NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.5628 8.1933 115.4154 57.6322 64.5075 174.2723 2 L 4.1862 8.7313 121.5268 57.7806 41.1212 178.5407 3 L 4.0516 8.4732 119.1947 57.9625 41.5165 179.1344 4 E 4.0803 8.0532 117.9312 59.2139 29.4588 178.9406 5 F 4.7395 8.6020 120.8570 61.6291 39.6260 177.3595 6 G 3.5813 8.8466 105.8012 47.7172 0.0000 175.3689 7 K 4.1658 7.9510 121.6306 59.1422 32.2374 178.5878 8 M 4.2387 8.3454 119.0626 58.8210 32.1327 178.2583 9 I 3.6471 7.6477 119.9004 64.2982 37.1649 178.1734 10 L 4.4844 7.5123 120.9480 57.2629 41.6528 178.8181 11 E 4.0540 7.8321 118.2001 59.0403 29.4802 178.5545 12 E 4.2181 8.0531 117.9265 58.9037 29.9372 178.2922 13 T 4.3209 8.3108 108.3844 61.5775 70.0586 176.0259 14 G 3.8135 7.7084 109.1339 45.1659 0.0000 172.9852 *16 K 4.5212 7.5131 117.6152 56.0021 32.3290 174.8907 17 L 4.2202 8.1221 121.2534 54.1731 42.6885 177.5828 18 A 4.0240 8.9545 126.9562 55.4718 18.3373 178.0826 19 I 4.1085 7.5566 114.0595 61.4527 35.9430 174.1655 20 P 4.0148 0.0000 0.0000 64.0605 31.4335 176.8263 21 S 4.3189 7.6026 116.0470 60.6075 62.9142 175.3166 22 Y 4.5884 8.5652 115.0829 57.1571 39.5366 177.4731 23 S 4.0297 7.6498 113.7972 60.8839 63.0202 175.9187 24 S 4.9737 7.6675 116.6494 57.4561 63.3382 172.8859 25 Y 4.3669 7.9027 120.8163 59.1848 39.9613 175.3231 26 G 3.3959 7.7826 116.0476 47.1715 0.0000 173.4333 27 C 4.5578 9.0574 115.9849 57.7593 41.1475 173.8227 28 Y 4.4450 8.1868 114.5840 57.8400 39.9347 175.5336 29 C 4.5520 8.4065 118.1354 57.5185 41.5153 174.9751 30 G 4.1851 8.1949 110.1626 45.5391 0.0000 173.2735 31 W 4.6048 8.8683 121.0636 56.1078 30.4358 176.4424 32 G 4.0362 8.1479 105.4808 48.8698 0.0000 173.3112 33 G 4.5339 7.9887 113.1499 45.3955 0.0000 172.8994 34 K 4.6716 8.0668 118.2424 54.6963 35.4547 176.0006 35 G 3.7944 9.2601 107.3305 45.5270 0.0000 172.9541 36 T 4.3671 7.8593 114.9883 61.4996 68.9490 172.9791 37 P 4.3251 0.0000 0.0000 62.0500 32.0103 176.5817 38 K 3.8858 10.1573 124.7777 58.9045 32.5380 176.2428 39 D 4.4901 7.2602 116.6410 51.5742 41.5351 174.8529 40 A 3.9629 8.8729 119.3256 56.2481 18.9468 179.5390 41 T 4.1167 8.0422 113.7762 67.1452 68.5611 176.0457 42 D 4.5536 9.1312 119.9697 57.5453 41.1257 178.5317 43 R 4.0605 8.1378 118.5204 59.2589 29.8863 178.3835 44 C 4.2739 8.1450 116.2789 59.9772 41.3055 175.3450 45 C 4.2318 8.3238 117.8328 59.8545 37.5864 175.4455 46 F 3.7770 8.2222 122.2243 61.3997 38.9615 177.2632 47 V 3.1019 8.0250 117.7922 66.1932 31.2974 177.5474 48 H 3.8981 8.3463 118.2101 59.0837 29.5939 176.8011 49 D 4.3581 7.9863 120.0237 57.3973 40.8188 177.5993 50 C 4.2181 7.4844 116.4229 59.5996 34.7832 175.0123 51 C 4.3145 7.9274 120.3446 59.9580 39.7327 175.2494 52 Y 4.2277 8.1169 118.5194 60.9726 37.2339 178.5569 53 G 3.7906 8.1195 105.2359 46.4785 0.0000 174.1409 54 N 5.0124 7.6090 117.5671 52.6084 41.0977 175.3298 55 L 4.8211 7.3560 116.1520 52.8954 42.0754 175.2946 56 P 4.1933 0.0000 0.0000 65.4593 32.1628 178.5627 *59 D 4.7212 7.8567 114.7959 53.2598 41.2039 175.4066 *61 C 5.0513 7.5379 116.4306 57.4638 42.4090 172.5244 *67 N 5.4615 7.9570 116.6122 52.4558 38.4324 173.2696 68 P 3.8280 0.0000 0.0000 65.3912 31.5526 178.0240 69 K 4.5003 7.8129 113.4835 57.3852 32.3661 177.6363 70 S 4.5023 7.7134 111.1138 58.8921 65.1664 174.3817 71 D 4.3879 8.2084 120.9339 53.9632 41.3327 175.5369 72 R 4.4409 8.7329 125.5016 54.9096 31.0409 175.2760 73 Y 4.9833 7.8929 119.4590 54.9716 41.4683 174.4677 74 K 4.9286 8.6484 119.5793 54.9771 34.8594 174.9316 75 Y 5.4683 8.2817 121.1766 55.4427 41.4428 173.8416 76 K 4.6771 9.4353 119.4710 55.3119 36.9519 174.8967 77 R 5.1001 8.5969 119.3766 54.6428 31.9968 175.9573 78 V 4.0944 9.1149 125.2441 61.8938 32.8532 175.2304 79 N 4.1154 9.8233 127.8807 54.7713 37.0534 174.6260 80 G 3.9042 8.3059 102.3222 45.5755 0.0000 172.7366 81 A 4.8533 7.9441 122.2233 49.7342 21.8216 176.4343 82 I 4.3718 8.3497 122.5415 61.3463 38.1733 175.7578 83 V 4.3953 9.3741 126.6238 61.2006 34.5271 173.6272 84 C 4.9256 8.9003 126.0634 56.4742 40.5405 173.7122 85 E 4.3768 8.7042 123.7649 55.9789 30.4438 176.9945 86 K 4.7309 7.9546 120.4663 55.5181 33.9015 176.2886 *88 G 4.4512 8.1683 110.9113 45.5160 0.0000 173.5998 89 T 4.2788 8.4571 116.7643 60.6284 71.2263 175.5525 90 S 4.0572 8.5016 114.7302 61.8125 62.1701 176.5852 91 C 4.1858 8.0841 118.4317 60.2599 34.8059 175.6143 92 E 3.8945 8.1626 119.9350 59.7059 28.8873 179.5676 93 N 4.2579 8.0581 116.1474 56.3162 38.8425 177.8035 94 R 3.8701 7.8407 119.4075 59.0018 30.0694 179.2282 95 I 3.5468 7.9650 120.0765 64.4723 37.0860 177.3856 96 C 3.0822 7.3719 118.8711 59.6382 41.0744 175.6360 97 E 3.7326 7.8884 119.7759 59.3213 28.9570 178.7549 98 C 4.1680 7.8532 116.4227 60.1074 41.4777 175.8727 99 D 3.8841 8.0672 120.4696 57.0590 40.3136 178.7635 100 K 3.8289 8.3117 120.3370 59.3627 32.1874 178.7272 101 A 3.8606 7.9262 120.8684 54.9679 18.2199 179.5292 102 A 3.5146 7.8221 118.9798 54.9592 18.5611 179.5450 103 A 3.9080 7.9846 119.2592 55.5500 18.5176 179.7894 104 I 3.6278 7.8101 118.2032 64.6030 37.2469 177.7699 105 C 4.3297 8.0593 119.0806 59.7822 43.2398 175.2906 106 F 4.4397 7.7801 118.3672 60.9358 38.7817 177.4748 107 R 4.0807 7.9697 117.3898 59.8874 29.7303 178.3929 108 Q 4.2316 7.8701 116.1035 58.1838 28.8838 177.6295 109 N 5.0791 7.7444 115.3680 52.8404 39.6063 176.2408 110 L 4.1045 8.4631 122.8334 58.0818 41.6951 178.9990 111 N 4.5876 8.2723 112.9014 54.4398 37.1200 175.0432 112 T 4.5447 7.8060 107.7459 61.1845 69.6762 173.4858 113 Y 3.9296 8.4051 125.7518 58.0649 39.2095 174.5900 114 S 4.8268 8.5737 121.8059 56.0065 64.5422 174.7739 115 K 3.9476 8.7822 127.3895 59.2753 32.0460 178.7448 116 K 3.5786 7.8626 118.7726 58.7777 32.0555 176.2459 117 Y 4.5806 7.4550 114.4793 57.7243 38.7890 175.5926 118 M 4.3358 7.8279 120.6659 56.1534 32.5816 175.7634 119 L 3.6800 8.4786 119.4177 55.8073 39.5141 174.4445 120 Y 4.0993 7.5792 118.5436 56.5048 39.4459 172.9053 121 P 4.1722 0.0000 0.0000 62.7779 31.1529 176.2949 122 D 4.2464 8.7725 124.9690 57.3408 41.1582 179.2096 *124 F 4.8236 8.0312 119.0014 58.2255 40.7495 175.9263 125 L 3.6912 7.7767 118.0761 56.4642 41.4344 176.3015 126 C 4.6383 7.9147 117.1251 55.3925 40.4193 173.1572 127 K 4.5557 8.6526 124.1225 55.5455 34.8725 177.1238 128 G 3.9095 8.9361 108.6754 45.7232 0.0000 171.9685 129 E 4.7387 8.2327 121.3946 53.6479 30.4752 175.6172 130 L 4.0719 8.4413 128.5798 54.6240 42.8020 176.7303 131 K 3.9892 8.4177 124.4398 56.4898 31.6958 177.7008 *133 C 4.7286 8.6287 123.2790 56.8450 44.6875 173.3073 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 8.19 4.56 0.00 4.06 4.17 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 2 L 8.73 4.19 0.00 2.04 2.01 1.56 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.47 4.05 0.00 1.79 1.73 0.97 0.87 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 4 E 8.05 4.08 0.00 1.79 1.97 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 1.75 2.33 0.00 5 F 8.60 4.74 0.00 3.42 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 6 G 8.85 3.58 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 0.00 0.00 0.00 7 K 7.95 4.17 0.00 1.86 2.17 0.00 1.69 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.66 1.54 7.81 8 M 8.35 4.24 0.00 2.18 2.37 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.43 0.00 9 I 7.65 3.65 1.78 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 1.27 0.16 0.49 0.00 0.00 10 L 7.51 4.48 0.00 1.88 1.66 0.94 0.84 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 11 E 7.83 4.05 0.00 2.14 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 2.41 2.77 0.00 12 E 8.05 4.22 0.00 1.98 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 2.44 2.45 0.00 13 T 8.31 4.32 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 1.24 0.00 0.00 14 G 7.71 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 *16 K 7.51 4.52 0.00 1.86 1.66 0.00 1.46 0.00 0.00 1.13 0.00 0.00 2.59 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.23 1.28 7.81 17 L 8.12 4.22 0.00 1.83 1.58 0.91 0.81 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 18 A 8.95 4.02 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 19 I 7.56 4.11 1.89 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.89 0.93 0.00 0.00 20 P 0.00 4.01 0.00 2.27 1.99 0.00 3.62 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 2.03 2.09 0.00 21 S 7.60 4.32 0.00 4.00 3.25 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 22 Y 8.57 4.59 0.00 2.79 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 23 S 7.65 4.03 0.00 4.03 4.17 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 24 S 7.67 4.97 0.00 3.85 4.10 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 25 Y 7.90 4.37 0.00 3.01 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 26 G 7.78 3.40 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 0.00 0.00 0.00 0.00 27 C 9.06 4.56 0.00 2.77 2.85 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 28 Y 8.19 4.45 0.00 3.08 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 29 C 8.41 4.55 0.00 3.55 3.40 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 0.00 30 G 8.19 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 0.00 0.00 0.00 31 W 8.87 4.60 0.00 3.58 3.16 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 32 G 8.15 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 33 G 7.99 4.53 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 0.00 34 K 8.07 4.67 0.00 1.67 1.80 0.00 1.78 0.00 0.00 1.75 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.41 7.81 35 G 9.26 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 0.00 0.00 0.00 36 T 7.86 4.37 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 1.15 0.00 0.00 37 P 0.00 4.33 0.00 1.91 1.97 0.00 3.47 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 1.38 1.92 0.00 38 K 10.16 3.89 0.00 0.79 0.74 0.00 1.56 0.00 0.00 1.39 0.00 0.00 2.78 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.00 0.21 7.81 39 D 7.26 4.49 0.00 2.88 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 40 A 8.87 3.96 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 41 T 8.04 4.12 4.13 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 0.95 0.00 0.00 42 D 9.13 4.55 0.00 2.95 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 43 R 8.14 4.06 0.00 2.13 2.01 0.00 3.17 0.00 0.00 3.12 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.78 0.00 44 C 8.15 4.27 0.00 3.15 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 45 C 8.32 4.23 0.00 3.34 3.42 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 46 F 8.22 3.78 0.00 2.64 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 47 V 8.03 3.10 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 0.80 0.00 0.00 0.99 0.00 0.00 48 H 8.35 3.90 0.00 3.06 3.30 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 49 D 7.99 4.36 0.00 3.00 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 50 C 7.48 4.22 0.00 2.81 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 51 C 7.93 4.31 0.00 3.03 3.08 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 52 Y 8.12 4.23 0.00 3.00 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 53 G 8.12 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 0.00 0.00 0.00 54 N 7.61 5.01 0.00 2.83 2.79 0.00 0.00 6.72 7.14 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 55 L 7.36 4.82 0.00 1.58 1.47 0.97 0.81 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 56 P 0.00 4.19 0.00 2.16 2.09 0.00 3.72 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.06 0.00 *59 D 7.86 4.72 0.00 2.82 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 *61 C 7.54 5.05 0.00 2.93 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 *67 N 7.96 5.46 0.00 2.74 2.77 0.00 0.00 7.59 8.03 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 68 P 0.00 3.83 0.00 1.34 0.52 0.00 3.66 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.00 69 K 7.81 4.50 0.00 1.67 1.83 0.00 1.25 0.00 0.00 0.83 0.00 0.00 2.18 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.64 1.35 7.81 70 S 7.71 4.50 0.00 3.91 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 71 D 8.21 4.39 0.00 2.65 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.73 4.44 0.00 1.83 1.78 0.00 3.38 0.00 0.00 3.39 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.50 0.00 73 Y 7.89 4.98 0.00 3.00 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 74 K 8.65 4.93 0.00 1.78 1.79 0.00 1.65 0.00 0.00 1.88 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.40 7.81 75 Y 8.28 5.47 0.00 3.16 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 76 K 9.44 4.68 0.00 1.78 1.89 0.00 1.28 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.43 7.81 77 R 8.60 5.10 0.00 1.75 1.96 0.00 3.53 0.00 0.00 3.24 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.79 0.00 78 V 9.11 4.09 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 1.00 0.00 0.00 0.96 0.00 0.00 79 N 9.82 4.12 0.00 2.82 2.81 0.00 0.00 7.26 7.98 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 80 G 8.31 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 0.00 0.00 0.00 81 A 7.94 4.85 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 82 I 8.35 4.37 1.83 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 1.23 0.58 0.74 0.00 0.00 83 V 9.37 4.40 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 1.10 0.00 0.00 1.01 0.00 0.00 84 C 8.90 4.93 0.00 2.98 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 85 E 8.70 4.38 0.00 2.09 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 2.42 2.59 0.00 86 K 7.95 4.73 0.00 1.79 1.72 0.00 1.99 0.00 0.00 1.79 0.00 0.00 2.89 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.52 1.34 7.81 *88 G 8.17 4.45 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 0.00 0.00 0.00 89 T 8.46 4.28 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 1.22 0.00 0.00 90 S 8.50 4.06 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 91 C 8.08 4.19 0.00 2.99 3.08 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 92 E 8.16 3.89 0.00 2.07 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 2.53 2.41 0.00 93 N 8.06 4.26 0.00 2.94 2.79 0.00 0.00 6.94 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 94 R 7.84 3.87 0.00 1.81 1.90 0.00 3.08 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 95 I 7.97 3.55 1.81 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 1.19 0.74 0.92 0.00 0.00 96 C 7.37 3.08 0.00 1.80 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 97 E 7.89 3.73 0.00 2.08 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 2.48 2.41 0.00 98 C 7.85 4.17 0.00 3.25 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 99 D 8.07 3.88 0.00 2.91 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 0.00 100 K 8.31 3.83 0.00 1.65 1.88 0.00 1.56 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.38 7.81 101 A 7.93 3.86 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 0.00 102 A 7.82 3.51 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 0.00 103 A 7.98 3.91 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 0.00 104 I 7.81 3.63 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 1.38 0.71 0.89 0.00 0.00 105 C 8.06 4.33 0.00 2.90 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 0.00 106 F 7.78 4.44 0.00 3.12 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 0.00 107 R 7.97 4.08 0.00 1.95 2.14 0.00 3.14 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 108 Q 7.87 4.23 0.00 2.21 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.02 0.00 0.00 0.00 0.00 0.00 2.41 2.68 0.00 109 N 7.74 5.08 0.00 2.83 2.83 0.00 0.00 6.83 6.63 0.00 0.00 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 L 8.46 4.10 0.00 1.83 1.76 0.99 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 111 N 8.27 4.59 0.00 2.86 2.98 0.00 0.00 5.79 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 0.00 112 T 7.81 4.54 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 1.26 0.00 0.00 113 Y 8.41 3.93 0.00 3.03 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 0.00 114 S 8.57 4.83 0.00 3.85 3.62 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 0.00 115 K 8.78 3.95 0.00 1.81 1.87 0.00 2.02 0.00 0.00 1.91 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.63 1.43 7.81 116 K 7.86 3.58 0.00 1.44 1.38 0.00 1.43 0.00 0.00 1.47 0.00 0.00 2.77 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.46 1.15 7.81 117 Y 7.45 4.58 0.00 1.81 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 0.00 0.00 0.00 0.00 118 M 7.83 4.34 0.00 2.02 2.09 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.69 0.00 119 L 8.48 3.68 0.00 1.78 1.74 0.93 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 0.00 120 Y 7.58 4.10 0.00 3.08 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 0.00 121 P 0.00 4.17 0.00 1.87 1.93 0.00 2.65 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 1.90 1.97 0.00 122 D 8.77 4.25 0.00 2.74 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 *124 F 8.03 4.82 0.00 2.90 3.08 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 0.00 125 L 7.78 3.69 0.00 1.51 1.66 0.69 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 126 C 7.91 4.64 0.00 2.94 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 0.00 127 K 8.65 4.56 0.00 1.63 1.61 0.00 1.38 0.00 0.00 1.58 0.00 0.00 2.97 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.13 1.16 7.81 128 G 8.94 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 0.00 129 E 8.23 4.74 0.00 1.98 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 2.25 2.39 0.00 130 L 8.44 4.07 0.00 1.70 1.63 0.84 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 131 K 8.42 3.99 0.00 1.82 1.82 0.00 1.88 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.47 1.39 7.81 *133 C 8.63 4.73 0.00 2.94 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 * Residues marked with a * may have inaccurate shift predictions.