NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 K 4.5292 8.1727 124.0593 55.4315 34.3322 174.2093 9 Y 4.3649 9.1624 127.2000 55.1554 39.5066 172.1539 10 I 4.7815 8.6261 128.6173 59.9256 39.9653 174.6826 11 V 4.6420 9.3568 127.2505 61.4059 33.6785 174.1819 12 I 4.8047 8.7445 130.4137 59.8887 39.2746 174.8714 13 F 4.7540 10.0076 127.3441 57.2549 40.9865 173.7137 14 G 3.8330 10.1047 117.2123 46.3053 0.0000 173.1493 15 C 4.7722 9.2597 129.6751 58.9914 32.3290 174.5395 16 G 4.0117 7.6787 108.2957 44.2253 0.0000 172.2958 17 R 3.9389 8.9067 119.9474 61.0046 30.3700 178.9341 18 L 4.3243 7.8652 120.9229 59.9058 41.3144 180.7199 19 G 4.4775 8.7122 107.0163 47.7712 0.0000 175.3438 20 S 4.1068 8.8083 116.7466 60.5306 62.9835 176.7439 21 L 3.9077 7.4723 121.2683 57.6809 41.2922 179.4580 22 I 3.3404 7.4910 119.3416 64.2403 36.9958 178.2219 23 A 3.9506 7.6899 120.9906 55.3131 18.1569 179.3509 24 N 4.4153 8.6161 117.7088 57.0654 38.1771 178.3945 25 L 3.9933 7.8660 123.5044 59.1626 40.9357 181.1663 26 A 4.0746 8.0575 120.8729 55.3311 18.2796 179.7438 27 S 4.0977 8.1854 111.9803 61.5304 62.2770 176.5244 28 S 4.1486 8.0667 115.1870 61.1106 62.9105 175.0156 29 S 4.4073 7.6215 114.6025 58.2858 62.3758 174.2993 30 G 3.8124 7.8217 108.0606 46.7601 0.0000 173.5175 31 H 4.7158 7.6880 115.2764 53.9914 30.7238 175.2078 32 S 4.0665 8.2020 116.0892 57.9523 63.2292 172.9663 33 V 4.6090 7.7653 127.1038 61.0112 34.4585 174.3363 34 V 4.7737 8.4706 125.9206 61.2021 34.6028 174.1548 35 V 4.7523 8.7283 128.6972 61.3979 33.3324 174.2907 36 V 4.9498 8.4131 128.9126 61.5615 33.4233 174.0729 37 D 4.8805 9.2467 126.1076 52.6072 44.4854 175.6776 38 K 4.0313 9.0552 126.1879 58.9361 32.4196 176.5883 39 N 5.0532 8.5745 114.6722 49.8827 40.4933 174.9213 40 E 3.9725 8.8969 123.0685 60.2147 29.3458 179.2040 *41 Y 4.2069 7.9107 119.7070 61.3192 36.8197 180.4752 42 A 4.1491 7.4503 120.2844 55.5770 18.3458 179.1974 43 F 4.5599 8.1353 118.2318 60.3470 38.6879 177.8101 *44 H 4.2880 7.8179 120.2298 60.2434 27.7711 183.5526 45 R 4.3340 7.9919 122.9888 60.3495 29.6157 181.4398 46 L 4.3117 6.9163 117.7020 54.2806 41.4652 182.4451 47 N 4.7542 8.7931 121.6374 51.4189 39.0994 174.7383 48 S 4.1764 8.4857 113.6139 62.1176 62.9949 176.0722 49 E 4.1696 7.7137 123.5930 55.7766 27.4779 174.8467 50 F 4.6405 8.1062 128.9941 58.0955 40.9969 174.7256 51 S 4.1391 7.9755 124.7800 58.8118 62.7253 171.2912 52 G 2.9233 5.7961 104.9760 46.7826 0.0000 172.6652 53 F 5.1988 7.7691 118.2228 55.8836 41.8300 175.4293 54 T 4.8676 8.4646 113.1320 60.6076 71.0744 173.9917 *55 V 4.2871 8.4046 125.9457 59.6677 33.5419 171.7769 56 V 4.6082 8.7185 126.9816 60.1973 32.2186 175.6452 57 G 4.3670 7.9850 118.0850 45.9165 0.0000 171.3863 58 D 4.6593 8.0743 120.4004 53.2342 41.3629 177.0335 59 A 4.3700 8.8056 129.7426 54.2719 18.6909 177.8098 60 A 4.0242 8.3091 118.3600 53.9867 18.6727 178.1202 61 E 4.3206 8.1347 116.4518 56.0749 30.5075 177.8764 62 F 4.5327 9.1443 124.9360 61.6519 39.4277 177.2533 63 E 3.9706 8.4872 116.6379 59.7303 29.5424 179.2528 64 T 4.1271 7.7160 115.0075 66.5902 68.1810 176.8984 65 L 4.1712 8.0076 122.8900 58.3477 41.5188 180.2501 66 K 4.2804 7.9798 126.2316 60.3244 31.4166 182.1597 67 E 4.2747 7.7627 117.2547 60.5505 29.7202 180.8352 68 C 4.4930 7.6921 112.8117 60.2279 29.3276 173.4034 69 G 3.8675 7.8733 109.1362 46.8585 0.0000 175.2494 70 M 4.1423 7.5881 120.5158 58.0196 32.8106 179.8270 71 E 4.0781 8.6512 117.0222 59.2746 29.8180 183.8438 72 K 4.3573 7.5724 117.5625 53.8423 31.8889 177.9739 73 A 4.8534 7.5882 122.6897 52.9259 19.7808 177.9195 74 D 4.7424 9.2406 122.1119 56.4239 42.7359 176.8187 75 M 5.0210 7.9888 116.8764 53.4607 36.5984 174.4428 76 V 4.8468 8.5492 123.0805 61.2050 34.5822 174.1081 77 F 5.2764 9.8738 127.4240 55.9612 40.8536 175.2955 78 A 4.8951 9.4240 128.4655 50.8753 19.0443 176.9520 79 F 5.0351 8.9818 122.8627 58.3089 40.3755 176.1246 80 T 4.3908 8.9732 109.8575 60.7813 69.7328 174.1360 81 N 4.4664 8.5768 117.5054 53.6728 37.9472 174.1440 82 D 4.8959 7.8187 120.0479 52.6309 42.9925 176.1725 83 D 4.4831 8.9471 126.8754 57.8577 41.0397 178.8292 84 S 4.2773 8.3145 115.0072 62.0220 62.8753 176.7821 85 T 3.9319 8.6634 118.4735 66.9319 68.2699 176.2034 86 N 4.4486 8.7509 118.6904 56.4709 38.5135 177.1572 87 F 4.1386 9.5052 122.9985 61.3980 39.5159 176.9321 88 F 3.8758 8.8912 120.5641 61.1706 39.0975 176.9389 89 I 3.4103 8.4105 119.7118 64.5542 36.8718 178.5415 90 S 4.0351 8.0615 115.7330 61.8239 62.6586 176.6904 91 M 3.9765 7.7586 121.4682 58.4081 31.5530 178.5923 92 N 4.3004 7.7421 116.2737 56.1265 38.7269 177.1541 93 A 4.0937 8.1635 124.6992 55.9824 18.6246 180.6529 94 R 3.6552 8.5414 119.1554 61.3964 29.3630 179.7870 95 Y 4.7796 8.2352 114.9000 58.0040 38.7887 176.0726 96 M 4.4946 8.2874 117.8885 55.3383 34.1963 175.9358 97 F 4.5892 8.1953 113.6540 56.4399 41.2061 174.5731 98 N 4.6076 8.4086 117.0345 52.7500 35.8516 174.8406 99 V 3.8745 8.3513 121.2600 62.4043 33.0121 177.4502 100 E 3.9938 9.0340 120.9123 58.5022 30.0599 173.6519 101 N 5.0477 7.7652 119.1839 51.1465 40.4445 174.3932 102 V 4.7975 8.2598 123.6736 59.8435 34.4256 174.3696 103 I 4.9197 8.6234 126.6125 59.2141 39.8698 174.4086 104 A 5.2889 9.3380 128.8062 50.0037 21.9680 175.2130 105 R 4.1607 8.6143 123.5961 55.5695 30.6193 175.8485 106 V 4.2185 8.0369 127.4139 61.5272 33.3469 175.4898 107 Y 3.9839 10.0619 130.5535 60.4930 39.1195 175.2129 108 D 4.1760 8.4451 123.1122 53.1797 41.1156 175.0305 109 P 4.2393 0.0000 0.0000 66.0811 31.0601 179.0557 110 E 4.0277 8.3803 116.5382 60.5607 29.7773 182.8633 111 K 4.4189 8.2270 117.0380 58.9119 32.2657 179.0233 112 I 3.6790 7.4188 123.4787 65.1088 36.9549 178.5524 113 K 3.9599 8.1554 123.5924 60.1351 31.3222 180.4891 114 I 3.9746 7.4757 117.6812 63.0287 37.9933 177.8654 115 F 4.3898 8.4241 118.6498 60.9969 39.0019 177.3714 116 E 4.1589 8.4795 120.0335 59.9074 29.0358 179.5321 117 E 4.2555 8.5310 117.0157 59.5937 29.8535 180.7193 118 N 5.1793 8.2119 113.7842 53.2692 39.3678 174.5843 119 G 3.7055 8.3716 108.4325 47.7159 0.0000 175.4992 120 I 4.4746 7.7359 119.0527 57.9694 37.8182 178.2793 121 K 4.2173 8.4255 128.0842 56.3495 33.2011 176.4377 122 T 5.0166 8.1508 112.8870 59.9836 71.8254 173.3575 123 I 4.3754 9.0216 126.1229 59.9727 39.4801 173.9335 124 C 5.3260 8.6144 128.3268 56.0913 33.1663 172.6508 125 P 4.2550 0.0000 0.0000 66.0275 30.9587 178.3285 126 A 3.9168 7.9013 120.2219 54.8804 18.1055 179.6450 127 V 3.5573 7.6119 115.1445 66.0454 32.1079 177.8187 128 L 4.5661 7.9474 120.2694 57.3554 41.4331 179.3691 129 M 4.2285 8.4257 121.5975 58.9484 31.7538 179.1584 130 I 3.9145 7.5429 119.2999 65.2682 35.5456 179.7143 131 E 4.3034 7.7774 117.4280 59.8100 29.4996 179.6307 132 K 4.0853 8.0861 120.4001 60.0713 32.0683 180.2841 133 V 3.8903 8.2892 121.1284 65.7069 31.5186 180.8693 *134 K 4.3749 7.5059 121.6199 60.3614 31.6542 182.1903 135 E 4.3431 7.9381 122.8072 56.5767 29.3439 176.6841 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 8 K 8.17 4.53 0.00 1.47 1.77 0.00 1.74 0.00 0.00 1.81 0.00 0.00 2.76 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.02 7.81 9 Y 9.16 4.36 0.00 3.06 3.01 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 10 I 8.63 4.78 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 1.11 0.47 1.11 0.00 0.00 11 V 9.36 4.64 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 0.79 0.00 0.00 1.12 0.00 0.00 12 I 8.74 4.80 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 1.23 0.54 0.80 0.00 0.00 13 F 10.01 4.75 0.00 3.32 3.12 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 0.00 0.00 0.00 0.00 14 G 10.10 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 15 C 9.26 4.77 0.00 2.91 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 16 G 7.68 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 17 R 8.91 3.94 0.00 1.80 1.98 0.00 3.20 0.00 0.00 3.24 7.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 18 L 7.87 4.32 0.00 1.65 1.67 0.92 0.84 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 19 G 8.71 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 S 8.81 4.11 0.00 3.94 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 0.00 21 L 7.47 3.91 0.00 2.01 1.69 0.92 0.76 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 22 I 7.49 3.34 1.48 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 0.61 -0.14 0.00 0.00 23 A 7.69 3.95 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 24 N 8.62 4.42 0.00 2.67 2.85 0.00 0.00 7.14 6.31 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 25 L 7.87 3.99 0.00 1.67 1.68 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.06 4.07 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 0.00 0.00 0.00 0.00 0.00 27 S 8.19 4.10 0.00 4.08 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 28 S 8.07 4.15 0.00 4.02 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 29 S 7.62 4.41 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 30 G 7.82 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 0.00 0.00 0.00 31 H 7.69 4.72 0.00 3.15 3.32 0.00 5.65 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 S 8.20 4.07 0.00 3.90 3.53 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 33 V 7.77 4.61 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 0.97 0.00 0.00 0.87 0.00 0.00 34 V 8.47 4.77 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 0.97 0.00 0.00 1.14 0.00 0.00 35 V 8.73 4.75 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 1.00 0.00 0.00 1.05 0.00 0.00 36 V 8.41 4.95 1.68 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 0.97 0.00 0.00 0.16 0.00 0.00 37 D 9.25 4.88 0.00 2.53 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 0.00 0.00 0.00 38 K 9.06 4.03 0.00 2.02 1.83 0.00 1.89 0.00 0.00 1.76 0.00 0.00 2.77 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.43 1.02 7.81 39 N 8.57 5.05 0.00 2.86 2.79 0.00 0.00 6.65 8.31 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 40 E 8.90 3.97 0.00 2.18 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 2.55 2.86 0.00 *41 Y 7.91 4.21 0.00 2.36 2.30 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 42 A 7.45 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 F 8.14 4.56 0.00 3.11 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 *44 H 7.82 4.29 0.00 3.05 2.99 0.00 7.20 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 45 R 7.99 4.33 0.00 1.92 1.88 0.00 3.23 0.00 0.00 3.26 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 46 L 6.92 4.31 0.00 1.63 1.49 0.92 1.49 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 47 N 8.79 4.75 0.00 2.76 2.86 0.00 0.00 7.03 7.24 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 48 S 8.49 4.18 0.00 3.89 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 49 E 7.71 4.17 0.00 2.09 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 2.49 2.39 0.00 50 F 8.11 4.64 0.00 2.86 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 51 S 7.98 4.14 0.00 3.67 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 52 G 5.80 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 0.00 0.00 0.00 53 F 7.77 5.20 0.00 2.96 2.90 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 54 T 8.46 4.87 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 0.70 0.00 0.00 *55 V 8.40 4.29 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 0.70 0.00 0.00 0.93 0.00 0.00 56 V 8.72 4.61 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 0.99 0.00 0.00 1.28 0.00 0.00 57 G 7.99 4.37 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 0.00 58 D 8.07 4.66 0.00 2.73 2.62 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 0.00 0.00 0.00 0.00 59 A 8.81 4.37 1.51 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 0.00 0.00 0.00 0.00 0.00 0.00 60 A 8.31 4.02 1.16 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 0.00 0.00 61 E 8.13 4.32 0.00 2.34 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 2.38 2.29 0.00 62 F 9.14 4.53 0.00 3.24 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 63 E 8.49 3.97 0.00 2.04 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 2.44 2.44 0.00 64 T 7.72 4.13 4.55 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 1.36 0.00 0.00 65 L 8.01 4.17 0.00 1.79 1.57 1.30 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 66 K 7.98 4.28 0.00 1.78 1.82 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.32 7.81 67 E 7.76 4.27 0.00 2.10 1.90 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 2.26 2.22 0.00 68 C 7.69 4.49 0.00 3.05 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 69 G 7.87 3.87 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 0.00 0.00 0.00 70 M 7.59 4.14 0.00 1.88 1.11 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.53 0.00 71 E 8.65 4.08 0.00 1.98 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 2.23 1.89 0.00 72 K 7.57 4.36 0.00 1.72 1.70 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.32 1.24 7.81 73 A 7.59 4.85 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 74 D 9.24 4.74 0.00 2.71 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 75 M 7.99 5.02 0.00 1.77 1.97 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 2.59 2.41 0.00 76 V 8.55 4.85 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 1.29 0.00 0.00 1.02 0.00 0.00 77 F 9.87 5.28 0.00 3.00 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 78 A 9.42 4.90 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 79 F 8.98 5.04 0.00 3.08 3.13 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 0.00 0.00 0.00 80 T 8.97 4.39 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 1.39 0.00 0.00 81 N 8.58 4.47 0.00 2.76 2.93 0.00 0.00 5.80 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 82 D 7.82 4.90 0.00 2.74 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 83 D 8.95 4.48 0.00 2.85 2.90 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 84 S 8.31 4.28 0.00 4.09 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 85 T 8.66 3.93 4.47 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 0.00 0.00 0.00 1.30 0.00 0.00 86 N 8.75 4.45 0.00 3.17 3.07 0.00 0.00 6.76 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 87 F 9.51 4.14 0.00 2.93 3.30 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 88 F 8.89 3.88 0.00 3.24 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 89 I 8.41 3.41 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 1.07 0.57 -0.10 0.00 0.00 90 S 8.06 4.04 0.00 3.98 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 91 M 7.76 3.98 0.00 1.76 1.72 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.59 0.00 92 N 7.74 4.30 0.00 2.68 3.04 0.00 0.00 6.93 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 93 A 8.16 4.09 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 94 R 8.54 3.66 0.00 1.79 1.94 0.00 3.25 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 1.56 1.54 0.00 95 Y 8.24 4.78 0.00 2.95 2.95 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 96 M 8.29 4.49 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.56 0.00 97 F 8.20 4.59 0.00 3.12 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 98 N 8.41 4.61 0.00 2.88 2.97 0.00 0.00 6.44 7.68 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 99 V 8.35 3.87 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 0.65 0.00 0.00 0.99 0.00 0.00 100 E 9.03 3.99 0.00 2.01 1.91 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 2.23 1.90 0.00 101 N 7.77 5.05 0.00 2.90 2.65 0.00 0.00 6.60 7.56 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 0.00 102 V 8.26 4.80 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 0.78 0.00 0.00 0.93 0.00 0.00 103 I 8.62 4.92 1.43 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 1.16 0.80 1.19 0.00 0.00 104 A 9.34 5.29 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 0.00 105 R 8.61 4.16 0.00 0.67 1.07 0.00 2.97 0.00 0.00 2.73 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.22 0.00 106 V 8.04 4.22 1.75 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 0.70 0.00 0.00 -0.29 0.00 0.00 107 Y 10.06 3.98 0.00 2.79 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 0.00 108 D 8.45 4.18 0.00 2.74 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 0.00 109 P 0.00 4.24 0.00 2.12 2.01 0.00 3.49 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 1.97 1.98 0.00 110 E 8.38 4.03 0.00 2.06 1.87 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 2.26 2.22 0.00 111 K 8.23 4.42 0.00 1.99 2.07 0.00 1.93 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.49 7.81 112 I 7.42 3.68 1.93 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 1.38 0.92 0.95 0.00 0.00 113 K 8.16 3.96 0.00 1.76 1.83 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.08 7.81 114 I 7.48 3.97 1.81 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 1.52 1.23 0.65 0.00 0.00 115 F 8.42 4.39 0.00 3.41 3.37 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 0.00 116 E 8.48 4.16 0.00 2.16 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 2.38 2.44 0.00 117 E 8.53 4.26 0.00 2.06 1.86 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 2.26 2.22 0.00 118 N 8.21 5.18 0.00 2.98 3.09 0.00 0.00 6.95 7.75 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 0.00 119 G 8.37 3.71 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 0.00 0.00 0.00 120 I 7.74 4.47 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 1.34 0.86 0.91 0.00 0.00 121 K 8.43 4.22 0.00 1.93 1.81 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.46 1.28 7.81 122 T 8.15 5.02 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 1.13 0.00 0.00 123 I 9.02 4.38 2.03 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 1.11 0.79 1.04 0.00 0.00 124 C 8.61 5.33 0.00 2.88 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 0.00 125 P 0.00 4.26 0.00 2.37 2.35 0.00 3.96 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.18 0.00 126 A 7.90 3.92 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 0.00 127 V 7.61 3.56 2.19 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 0.90 0.00 0.00 0.89 0.00 0.00 128 L 7.95 4.57 0.00 2.02 1.71 1.04 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 129 M 8.43 4.23 0.00 2.02 2.22 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.95 0.00 130 I 7.54 3.91 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 1.52 0.62 0.91 0.00 0.00 131 E 7.78 4.30 0.00 2.21 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 2.33 2.57 0.00 132 K 8.09 4.09 0.00 2.00 1.86 0.00 1.79 0.00 0.00 1.85 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.53 1.07 7.81 133 V 8.29 3.89 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 0.74 0.00 0.00 0.93 0.00 0.00 *134 K 7.51 4.37 0.00 1.80 1.75 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.39 1.35 7.81 135 E 7.94 4.34 0.00 2.11 1.90 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 2.35 2.26 0.00 * Residues marked with a * may have inaccurate shift predictions.