NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3982 8.3301 115.4136 58.1383 63.8597 173.6649 2 A 4.2333 7.9650 119.7464 51.6734 21.1146 176.5976 3 A 3.9219 8.4350 117.0781 55.1778 19.6433 177.6984 4 A 3.7960 8.1688 117.6639 55.6916 18.3484 179.5696 5 A 3.9933 7.9587 118.7566 55.0907 17.9310 180.0197 6 L 3.9219 8.8902 118.7805 58.1542 41.7443 179.7884 7 R 4.1316 7.9994 117.4511 59.4165 29.8901 178.7428 8 D 4.2024 8.1163 118.6351 57.2658 40.5436 178.9014 9 Q 3.9542 7.9971 118.5348 58.8755 28.8110 178.2572 10 L 4.0255 9.0468 121.9826 58.6846 42.0725 179.1886 11 T 3.9063 8.8499 116.4790 66.4088 68.1122 176.5560 12 A 3.9529 7.9328 122.0679 55.1678 18.8169 178.8278 13 L 4.0027 9.4540 118.6494 58.6106 42.0915 178.9102 14 L 4.0666 8.6536 118.7375 58.4282 41.5106 180.0413 15 S 4.2736 8.4161 113.9321 61.7990 62.9206 176.0550 16 S 4.1654 9.0422 117.9305 61.3858 62.5696 177.2561 17 M 3.4383 7.3058 121.2075 57.1483 32.2691 179.1772 18 F 3.9459 8.2770 117.8319 60.3635 38.9859 177.9569 19 S 4.3273 8.3501 112.7336 60.4346 62.8889 175.4140 20 Q 4.4748 7.8784 119.6927 54.9472 29.0000 176.1500 21 G 3.9084 7.9543 107.9214 45.7386 0.0000 175.1572 22 L 3.9749 7.5666 120.8198 56.7904 41.8028 177.4850 23 V 5.1366 7.0239 108.4848 58.2283 35.5918 174.0694 24 D 5.1801 7.7652 120.4728 51.0540 42.2212 175.7467 25 E 4.1937 9.1040 116.0660 60.3413 28.9691 178.9851 26 Q 4.1140 8.8186 119.4522 58.7163 28.7082 178.1801 27 F 4.2166 8.6053 121.9712 61.1366 39.4177 176.7129 28 Q 4.7948 8.5124 120.1663 58.9951 28.6931 178.4374 29 Q 4.0386 8.4646 119.1332 58.9772 28.6288 178.9956 30 L 4.0882 7.7445 119.8971 57.9268 41.6054 179.5659 31 Q 3.9030 7.7530 117.8724 59.0823 28.6792 178.6087 32 M 3.9891 8.2392 120.0379 58.5173 31.8309 178.4186 33 L 3.8172 8.4423 118.5144 58.2712 41.9793 179.0150 34 Q 4.0965 8.2750 118.1362 58.4827 30.1992 177.8056 35 D 4.5864 7.4233 120.8006 52.4890 38.7662 176.5011 *39 T 4.1934 7.5702 118.4821 60.9393 68.9486 173.5837 40 P 4.4047 0.0000 0.0000 64.6221 31.9691 176.9593 41 G 4.0675 7.9653 106.9849 45.2034 0.0000 174.4341 42 F 4.2311 8.3508 123.4378 61.5149 39.2251 177.3905 43 V 3.2068 7.8771 116.8723 66.1560 31.3059 177.9231 44 S 4.0771 7.9887 114.2068 61.6771 62.6362 176.4720 45 E 3.9210 8.0212 121.0644 59.1681 29.1121 179.4612 46 V 3.3759 7.4906 118.3954 65.9626 31.4498 178.3494 47 V 3.2563 7.6822 117.9607 65.9345 31.2102 178.1385 48 T 3.7807 7.7876 115.6830 66.3369 68.2440 176.3713 49 L 3.8729 8.0229 122.2056 58.1141 42.1572 178.4337 50 F 4.1859 8.3741 120.8843 61.6589 39.1250 176.1855 51 C 3.9957 8.4262 118.4133 63.0479 31.2270 175.5433 52 D 4.2939 7.8952 119.3157 57.5825 40.5299 178.4750 53 D 4.3101 8.5263 118.4452 56.8111 41.2006 178.2938 54 A 3.5342 7.8712 121.9944 55.1175 18.2547 179.1956 55 D 3.7293 7.2714 116.4903 56.9007 41.1007 178.2760 56 R 3.7558 7.7418 119.5489 59.4719 29.9625 178.6279 57 I 3.4966 7.3760 119.1489 64.2004 36.9982 178.3712 58 I 3.5594 7.2860 120.1830 64.4791 36.8254 178.2523 59 N 4.2579 8.2210 117.3937 56.3225 38.3824 177.3192 60 E 3.6707 8.1359 120.2679 59.3560 29.3173 179.5805 61 I 3.5608 7.7369 119.9154 64.1488 36.9055 178.2895 62 A 3.9654 7.9553 121.1421 55.4502 18.3163 179.5513 63 T 3.9225 7.9994 114.5105 66.7175 68.3684 176.9804 64 L 3.9455 7.8229 120.9197 57.6479 41.4513 179.0913 65 L 4.1104 7.9307 116.7527 56.1143 41.8082 177.9709 66 E 4.3545 7.4469 117.4879 55.6534 30.2754 176.2646 67 Q 4.2662 7.0515 118.8399 54.6210 29.7204 174.2205 68 P 4.3281 0.0000 0.0000 65.0154 31.5191 176.9678 69 V 4.3248 7.5616 116.3756 60.7516 33.2312 174.5849 70 V 3.8097 8.3436 127.1327 62.0947 32.3704 176.2223 71 N 4.6946 8.1728 125.8346 52.4925 37.6176 175.1698 72 F 4.1699 8.4841 124.7433 59.3140 39.4721 176.4953 73 D 4.4198 8.2756 118.9533 57.3095 40.6862 178.3292 74 K 3.9833 8.3633 120.0278 58.9961 32.1027 179.1419 75 V 3.6027 7.8069 118.8450 65.9264 31.4757 177.3728 76 D 4.3160 8.3023 117.5627 57.3519 41.0419 178.0974 77 A 3.9072 7.8104 120.6990 55.5066 18.3836 179.2694 78 Y 3.9441 8.2205 115.6341 61.1169 37.8046 178.9320 79 V 3.4183 8.0247 119.5900 66.1838 31.5640 177.6356 80 H 4.1351 8.4171 118.1145 59.0639 29.6150 177.1027 81 Q 3.9522 8.1474 121.7067 59.0077 28.9133 177.9000 82 L 4.0717 8.0823 122.8494 57.2818 42.0717 178.8376 83 K 4.0443 8.3320 120.2516 59.3303 31.9931 179.1237 84 G 3.5404 8.0409 106.3159 47.7725 0.0000 175.8674 85 S 4.2441 8.3607 117.0735 61.2579 62.9711 176.8914 86 S 3.9409 8.4090 118.5090 61.1253 62.3851 176.2739 87 A 3.8618 7.5977 122.1607 55.5255 18.2359 179.5942 88 S 4.1789 7.5857 112.0157 61.2138 62.9564 176.4928 89 V 4.1499 7.3957 112.4143 60.9210 32.1483 176.9506 90 G 3.8547 7.9762 107.5786 45.4128 0.0000 173.4409 91 A 4.6017 7.6285 124.4933 49.9990 17.2240 178.1515 92 Q 3.6546 8.0579 122.5066 59.1312 28.9475 178.9359 93 K 4.1004 7.9047 120.1196 59.2742 32.1917 179.0833 94 V 3.6519 7.8064 118.0812 65.9099 31.1657 177.6982 95 K 3.8120 7.3690 117.7155 59.7680 32.4613 178.5691 96 F 4.6023 8.0350 118.0321 60.6742 38.7428 178.0122 97 T 4.0284 8.7326 116.0635 66.8476 67.7787 176.4140 98 C 4.4223 8.6372 119.0216 63.0498 27.8573 175.4121 99 M 4.5714 7.7523 116.5133 56.0747 31.1988 176.9636 100 Q 4.4745 8.3182 121.0640 56.3928 30.9170 177.3372 101 F 4.3826 8.0513 117.9658 60.6840 38.8539 177.3345 102 R 4.0336 8.3267 117.1990 59.5351 29.6511 178.2638 103 Q 4.0439 7.4482 117.1157 59.3998 29.1552 178.5792 104 F 4.6453 7.7671 117.7549 60.9458 39.1200 176.9865 105 C 4.3971 9.1415 116.7972 63.4669 27.8639 176.3712 106 Q 4.0082 8.8503 120.1404 58.6457 28.6835 176.9327 107 D 4.5364 8.0869 117.6838 52.8602 42.5409 176.1692 108 K 2.4800 7.1399 119.6170 56.9581 30.6850 173.7075 109 S 4.6104 7.0580 113.9245 56.3797 64.6871 173.9094 110 R 4.4949 8.6565 126.0028 57.5085 30.0751 177.0231 111 D 4.5771 7.7458 117.4910 56.6216 42.0019 178.5267 112 G 2.0000 7.4966 106.1522 47.2604 0.0000 175.6354 113 C 4.0199 7.4364 119.0654 62.3597 27.9766 176.2699 114 L 3.9848 7.2630 118.9982 58.1916 41.5816 179.2623 115 M 4.1471 8.6937 119.2399 57.7462 31.8135 178.6050 116 A 3.8492 7.8560 121.7508 55.1302 18.4086 179.4827 117 L 4.2416 8.0979 118.5256 58.1524 42.0827 178.9841 118 A 4.0801 7.7994 120.6430 55.0792 18.2800 179.8088 119 V 3.5747 7.7497 116.3918 65.9620 31.7256 178.1240 120 V 3.7010 7.8749 118.1351 66.1413 31.3612 178.1543 121 R 4.1023 8.6972 117.8854 59.5004 29.4726 178.3453 122 N 4.3700 8.6845 116.5226 57.0370 38.5274 177.2124 123 D 4.4121 8.8297 120.0558 57.1048 40.8881 178.7143 124 F 4.1613 8.8452 121.5827 61.6609 39.4195 176.9589 125 Y 3.9017 7.9609 116.0730 60.5701 37.0210 178.0924 126 D 4.2752 7.7483 119.3997 57.3376 40.9799 178.5110 127 L 3.6531 7.4144 120.8634 57.6544 41.9886 178.7439 128 R 3.9704 7.8830 119.2824 59.1821 29.9149 177.7253 129 N 4.2174 7.9862 116.8801 56.9569 38.8643 177.0975 130 K 4.0528 7.6814 118.5507 58.9998 32.0338 179.5927 131 F 4.6281 8.5208 118.8684 60.7660 38.8977 177.4133 132 Q 4.0499 8.6722 117.8832 59.4251 28.5224 179.0542 133 T 4.2341 7.6666 117.3223 66.2935 68.5653 175.8715 134 M 4.0219 7.8291 119.6324 58.9478 32.1685 178.0824 135 L 3.9998 8.0742 118.7441 57.9880 41.6746 179.6206 136 Q 3.9974 8.1527 117.7190 59.0899 28.4953 178.9452 137 L 4.0332 7.9223 118.6332 57.9215 41.4229 179.1929 138 E 4.1293 8.8832 118.8741 59.2523 29.3380 179.2897 139 Q 4.0046 8.3307 119.8730 59.1861 29.0472 177.7357 140 Q 4.2290 7.9618 116.2080 57.4523 28.7042 178.0424 141 I 3.9212 7.2944 120.4538 63.3663 38.4570 176.2565 142 Q 4.4826 7.9831 116.6656 54.1050 29.2791 174.8720 143 A 4.3126 7.8051 123.6208 52.1989 19.2313 177.3176 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 1 S 8.33 4.40 0.00 4.00 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 2 A 7.96 4.23 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 3 A 8.43 3.92 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 4 A 8.17 3.80 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 5 A 7.96 3.99 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.89 3.92 0.00 1.76 1.74 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 7 R 8.00 4.13 0.00 1.86 2.00 0.00 3.14 0.00 0.00 3.35 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.74 0.00 8 D 8.12 4.20 0.00 3.04 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 9 Q 8.00 3.95 0.00 2.30 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.78 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 10 L 9.05 4.03 0.00 1.83 1.93 0.99 0.93 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 11 T 8.85 3.91 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 1.23 0.00 0.00 12 A 7.93 3.95 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 13 L 9.45 4.00 0.00 1.79 1.96 0.96 0.66 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 14 L 8.65 4.07 0.00 1.91 1.92 1.03 1.23 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 15 S 8.42 4.27 0.00 4.11 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 16 S 9.04 4.17 0.00 3.99 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 0.00 17 M 7.31 3.44 0.00 1.70 2.26 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.44 0.00 18 F 8.28 3.95 0.00 3.29 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.35 4.33 0.00 4.05 4.05 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 20 Q 7.88 4.47 0.00 1.97 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.11 0.00 0.00 0.00 0.00 0.00 2.27 2.38 0.00 21 G 7.95 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 22 L 7.57 3.97 0.00 1.57 1.42 0.77 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 23 V 7.02 5.14 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.00 0.00 -0.34 0.00 0.00 24 D 7.77 5.18 0.00 2.93 2.94 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 25 E 9.10 4.19 0.00 2.34 2.40 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 2.46 2.59 0.00 26 Q 8.82 4.11 0.00 2.22 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.84 0.00 0.00 0.00 0.00 0.00 2.52 2.65 0.00 27 F 8.61 4.22 0.00 3.32 3.52 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.51 4.79 0.00 2.13 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.65 0.00 0.00 0.00 0.00 0.00 2.40 2.23 0.00 29 Q 8.46 4.04 0.00 2.30 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.74 0.00 30 L 7.74 4.09 0.00 1.55 1.53 0.78 0.94 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 31 Q 7.75 3.90 0.00 2.22 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.77 0.00 0.00 0.00 0.00 0.00 2.19 2.03 0.00 32 M 8.24 3.99 0.00 1.97 2.24 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.89 0.00 33 L 8.44 3.82 0.00 1.90 1.56 0.90 1.05 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 34 Q 8.28 4.10 0.00 2.21 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.25 0.00 0.00 0.00 0.00 0.00 2.42 2.80 0.00 35 D 7.42 4.59 0.00 2.82 2.59 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 *39 T 7.57 4.19 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 1.09 0.00 0.00 40 P 0.00 4.40 0.00 2.23 2.18 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 2.01 1.98 0.00 41 G 7.97 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 42 F 8.35 4.23 0.00 3.14 3.14 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 43 V 7.88 3.21 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 0.93 0.00 0.00 0.90 0.00 0.00 44 S 7.99 4.08 0.00 4.02 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 45 E 8.02 3.92 0.00 2.08 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 2.48 2.47 0.00 46 V 7.49 3.38 1.72 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 0.89 0.00 0.00 -0.00 0.00 0.00 47 V 7.68 3.26 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 -0.30 0.00 0.00 0.66 0.00 0.00 48 T 7.79 3.78 4.35 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 1.19 0.00 0.00 49 L 8.02 3.87 0.00 1.81 1.94 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 50 F 8.37 4.19 0.00 3.13 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 51 C 8.43 4.00 0.00 3.26 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 52 D 7.90 4.29 0.00 2.82 2.67 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 53 D 8.53 4.31 0.00 2.65 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 54 A 7.87 3.53 0.42 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 55 D 7.27 3.73 0.00 2.48 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 56 R 7.74 3.76 0.00 1.93 1.99 0.00 3.12 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 57 I 7.38 3.50 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 1.62 0.68 0.97 0.00 0.00 58 I 7.29 3.56 1.81 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.51 0.88 0.00 0.00 59 N 8.22 4.26 0.00 2.73 2.78 0.00 0.00 7.07 8.47 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 60 E 8.14 3.67 0.00 1.26 1.12 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 2.18 2.14 0.00 61 I 7.74 3.56 1.90 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.46 0.88 0.00 0.00 62 A 7.96 3.97 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 63 T 8.00 3.92 4.28 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 1.16 0.00 0.00 64 L 7.82 3.95 0.00 1.76 1.60 1.06 0.45 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 65 L 7.93 4.11 0.00 1.59 1.69 1.07 0.79 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 66 E 7.45 4.35 0.00 1.98 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 2.27 2.38 0.00 67 Q 7.05 4.27 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.87 0.00 0.00 0.00 0.00 0.00 2.65 2.43 0.00 68 P 0.00 4.33 0.00 2.04 2.14 0.00 3.62 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 69 V 7.56 4.32 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 0.85 0.00 0.00 0.95 0.00 0.00 70 V 8.34 3.81 1.69 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 -0.52 0.00 0.00 0.79 0.00 0.00 71 N 8.17 4.69 0.00 2.78 2.66 0.00 0.00 7.23 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 72 F 8.48 4.17 0.00 3.17 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 73 D 8.28 4.42 0.00 2.98 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 74 K 8.36 3.98 0.00 1.85 1.96 0.00 1.67 0.00 0.00 1.67 0.00 0.00 3.31 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.70 1.37 7.81 75 V 7.81 3.60 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 1.06 0.00 0.00 0.79 0.00 0.00 76 D 8.30 4.32 0.00 3.05 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 77 A 7.81 3.91 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 78 Y 8.22 3.94 0.00 2.91 2.89 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 79 V 8.02 3.42 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 1.05 0.00 0.00 -0.30 0.00 0.00 80 H 8.42 4.14 0.00 3.29 3.44 0.00 5.64 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 8.15 3.95 0.00 2.15 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 82 L 8.08 4.07 0.00 1.87 1.80 0.81 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 83 K 8.33 4.04 0.00 1.96 1.84 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.61 7.81 84 G 8.04 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.36 4.24 0.00 4.45 4.28 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 86 S 8.41 3.94 0.00 4.03 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 87 A 7.60 3.86 1.23 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 0.00 0.00 88 S 7.59 4.18 0.00 3.92 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 89 V 7.40 4.15 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 0.48 0.00 0.00 -0.10 0.00 0.00 90 G 7.98 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 0.00 0.00 0.00 91 A 7.63 4.60 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 92 Q 8.06 3.65 0.00 2.23 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.87 0.00 0.00 0.00 0.00 0.00 2.43 2.55 0.00 93 K 7.90 4.10 0.00 1.83 1.95 0.00 1.79 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.61 1.52 7.81 94 V 7.81 3.65 2.31 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 1.24 0.00 0.00 1.05 0.00 0.00 95 K 7.37 3.81 0.00 1.57 1.48 0.00 1.59 0.00 0.00 1.41 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.04 1.29 7.81 96 F 8.04 4.60 0.00 3.14 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 97 T 8.73 4.03 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 1.31 0.00 0.00 98 C 8.64 4.42 0.00 3.23 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 99 M 7.75 4.57 0.00 2.15 2.49 0.00 0.00 0.00 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.64 0.00 100 Q 8.32 4.47 0.00 2.07 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.41 6.78 0.00 0.00 0.00 0.00 0.00 1.96 2.06 0.00 101 F 8.05 4.38 0.00 3.38 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 0.00 102 R 8.33 4.03 0.00 1.90 2.06 0.00 3.21 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 2.01 1.80 0.00 103 Q 7.45 4.04 0.00 1.87 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.96 0.00 0.00 0.00 0.00 0.00 2.17 2.29 0.00 104 F 7.77 4.65 0.00 3.42 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 0.00 105 C 9.14 4.40 0.00 3.26 3.26 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 0.00 106 Q 8.85 4.01 0.00 2.01 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.89 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 107 D 8.09 4.54 0.00 2.96 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 0.00 108 K 7.14 2.48 0.00 1.48 1.41 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.82 0.28 7.81 109 S 7.06 4.61 0.00 3.85 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 0.00 110 R 8.66 4.49 0.00 2.11 1.95 0.00 3.23 0.00 0.00 3.50 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.76 0.00 111 D 7.75 4.58 0.00 2.60 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 0.00 112 G 7.50 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 0.00 0.00 0.00 0.00 0.00 0.00 113 C 7.44 4.02 0.00 3.22 3.28 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 0.00 114 L 7.26 3.98 0.00 1.76 1.69 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 115 M 8.69 4.15 0.00 1.93 2.04 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.50 0.00 116 A 7.86 3.85 0.46 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 0.00 117 L 8.10 4.24 0.00 2.22 1.92 1.09 1.12 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 0.00 118 A 7.80 4.08 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 0.00 119 V 7.75 3.57 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 1.12 0.00 0.00 1.01 0.00 0.00 120 V 7.87 3.70 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 1.01 0.00 0.00 1.29 0.00 0.00 121 R 8.70 4.10 0.00 2.23 2.24 0.00 3.31 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.90 0.00 122 N 8.68 4.37 0.00 2.88 2.95 0.00 0.00 7.12 8.56 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 0.00 123 D 8.83 4.41 0.00 2.71 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 0.00 124 F 8.85 4.16 0.00 2.89 2.94 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 0.00 125 Y 7.96 3.90 0.00 3.13 2.99 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 0.00 126 D 7.75 4.28 0.00 2.74 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 0.00 127 L 7.41 3.65 0.00 1.34 1.27 0.02 0.30 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 0.00 128 R 7.88 3.97 0.00 0.88 1.55 0.00 2.96 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 129 N 7.99 4.22 0.00 2.79 2.98 0.00 0.00 7.17 6.13 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 0.00 130 K 7.68 4.05 0.00 1.61 1.74 0.00 1.69 0.00 0.00 1.61 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.49 7.81 131 F 8.52 4.63 0.00 3.12 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 0.00 132 Q 8.67 4.05 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.75 0.00 0.00 0.00 0.00 0.00 2.65 2.60 0.00 133 T 7.67 4.23 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 1.23 0.00 0.00 134 M 7.83 4.02 0.00 2.33 2.27 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.70 0.00 135 L 8.07 4.00 0.00 1.97 1.72 0.89 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 136 Q 8.15 4.00 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.68 0.00 137 L 7.92 4.03 0.00 1.79 1.76 0.94 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 138 E 8.88 4.13 0.00 2.08 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 2.47 2.51 0.00 139 Q 8.33 4.00 0.00 2.18 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.87 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 140 Q 7.96 4.23 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.76 0.00 0.00 0.00 0.00 0.00 2.41 2.56 0.00 141 I 7.29 3.92 1.96 0.00 0.00 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 1.54 0.72 0.92 0.00 0.00 142 Q 7.98 4.48 0.00 2.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.78 0.00 0.00 0.00 0.00 0.00 2.29 2.43 0.00 143 A 7.81 4.31 1.23 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.