NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 M 4.4219 8.3044 118.1861 55.0308 32.5835 176.3198 5 K 4.1625 8.7206 118.2351 57.3403 33.8997 174.6039 6 H 4.1650 8.7305 117.2762 58.7983 28.9657 177.3344 7 T 3.8967 7.7807 117.5138 66.4046 68.2522 176.4831 8 E 3.8806 8.0040 119.9653 59.6349 29.1605 178.5545 9 L 3.8873 7.8660 118.7073 58.3668 41.6606 179.7511 10 R 3.9052 8.2410 116.9052 59.3894 30.1675 178.7758 11 A 3.9248 8.2232 120.1782 55.2648 18.4580 179.1687 12 A 3.8670 8.5800 119.5896 55.7275 18.3632 180.1547 13 V 3.5539 7.4653 115.4639 65.9962 31.6333 178.2220 14 L 3.9913 8.0455 118.9217 57.9707 41.2471 179.2688 15 D 4.3045 8.7874 118.7223 56.7411 40.4237 178.8117 16 A 3.8847 7.4945 120.8343 55.1255 18.6122 179.2829 17 L 4.2909 8.0147 117.3555 56.9361 41.8871 179.6855 18 E 3.7009 7.4031 118.4699 60.2616 30.9908 184.3158 19 K 4.2991 6.9487 120.7324 55.4937 29.9910 176.2043 *22 T 4.0624 7.6276 113.3707 61.6517 67.9585 174.4401 23 G 3.9849 8.3810 120.9586 45.1962 0.0000 169.4183 24 A 4.9403 7.7533 119.4038 50.4721 23.2143 177.2484 25 T 4.4512 8.4236 115.9489 62.3224 69.9481 174.6396 26 F 5.1587 8.9445 125.4815 56.5718 40.9836 175.4271 27 F 4.6959 9.3163 120.3045 55.9603 42.5359 174.0704 28 D 5.0931 8.9372 124.5135 53.1619 40.0801 174.7511 29 G 3.9886 9.4976 111.1182 44.6470 0.0000 170.9920 30 R 3.2015 8.0136 123.1901 55.7040 29.8670 174.1703 31 P 4.0036 0.0000 0.0000 62.5359 31.5025 174.5608 32 A 4.1725 7.6102 121.1619 53.3611 21.2569 177.5854 33 V 4.2175 6.9295 112.1971 58.7874 33.9038 177.5467 34 F 4.7847 8.5140 121.6187 56.5291 41.6214 175.4562 35 D 4.7699 8.4980 124.6609 51.6335 39.6258 174.6592 36 E 3.4405 8.7002 124.6834 57.8444 30.0115 179.6258 37 A 4.0194 7.8541 122.1969 55.1799 18.6114 178.4215 38 D 4.6515 8.4858 115.5233 56.2336 41.0271 176.6617 39 F 4.6549 7.1230 118.8197 56.0581 39.8057 174.0540 40 P 4.4357 0.0000 0.0000 62.7272 32.3324 174.9486 41 A 5.0518 8.6892 126.7720 50.2133 21.6299 175.6465 42 V 4.7623 8.7723 121.3270 60.9630 34.7011 174.0767 43 A 5.4622 9.1508 129.4250 50.1771 22.3331 174.8561 44 V 5.0961 8.8898 121.4014 61.4452 34.7016 174.2409 45 Y 5.0743 8.3229 124.8239 56.3638 41.7247 173.1053 46 L 5.4860 8.6763 117.9628 53.3615 45.3425 176.4265 47 T 4.6671 8.6607 111.3903 60.1115 72.9631 173.7155 48 G 4.2043 8.9806 108.2002 46.3846 0.0000 173.1210 49 A 4.7819 8.2503 120.6173 52.0707 19.3202 177.8681 50 E 4.6995 9.7014 117.7348 55.1270 33.2614 174.4443 51 Y 3.1257 7.6000 124.4995 57.5599 39.4014 175.4563 52 T 4.1111 7.3485 113.4635 60.9905 70.7919 172.4206 53 G 3.2833 5.3800 110.2437 45.2116 0.0000 173.1585 54 E 4.9080 8.5613 117.3172 54.9356 30.8118 173.8515 55 E 4.4495 8.8429 122.9559 55.2160 30.8339 174.9000 56 L 5.1988 8.0109 129.0417 56.9037 41.2728 180.3780 *58 S 4.1778 7.3492 121.4796 58.3898 62.9531 174.6776 59 D 5.1810 8.5907 130.6889 52.0838 41.6924 173.6135 60 T 4.6024 8.4511 119.3065 60.5325 70.1526 170.4990 61 W 5.3177 8.5166 121.7690 55.1778 34.3191 173.7556 62 Q 5.1051 9.4332 122.8934 54.6278 32.2826 173.8634 63 A 5.3741 9.2866 126.0998 50.1078 24.0528 173.9170 64 E 4.9688 9.2749 120.1043 54.5337 32.0330 174.3973 65 L 4.7633 8.8494 130.1244 54.4083 43.5838 174.9234 66 H 5.1528 8.9058 123.6582 54.4094 31.8926 174.3773 67 I 4.8447 8.6246 122.2566 60.2765 40.4310 172.6284 68 E 4.8137 9.2507 128.3538 54.1395 32.1514 174.6187 69 V 4.6230 8.1188 120.2979 59.7418 33.9410 174.7416 70 F 4.9656 9.1000 124.5300 55.5955 41.5336 174.6911 71 L 4.9847 8.3067 122.4948 51.6350 45.2085 174.2993 72 P 3.1331 0.0000 0.0000 63.2189 31.1506 177.5231 73 A 3.3340 8.5497 126.1481 54.1419 16.2097 179.4023 74 Q 4.3813 8.6726 117.3024 55.0667 28.9180 173.3930 75 V 4.4304 7.7666 121.0100 57.2066 34.1368 172.4282 76 P 4.4730 0.0000 0.0000 63.7783 31.8272 177.7211 77 D 4.5820 8.6032 123.8243 57.1375 40.8711 179.2136 78 S 4.2181 8.2812 115.5321 61.8689 62.8123 176.0104 79 E 3.8784 8.6383 122.1081 59.5302 29.1512 178.9923 80 L 4.0324 7.8974 118.1258 57.9669 41.7320 178.9580 81 D 4.6278 8.7212 119.9919 56.7688 40.7646 178.4708 82 A 4.2734 8.9109 122.3296 55.1388 18.3661 179.2130 83 W 3.9147 8.5528 126.7328 60.9809 30.8034 177.5272 84 M 4.1522 8.8130 120.7725 59.6804 31.4079 178.7455 85 E 4.4056 9.0044 118.3976 60.8412 29.9471 180.4089 86 S 4.5768 8.0748 113.5906 60.3633 63.7329 175.8919 87 R 4.2992 8.2691 119.5524 56.1991 31.4583 177.8398 88 I 4.2304 7.4975 118.7966 63.6593 37.9496 177.0581 89 Y 4.5453 7.6368 117.3214 61.0657 37.5954 176.9586 90 P 4.2957 0.0000 0.0000 66.1246 31.5178 178.3901 91 V 3.7654 7.8690 115.9714 66.3316 31.2406 177.8258 92 M 4.2663 8.2146 120.2891 58.7016 31.8434 178.7949 93 S 4.6380 8.1707 120.9682 62.7053 62.4253 178.4540 94 D 4.8551 7.3651 121.0828 51.9085 43.0341 177.6553 95 I 4.7003 7.9036 126.1117 56.9913 38.1507 174.0145 96 P 4.1457 0.0000 0.0000 65.5597 31.4880 177.3279 97 A 3.9543 8.0377 117.4483 55.3407 18.3705 178.9975 98 L 4.0162 8.2456 120.8790 59.2115 41.9618 179.6781 99 S 4.1512 8.1764 118.0222 63.7594 61.7880 178.1224 100 D 4.4490 8.2185 120.5341 56.4756 40.8466 177.4897 101 L 4.2157 8.1931 120.8162 56.2798 42.1529 177.4210 102 I 4.6894 6.9853 115.6254 58.6343 37.4060 180.3087 103 T 4.7294 8.5318 109.2123 62.3824 69.8332 174.6090 104 S 4.7748 7.6337 115.4797 58.6057 65.3476 175.2837 105 M 5.2648 8.6732 119.7596 54.5413 35.4043 173.9737 106 V 4.5383 8.2011 119.4135 60.5700 34.3582 171.7344 107 A 3.6887 8.9238 124.7266 52.7563 18.4031 175.7376 108 S 4.4377 8.6486 115.0419 58.9511 63.9457 176.3767 109 G 4.1059 7.9781 106.6884 46.7569 0.0000 169.8607 110 Y 4.6671 8.4629 121.2401 57.4138 41.2596 174.2892 111 D 5.1668 8.4476 126.7758 52.6529 44.9530 174.8939 112 Y 4.9236 8.7794 117.9951 56.6191 40.2108 175.2670 113 R 4.8625 8.5152 125.4427 55.5364 34.3779 175.0415 114 R 4.3911 7.9378 118.3524 56.1606 33.5813 171.3120 115 D 3.6912 7.4605 117.8543 54.3210 40.5307 176.7524 116 D 4.2290 8.6849 129.5949 57.1774 41.2323 177.8039 117 D 4.8148 7.8449 117.4506 52.8254 40.6782 180.5566 *119 G 3.7252 7.9680 110.8233 46.5676 0.0000 173.7092 120 L 4.6936 9.2529 122.6276 53.4718 42.0917 177.3958 121 W 4.6442 6.8211 117.7412 57.8548 30.2786 173.9164 122 S 5.2771 8.2643 119.6963 57.5382 66.8302 172.6843 123 S 4.8337 8.9693 113.4579 58.0773 66.9738 172.6621 124 A 4.5593 8.0973 120.7874 49.9030 22.4591 174.9007 125 D 4.7902 8.3626 120.8662 52.1161 44.1920 174.3593 126 L 4.4909 8.6093 129.7203 54.9799 43.5778 175.6811 127 T 5.7732 8.0224 112.7859 59.8188 72.7035 172.1317 128 Y 5.2094 8.4550 118.6055 56.6379 43.2203 173.9637 129 V 4.7985 8.8515 121.8400 61.4200 33.4879 174.5069 130 I 5.1095 8.7058 122.0191 59.3296 40.6188 174.5878 131 T 5.3439 8.1860 114.2954 60.5544 72.0794 172.3513 132 Y 4.9982 8.0229 120.0142 56.9332 42.0493 172.1928 133 E 5.4922 8.8635 118.8488 54.1093 31.5484 176.2058 134 M 4.2473 8.7906 122.8809 55.8025 32.0312 175.7359 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 4 M 8.30 4.42 0.00 2.05 1.27 0.00 0.00 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.51 0.00 5 K 8.72 4.16 0.00 1.89 1.68 0.00 1.46 0.00 0.00 1.75 0.00 0.00 3.10 0.00 0.00 3.44 0.00 0.00 0.00 0.00 1.50 1.52 7.81 6 H 8.73 4.16 0.00 3.15 3.26 0.00 5.69 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 T 7.78 3.90 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 1.19 0.00 0.00 8 E 8.00 3.88 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 2.37 2.47 0.00 9 L 7.87 3.89 0.00 1.69 1.55 0.05 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 10 R 8.24 3.91 0.00 1.91 2.08 0.00 3.42 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.80 0.00 11 A 8.22 3.92 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 12 A 8.58 3.87 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 13 V 7.47 3.55 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 1.13 0.00 0.00 0.87 0.00 0.00 14 L 8.05 3.99 0.00 1.86 1.64 0.97 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 15 D 8.79 4.30 0.00 2.72 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 16 A 7.49 3.88 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 17 L 8.01 4.29 0.00 1.69 2.08 1.21 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 18 E 7.40 3.70 0.00 2.10 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 2.23 0.00 19 K 6.95 4.30 0.00 1.80 1.78 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.52 7.81 *22 T 7.63 4.06 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 1.49 0.00 0.00 23 G 8.38 3.98 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 0.00 0.00 0.00 24 A 7.75 4.94 1.15 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 25 T 8.42 4.45 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 1.05 0.00 0.00 26 F 8.94 5.16 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 27 F 9.32 4.70 0.00 2.87 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 28 D 8.94 5.09 0.00 2.71 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 29 G 9.50 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 30 R 8.01 3.20 0.00 0.67 1.32 0.00 2.29 0.00 0.00 2.95 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.30 0.00 31 P 0.00 4.00 0.00 0.49 0.80 0.00 2.94 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 1.16 0.00 32 A 7.61 4.17 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 33 V 6.93 4.22 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 0.81 0.00 0.00 0.93 0.00 0.00 34 F 8.51 4.78 0.00 3.00 2.44 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 35 D 8.50 4.77 0.00 2.60 2.58 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 36 E 8.70 3.44 0.00 2.35 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 2.45 2.43 0.00 37 A 7.85 4.02 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 38 D 8.49 4.65 0.00 2.19 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.12 4.65 0.00 2.85 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 P 0.00 4.44 0.00 2.12 1.42 0.00 3.67 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.11 0.00 41 A 8.69 5.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 V 8.77 4.76 1.22 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 1.16 0.00 0.00 0.72 0.00 0.00 43 A 9.15 5.46 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 44 V 8.89 5.10 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 1.10 0.00 0.00 1.11 0.00 0.00 45 Y 8.32 5.07 0.00 3.09 3.06 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 46 L 8.68 5.49 0.00 1.52 1.58 0.63 0.66 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 47 T 8.66 4.67 4.36 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 1.36 0.00 0.00 48 G 8.98 4.20 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 0.00 49 A 8.25 4.78 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 50 E 9.70 4.70 0.00 1.94 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 2.38 2.13 0.00 51 Y 7.60 3.13 0.00 1.71 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 52 T 7.35 4.11 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 1.03 0.00 0.00 53 G 5.38 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 0.00 0.00 0.00 54 E 8.56 4.91 0.00 1.98 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 0.00 2.14 1.84 0.00 55 E 8.84 4.45 0.00 2.00 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 2.20 2.11 0.00 56 L 8.01 5.20 0.00 1.72 1.62 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 *58 S 7.35 4.18 0.00 3.67 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 59 D 8.59 5.18 0.00 2.34 2.58 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 60 T 8.45 4.60 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 1.21 0.00 0.00 61 W 8.52 5.32 0.00 2.50 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 62 Q 9.43 5.11 0.00 2.02 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.57 0.00 0.00 0.00 0.00 0.00 2.31 2.49 0.00 63 A 9.29 5.37 1.48 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 64 E 9.27 4.97 0.00 2.11 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 2.12 2.18 0.00 65 L 8.85 4.76 0.00 1.78 1.55 0.90 0.84 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 66 H 8.91 5.15 0.00 1.56 2.40 0.00 5.65 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 I 8.62 4.84 1.92 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.61 0.99 0.00 0.00 68 E 9.25 4.81 0.00 2.21 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 1.47 1.81 0.00 69 V 8.12 4.62 1.40 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 0.80 0.00 0.00 0.66 0.00 0.00 70 F 9.10 4.97 0.00 2.54 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 71 L 8.31 4.98 0.00 1.43 1.35 0.83 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 72 P 0.00 3.13 0.00 1.88 1.69 0.00 3.65 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.92 0.00 73 A 8.55 3.33 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 74 Q 8.67 4.38 0.00 2.04 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.76 0.00 0.00 0.00 0.00 0.00 2.16 1.87 0.00 75 V 7.77 4.43 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 0.95 0.00 0.00 0.93 0.00 0.00 76 P 0.00 4.47 0.00 2.23 2.24 0.00 3.88 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 2.10 2.00 0.00 77 D 8.60 4.58 0.00 2.71 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 78 S 8.28 4.22 0.00 3.91 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 79 E 8.64 3.88 0.00 2.05 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 0.00 2.43 2.47 0.00 80 L 7.90 4.03 0.00 2.15 1.69 1.02 1.00 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 81 D 8.72 4.63 0.00 2.98 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 82 A 8.91 4.27 1.47 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 0.00 0.00 0.00 83 W 8.55 3.91 0.00 3.60 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 84 M 8.81 4.15 0.00 2.38 2.21 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.68 0.00 85 E 9.00 4.41 0.00 2.02 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 2.26 2.19 0.00 86 S 8.07 4.58 0.00 3.88 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 87 R 8.27 4.30 0.00 1.21 1.61 0.00 2.21 0.00 0.00 2.52 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.50 0.00 88 I 7.50 4.23 1.92 0.00 0.00 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 1.92 1.38 0.94 0.00 0.00 89 Y 7.64 4.55 0.00 3.11 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 90 P 0.00 4.30 0.00 2.05 2.18 0.00 3.77 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.25 0.00 91 V 7.87 3.77 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 1.14 0.00 0.00 1.04 0.00 0.00 92 M 8.21 4.27 0.00 2.24 2.50 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 2.88 2.96 0.00 93 S 8.17 4.64 0.00 3.71 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 94 D 7.37 4.86 0.00 2.61 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 95 I 7.90 4.70 1.82 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.54 0.88 0.00 0.00 96 P 0.00 4.15 0.00 2.14 2.11 0.00 3.61 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 2.11 2.19 0.00 97 A 8.04 3.95 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 98 L 8.25 4.02 0.00 1.70 1.85 0.83 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 99 S 8.18 4.15 0.00 3.77 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 0.00 100 D 8.22 4.45 0.00 2.79 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 0.00 101 L 8.19 4.22 0.00 1.64 1.66 0.85 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 102 I 6.99 4.69 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 1.35 0.70 0.91 0.00 0.00 103 T 8.53 4.73 4.29 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 1.34 0.00 0.00 104 S 7.63 4.77 0.00 3.91 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 0.00 105 M 8.67 5.26 0.00 2.01 1.91 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.43 0.00 106 V 8.20 4.54 2.14 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 0.68 0.00 0.00 0.97 0.00 0.00 107 A 8.92 3.69 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 0.00 108 S 8.65 4.44 0.00 3.89 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.98 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 0.00 0.00 0.00 110 Y 8.46 4.67 0.00 3.05 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 0.00 111 D 8.45 5.17 0.00 2.60 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 0.00 112 Y 8.78 4.92 0.00 2.77 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 0.00 113 R 8.52 4.86 0.00 1.91 2.02 0.00 3.23 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 114 R 7.94 4.39 0.00 1.54 1.65 0.00 3.26 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.16 0.00 115 D 7.46 3.69 0.00 1.58 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 0.00 0.00 0.00 116 D 8.68 4.23 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 0.00 117 D 7.84 4.81 0.00 2.68 2.52 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 *119 G 7.97 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.25 4.69 0.00 1.63 1.54 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 121 W 6.82 4.64 0.00 3.38 3.05 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 0.00 122 S 8.26 5.28 0.00 3.34 3.70 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 0.00 123 S 8.97 4.83 0.00 3.32 3.55 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 0.00 124 A 8.10 4.56 0.69 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 0.00 0.00 125 D 8.36 4.79 0.00 2.58 2.35 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 0.00 126 L 8.61 4.49 0.00 1.65 1.61 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 127 T 8.02 5.77 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 0.91 0.00 0.00 128 Y 8.45 5.21 0.00 2.84 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 0.00 129 V 8.85 4.80 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 1.05 0.00 0.00 1.02 0.00 0.00 130 I 8.71 5.11 1.98 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.95 0.93 0.00 0.00 131 T 8.19 5.34 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 1.24 0.00 0.00 132 Y 8.02 5.00 0.00 3.25 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 0.00 133 E 8.86 5.49 0.00 1.95 1.99 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 2.31 2.19 0.00 134 M 8.79 4.25 0.00 2.05 1.53 0.00 0.00 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.24 0.00 * Residues marked with a * may have inaccurate shift predictions.