3965 55 I 4.7752 9.1481 126.0303 59.2993 39.8891 175.5409 56 W 5.2282 8.7799 126.5430 56.1648 29.9972 176.5111 57 A 4.6115 9.0937 126.0018 52.1447 18.7454 178.6017 58 I 3.8713 9.1914 121.4089 64.3189 37.8108 178.2911 59 E 4.2105 8.3362 117.4211 58.1490 29.6849 177.4594 60 D 4.8059 8.3366 118.1261 54.3112 42.0672 178.4270 61 V 4.1225 7.8753 119.8179 66.2167 31.6078 177.9187 62 I 4.1163 7.9905 118.8652 64.4837 37.0126 178.1196 63 A 3.9862 7.9842 121.1218 55.3029 18.2698 179.1206 64 Y 3.7493 7.8732 115.2308 61.2415 37.8185 178.5210 65 N 4.5620 8.6107 117.4507 56.6613 38.4899 177.0022 66 H 4.1603 8.5021 119.6515 59.3323 29.7828 176.9097 67 D 4.1515 8.0587 118.8704 57.1507 41.1266 177.0576 68 Y 4.5318 7.9981 114.9772 57.5419 38.6204 175.5321 69 G 3.9864 7.9557 108.6752 46.7136 0.0000 176.6187 70 I 3.7296 7.9559 122.2696 64.2572 37.3486 179.1446 71 Q 3.9775 7.7207 117.4298 58.3594 28.9812 177.4002 72 K 3.8922 8.0559 118.2194 59.1611 32.2850 176.9404 73 Y 4.4528 7.7997 114.4021 58.6570 40.3754 176.5168 74 L 4.3314 8.2014 116.1573 54.5766 40.3750 179.1087 75 Q 4.6787 8.8631 124.4628 54.7167 33.0526 175.2942 76 K 4.0240 8.7573 118.9515 59.7776 32.6175 177.6029 77 E 4.3938 8.2611 117.7116 57.2268 30.0426 174.7537 78 Y 5.3257 7.8444 117.3071 55.9489 40.2163 175.4035 79 W 5.0689 9.4870 123.4062 54.6958 33.1969 174.6406 80 A 4.7784 9.6494 127.8909 51.9034 18.5561 177.2165 81 F 4.9981 8.3810 114.7300 55.9004 39.6816 175.1023 82 G 3.0709 5.7216 107.1628 45.6574 0.0000 171.5661 *84 D 4.8233 7.9785 116.8892 54.9073 42.0633 177.7484 85 G 3.8261 8.0972 117.9617 46.1628 0.0000 174.7730 86 D 4.3917 8.8199 127.0214 56.2536 40.8129 175.4238 87 I 4.4317 7.5629 120.4612 60.1351 38.1987 175.6348 88 G 3.8415 8.7196 114.3347 44.5692 0.0000 171.7437 89 Y 4.7866 8.0402 121.7909 56.0118 39.9465 174.9057 90 I 5.1595 8.6653 125.1483 59.2720 41.2237 174.5120 91 L 5.4113 9.5179 125.7816 54.4304 43.7553 174.5939 92 H 5.1287 9.0475 121.2546 54.6254 30.8320 175.4844 93 L 4.1986 9.2203 127.4547 57.3528 41.4337 178.7876 94 S 4.3440 7.8861 112.5338 59.8059 63.6091 174.5555 95 D 4.6284 7.3952 115.9668 52.5186 40.9405 175.8050 96 N 4.4906 8.7672 117.1088 53.5717 37.4738 174.3349 97 S 4.7987 8.2771 113.6745 58.3380 64.8621 173.0912 98 I 5.0444 8.2609 121.3847 59.8292 40.0745 174.5103 99 Y 5.0331 9.2734 123.0768 56.2786 42.5619 174.3582 100 R 4.8388 9.0656 120.5201 54.7199 33.0879 175.7529 101 V 4.6216 8.2585 114.7970 59.6666 37.0010 173.9208 102 D 4.9515 8.3420 122.2011 53.0784 41.4748 177.2466 103 L 3.8354 9.1149 127.8324 57.0342 41.7225 178.4019 104 G 3.8594 8.3216 106.1870 45.7208 0.0000 173.9864 105 D 4.5545 7.6504 118.5184 53.0876 42.0776 175.0752 106 L 4.0138 7.2116 120.3910 54.6116 42.9074 177.0007 107 D 4.4323 8.2051 120.3771 53.1047 44.1907 175.7842 108 I 3.3916 8.4775 127.2505 64.0456 38.0473 176.9782 109 T 4.1125 8.9420 109.3039 62.4552 69.0215 175.0997 110 S 4.6612 7.8986 115.8538 57.5336 63.7624 174.1054 111 I 3.8023 7.1366 114.7008 61.2287 38.2242 175.2512 112 K 4.6624 8.9487 126.3624 54.6196 34.5178 174.3897 113 Y 3.8338 8.9366 129.6918 57.5267 38.7476 174.9217 114 I 4.3589 7.5800 119.2246 61.3922 40.1211 175.3002 115 A 4.4533 6.1857 121.6588 50.2806 21.9852 175.3463 116 P 4.5062 0.0000 0.0000 63.8472 32.3503 176.2222 117 S 5.0968 7.2089 114.4931 57.2173 66.6173 175.3427 118 F 3.8599 8.5786 123.4430 61.6457 39.1414 176.7663 119 D 4.3393 8.9608 118.9100 57.1249 40.4790 178.1954 120 D 4.2787 7.8305 118.7303 57.2454 41.3472 177.9008 121 F 4.1286 8.1738 121.1234 61.5493 39.0718 177.1105 122 L 3.4101 7.3815 117.0482 57.3253 41.6923 179.6105 123 G 3.6406 7.9679 105.6452 47.7836 0.0000 175.7055 124 K 3.5380 8.2762 121.5945 59.2769 31.8439 179.1306 125 A 3.2079 7.2712 119.1865 54.8283 18.2253 179.4851 126 I 3.7913 7.3641 117.4964 63.6428 37.2233 176.3483 127 Y 4.7534 7.8243 113.7755 55.7580 39.2214 175.0473 128 L 4.2969 7.1284 120.1966 52.7314 44.5750 175.3539 129 N 4.4554 8.3928 122.8797 52.4565 38.7057 175.5263 130 F 4.5740 8.8017 125.9457 60.0788 39.1305 176.2843 131 N 4.6113 8.7114 116.7130 52.6547 38.6671 175.3323 132 K 4.2669 8.0155 123.9209 56.9803 32.9359 174.6003 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 G 8.35 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 0.00 0.00 0.00 *2 E 8.24 3.94 0.00 1.95 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 2.18 2.30 0.00 3 V 8.32 3.80 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 0.85 0.00 0.00 0.92 0.00 0.00 4 I 8.25 4.19 1.84 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 1.60 0.99 0.87 0.00 0.00 5 E 8.22 4.68 0.00 2.03 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 2.16 2.28 0.00 6 S 7.93 4.85 0.00 3.70 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 7 K 9.06 4.63 0.00 1.49 1.07 0.00 1.60 0.00 0.00 1.47 0.00 0.00 2.78 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.26 1.33 7.81 8 W 8.65 4.76 0.00 3.58 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 9 Y 7.96 4.27 0.00 2.86 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 10 K 8.34 4.22 0.00 1.66 1.56 0.00 1.16 0.00 0.00 1.36 0.00 0.00 2.13 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.82 0.21 7.81 11 K 8.41 4.55 0.00 1.89 1.71 0.00 2.02 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.46 7.81 12 D 8.57 4.54 0.00 2.57 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 G 8.74 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 0.00 0.00 0.00 0.00 14 A 8.76 4.44 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 15 S 8.66 4.26 0.00 4.01 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 16 S 8.74 4.07 0.00 4.05 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 0.00 17 A 7.98 3.99 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 18 S 7.99 4.08 0.00 4.17 4.14 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 19 I 7.42 3.76 1.98 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.97 0.86 0.00 0.00 20 D 8.30 4.34 0.00 2.84 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 21 D 8.36 4.33 0.00 2.91 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 22 V 7.45 3.61 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 0.98 0.00 0.00 0.97 0.00 0.00 23 E 8.25 3.98 0.00 2.18 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 2.29 2.49 0.00 24 K 8.06 3.97 0.00 1.86 1.86 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.70 7.81 25 L 7.74 4.13 0.00 1.77 1.74 0.93 1.08 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 26 L 7.82 4.23 0.00 1.42 1.45 -0.08 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 27 N 7.76 4.11 0.00 2.82 2.83 0.00 0.00 6.87 7.47 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 28 T 7.45 4.54 4.21 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 1.05 0.00 0.00 29 T 8.05 4.64 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 1.20 0.00 0.00 30 L 8.93 4.35 0.00 1.66 1.82 1.01 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 31 P 0.00 4.46 0.00 2.18 2.15 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 2.08 2.19 0.00 32 K 8.67 3.97 0.00 1.89 1.86 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.53 1.11 7.81 33 Q 8.04 4.00 0.00 2.18 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.91 0.00 0.00 0.00 0.00 0.00 2.52 2.44 0.00 34 Y 7.79 3.14 0.00 2.57 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 35 K 7.94 3.66 0.00 1.94 1.76 0.00 1.68 0.00 0.00 1.76 0.00 0.00 3.17 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.63 7.81 36 S 8.19 4.07 0.00 3.99 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 37 F 8.07 4.08 0.00 3.07 2.81 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 38 L 7.82 4.50 0.00 1.66 1.59 0.23 0.38 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 39 L 8.16 4.20 0.00 1.83 1.72 0.90 0.82 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 40 W 7.36 4.44 0.00 3.10 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 41 S 7.96 4.73 0.00 2.81 3.23 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 0.00 42 N 8.67 4.80 0.00 2.76 2.83 0.00 0.00 7.35 7.59 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 43 G 7.68 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 44 G 7.17 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 0.00 0.00 0.00 0.00 45 E 7.16 4.59 0.00 1.93 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 2.05 2.44 0.00 46 G 8.09 4.15 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 0.00 0.00 0.00 47 K 8.76 4.81 0.00 1.75 1.60 0.00 1.48 0.00 0.00 1.53 0.00 0.00 2.82 0.00 0.00 2.31 0.00 0.00 0.00 0.00 1.11 0.29 7.81 48 L 8.86 4.62 0.00 1.44 1.42 0.69 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 49 G 8.64 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 0.00 0.00 0.00 50 D 8.61 4.42 0.00 2.56 2.64 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 51 N 7.98 4.75 0.00 2.70 2.82 0.00 0.00 6.99 8.33 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 52 Y 8.45 4.73 0.00 3.02 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 53 I 8.69 4.82 2.08 0.00 0.00 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 1.21 0.78 1.05 0.00 0.00 54 Y 9.02 5.04 0.00 3.00 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 55 I 9.15 4.78 2.57 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.51 1.45 0.00 0.00 56 W 8.78 5.23 0.00 3.68 3.31 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 57 A 9.09 4.61 1.53 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 0.00 0.00 58 I 9.19 3.87 1.91 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 1.53 1.26 0.99 0.00 0.00 59 E 8.34 4.21 0.00 2.03 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 2.35 2.50 0.00 60 D 8.34 4.81 0.00 3.08 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 61 V 7.88 4.12 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 1.52 0.00 0.00 62 I 7.99 4.12 1.98 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 1.70 0.66 1.07 0.00 0.00 63 A 7.98 3.99 1.17 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 0.00 0.00 0.00 64 Y 7.87 3.75 0.00 2.61 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 0.00 0.00 0.00 65 N 8.61 4.56 0.00 3.26 2.96 0.00 0.00 6.71 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 66 H 8.50 4.16 0.00 3.30 3.46 0.00 5.78 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 67 D 8.06 4.15 0.00 2.54 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 68 Y 8.00 4.53 0.00 3.10 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 69 G 7.96 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 0.00 0.00 0.00 70 I 7.96 3.73 1.81 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 1.57 1.21 0.86 0.00 0.00 71 Q 7.72 3.98 0.00 1.82 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.05 0.00 0.00 0.00 0.00 0.00 1.87 1.83 0.00 72 K 8.06 3.89 0.00 1.53 1.83 0.00 1.41 0.00 0.00 1.50 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.30 1.02 7.81 73 Y 7.80 4.45 0.00 3.09 2.92 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 74 L 8.20 4.33 0.00 1.66 0.71 0.65 0.89 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 75 Q 8.86 4.68 0.00 2.41 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.85 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 76 K 8.76 4.02 0.00 2.28 2.05 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.71 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.41 1.05 7.81 77 E 8.26 4.39 0.00 1.92 1.95 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 2.38 2.43 0.00 78 Y 7.84 5.33 0.00 2.74 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 79 W 9.49 5.07 0.00 3.39 3.36 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 80 A 9.65 4.78 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 81 F 8.38 5.00 0.00 3.26 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 82 G 5.72 3.07 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 *84 D 7.98 4.82 0.00 3.36 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 85 G 8.10 3.83 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 0.00 0.00 0.00 86 D 8.82 4.39 0.00 2.68 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 87 I 7.56 4.43 1.82 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.70 0.31 0.00 0.00 88 G 8.72 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 0.00 0.00 0.00 89 Y 8.04 4.79 0.00 2.10 1.64 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 90 I 8.67 5.16 1.98 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.86 1.08 0.00 0.00 91 L 9.52 5.41 0.00 1.73 1.79 1.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 92 H 9.05 5.13 0.00 3.42 3.46 0.00 5.61 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 L 9.22 4.20 0.00 1.55 1.73 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 94 S 7.89 4.34 0.00 3.87 3.85 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 95 D 7.40 4.63 0.00 2.77 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 96 N 8.77 4.49 0.00 3.00 3.07 0.00 0.00 6.75 6.62 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 97 S 8.28 4.80 0.00 3.91 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 0.00 98 I 8.26 5.04 1.47 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.88 0.34 0.00 0.00 99 Y 9.27 5.03 0.00 2.85 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 0.00 100 R 9.07 4.84 0.00 1.56 1.65 0.00 3.01 0.00 0.00 3.04 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.37 0.00 101 V 8.26 4.62 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 0.54 0.00 0.00 0.74 0.00 0.00 102 D 8.34 4.95 0.00 2.64 2.45 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 0.00 103 L 9.11 3.84 0.00 1.57 1.58 0.45 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 104 G 8.32 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 0.00 0.00 0.00 105 D 7.65 4.55 0.00 2.49 2.45 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 0.00 106 L 7.21 4.01 0.00 1.24 1.51 0.95 0.95 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 0.00 107 D 8.21 4.43 0.00 2.57 2.39 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 0.00 108 I 8.48 3.39 1.77 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.93 0.87 0.00 0.00 109 T 8.94 4.11 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 1.22 0.00 0.00 110 S 7.90 4.66 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 0.00 111 I 7.14 3.80 1.59 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.53 0.60 0.00 0.00 112 K 8.95 4.66 0.00 1.92 1.83 0.00 1.75 0.00 0.00 1.57 0.00 0.00 2.71 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.32 1.21 7.81 113 Y 8.94 3.83 0.00 2.93 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 0.00 114 I 7.58 4.36 1.50 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.43 0.72 0.00 0.00 115 A 6.19 4.45 1.17 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 0.00 0.00 0.00 116 P 0.00 4.51 0.00 2.25 2.32 0.00 4.09 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 2.06 2.01 0.00 117 S 7.21 5.10 0.00 4.13 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 0.00 118 F 8.58 3.86 0.00 3.03 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 0.00 119 D 8.96 4.34 0.00 2.84 2.69 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 0.00 120 D 7.83 4.28 0.00 2.68 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 0.00 121 F 8.17 4.13 0.00 2.78 2.97 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 0.00 122 L 7.38 3.41 0.00 1.52 1.36 0.60 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 123 G 7.97 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 0.00 124 K 8.28 3.54 0.00 2.03 1.83 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.13 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.70 7.81 125 A 7.27 3.21 1.02 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 0.00 126 I 7.36 3.79 2.02 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.81 0.89 0.00 0.00 127 Y 7.82 4.75 0.00 2.93 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 0.00 128 L 7.13 4.30 0.00 1.14 1.28 0.33 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 129 N 8.39 4.46 0.00 2.62 2.64 0.00 0.00 7.20 7.71 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 0.00 130 F 8.80 4.57 0.00 3.22 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 0.00 131 N 8.71 4.61 0.00 2.97 2.90 0.00 0.00 7.13 7.29 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 0.00 132 K 8.02 4.27 0.00 1.86 1.77 0.00 1.83 0.00 0.00 2.01 0.00 0.00 3.11 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.42 7.81 * Residues marked with a * may have inaccurate shift predictions.