NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.8388 8.3001 120.7080 55.1273 33.3159 174.2055 2 A 4.8653 8.7077 123.2634 49.5325 22.8982 170.6814 3 V 4.9802 8.7962 119.9197 60.1913 35.9559 174.7268 4 I 5.1179 9.2552 125.3388 57.9540 38.7755 172.0705 5 A 5.0665 8.9776 130.5767 50.1752 23.4796 175.6203 6 D 5.2834 8.7125 118.4037 52.8478 40.7442 173.0662 7 P 4.4254 0.0000 0.0000 68.3216 30.7177 180.2248 8 E 4.2494 8.2723 119.8318 62.0516 29.6558 181.9794 9 T 4.0981 7.8936 115.1829 65.6172 68.5750 177.9124 10 A 4.2262 8.2650 126.2862 55.7557 18.2852 180.1523 11 Q 4.0714 8.1771 119.3019 60.6365 28.1763 181.3142 12 G 3.8785 8.1097 109.9483 48.1034 0.0000 176.5441 *13 F 4.1449 8.5019 125.5617 62.3620 37.9842 180.6624 14 R 4.7858 8.0314 125.2851 61.4909 28.8958 181.4743 15 L 4.2598 7.6106 121.7156 58.9477 41.0247 180.4908 16 A 4.4605 7.6771 117.6142 52.7200 18.2966 178.3426 17 G 3.8086 8.3951 109.1376 45.7262 0.0000 174.3109 18 L 4.5134 8.0395 124.6059 54.0595 43.8838 182.0117 19 E 4.5378 8.4398 116.9684 56.4768 28.2005 174.6603 20 G 4.3710 8.1341 113.6128 45.8307 0.0000 171.0486 *21 Y 4.8275 8.7487 123.3704 55.2642 41.0858 173.3504 22 G 4.4298 8.7366 110.5053 44.2439 0.0000 172.7274 23 A 4.8312 9.3159 127.3110 50.9287 23.2704 177.1298 24 S 4.6979 8.4838 116.2861 57.5786 64.1940 176.3075 25 S 4.7153 8.0219 118.1376 58.8950 66.9752 178.2143 26 A 4.5349 8.6299 129.2971 56.1136 18.1754 180.7013 27 E 3.9562 8.2810 117.6770 61.8689 29.8742 181.5344 28 E 4.1577 8.2862 118.9360 61.1924 29.6729 180.8013 29 A 4.2447 8.5495 124.7304 55.8592 18.3904 180.4606 30 Q 4.1745 8.2534 121.4958 60.6985 28.0314 181.8270 31 S 4.4031 8.1949 122.0627 64.0905 62.2791 180.3374 32 L 4.2591 8.1946 128.9958 59.9028 40.6274 181.6684 33 L 4.2604 8.3839 126.3483 59.9923 40.7403 181.7370 34 E 4.2031 8.3572 121.7708 61.8101 29.6350 181.4862 35 T 4.1523 8.2533 118.7373 66.6075 68.5054 178.6183 36 L 4.2629 8.2865 128.0860 60.0257 40.6686 182.2714 37 V 3.9824 8.1520 122.2391 66.5677 31.6106 180.5421 38 E 4.4270 8.5722 120.9320 61.4343 29.6555 181.7030 39 R 4.3840 7.9150 120.4202 61.0151 29.6477 179.6848 40 G 4.1676 8.2969 108.3728 46.2133 0.0000 174.9974 41 G 3.8114 8.2266 108.6677 46.5247 0.0000 173.3510 *42 Y 4.4361 7.5780 118.2082 55.4668 38.5240 180.1952 43 A 4.6304 8.4464 126.6452 52.7293 20.8530 177.2543 44 L 4.8697 7.5090 117.7790 54.5070 45.6912 180.6880 45 V 4.8211 8.6784 121.3050 59.1804 35.5367 173.1394 46 A 5.0195 9.3118 131.7158 50.2965 20.8202 176.7591 47 V 4.8132 8.9026 124.5153 59.7373 35.7471 172.4419 48 D 4.8040 9.0810 128.8398 54.3124 40.2559 175.7888 49 E 3.9514 9.3360 119.6633 57.7753 30.0186 176.4018 50 A 4.0807 8.2007 122.0138 55.3801 18.6035 178.5758 51 L 4.4953 8.1777 117.0999 55.2053 42.3053 181.1261 52 L 5.0511 7.5109 118.2257 53.7271 41.2162 181.0993 53 P 4.5150 0.0000 0.0000 64.5709 31.7350 178.9902 54 D 4.7414 7.7109 117.1360 51.7232 40.7143 179.7999 55 P 4.7206 0.0000 0.0000 65.2906 31.3751 177.4957 56 E 4.3736 8.0381 118.7643 62.5604 30.2760 184.7418 57 R 4.1899 8.1190 121.2615 61.0884 28.9521 180.4898 58 A 4.2194 7.6491 121.4191 56.3171 18.6327 180.2618 59 V 3.7486 7.8958 120.5296 67.1781 31.4320 181.1804 60 E 4.1314 8.1756 120.8615 61.5674 29.8629 182.4315 61 R 4.3997 8.1822 124.6143 61.4701 29.2861 181.1029 62 L 4.3824 8.1472 124.4192 59.5356 41.1017 181.4086 63 M 4.4438 6.8603 118.1334 54.7543 31.9596 179.6209 64 R 4.2644 8.3072 118.0940 56.7008 30.2865 177.2833 65 G 4.1447 8.1174 110.2025 45.5903 0.0000 172.8180 66 R 4.1540 8.6404 119.7530 56.1411 28.8396 177.4020 67 D 4.5842 8.5991 120.0841 53.7533 40.2491 177.8088 68 L 4.5550 8.3645 127.3549 51.6954 42.4002 171.7221 69 P 4.4508 0.0000 0.0000 63.8120 31.1194 177.3212 70 V 3.8511 8.5991 126.1798 61.6046 33.0314 172.8186 71 L 5.1419 8.5766 126.4077 53.7309 44.1157 177.0479 72 L 4.6894 8.9329 129.6538 51.7801 43.7000 171.0075 73 P 4.9098 0.0000 0.0000 62.6432 31.6780 174.0666 74 I 4.6836 9.2109 124.6130 57.2532 39.1687 172.2957 75 A 4.3035 8.8051 129.0492 51.9312 18.8592 176.5704 76 G 4.1181 8.5380 108.8689 46.0084 0.0000 173.5809 77 L 5.0031 8.3595 122.7220 54.5484 42.4033 178.6843 78 K 4.2363 8.7682 117.1568 59.5557 31.1108 176.3336 79 E 4.2517 8.1013 112.5980 57.2258 29.8394 180.6917 80 A 3.9876 8.0082 121.8958 54.8513 19.4241 178.6588 *81 F 4.4560 7.9230 116.5940 58.7993 39.2823 183.8431 82 Q 4.4689 7.5499 116.2883 55.5140 28.5187 179.1149 83 G 4.3481 7.2998 117.0347 47.3409 0.0000 176.4492 *84 H 4.7050 9.0981 122.3596 56.5374 30.6073 172.2997 85 D 4.5517 7.4668 122.7971 56.1719 39.6211 181.1178 86 V 4.3259 11.1300 123.0839 62.7417 35.1732 180.5541 87 E 4.1734 8.4105 120.0253 60.6867 29.2746 180.7531 88 G 4.0044 8.0410 107.4368 47.5355 0.0000 175.8847 *89 Y 4.1073 8.0646 124.9425 62.9400 36.6544 181.7050 90 M 4.3929 8.3047 123.6312 60.1855 31.5719 182.1387 91 R 4.2161 7.9306 123.9138 62.1541 29.5289 181.4972 92 E 4.2697 8.5589 121.8226 61.5319 29.8988 181.6630 93 L 4.4182 8.1618 126.0303 59.8018 40.9815 182.3457 94 V 4.0059 8.0255 122.0385 66.4166 31.6614 182.1203 95 R 4.7390 8.1832 125.2865 61.2971 28.9906 181.3163 96 K 4.1522 8.2808 126.3362 61.5930 31.7118 180.6779 97 T 4.3565 7.9353 117.3565 65.6441 68.2861 178.6895 98 I 4.3003 7.7197 125.9627 62.0404 36.1822 174.5784 99 G 3.8013 8.1650 116.9949 47.4876 0.0000 173.6046 *100 F 5.1278 8.0800 135.0000 56.8088 40.2940 170.9457 101 D 4.7306 8.1784 130.2520 51.9618 37.8441 173.2251 102 I 3.9890 7.7464 124.7631 59.8340 36.5631 178.4593 103 K 4.3857 8.3988 128.2242 54.5085 29.5941 177.3602 104 L 4.3108 7.8258 124.2223 54.1114 40.9552 177.4545 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 M 8.30 4.84 0.00 1.82 1.92 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.13 0.00 2 A 8.71 4.87 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 3 V 8.80 4.98 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 0.72 0.00 0.00 0.93 0.00 0.00 4 I 9.26 5.12 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 1.16 0.68 0.91 0.00 0.00 5 A 8.98 5.07 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 6 D 8.71 5.28 0.00 2.62 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 7 P 0.00 4.43 0.00 2.07 2.10 0.00 3.70 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.67 0.00 8 E 8.27 4.25 0.00 1.97 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 1.95 0.00 9 T 7.89 4.10 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 10 A 8.27 4.23 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 11 Q 8.18 4.07 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 12 G 8.11 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 *13 F 8.50 4.14 0.00 2.29 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 0.00 0.00 0.00 0.00 14 R 8.03 4.79 0.00 1.83 1.98 0.00 3.22 0.00 0.00 3.30 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.39 0.00 15 L 7.61 4.26 0.00 1.69 1.61 0.92 1.09 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 16 A 7.68 4.46 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 17 G 8.40 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 18 L 8.04 4.51 0.00 1.34 1.55 0.92 1.15 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 19 E 8.44 4.54 0.00 1.65 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 2.26 1.88 0.00 20 G 8.13 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 *21 Y 8.75 4.83 0.00 1.98 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 0.00 0.00 0.00 22 G 8.74 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.32 4.83 1.19 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 24 S 8.48 4.70 0.00 3.59 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 25 S 8.02 4.72 0.00 3.68 3.68 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 26 A 8.63 4.53 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 27 E 8.28 3.96 0.00 1.99 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 2.32 1.95 0.00 28 E 8.29 4.16 0.00 1.96 2.01 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 2.32 1.97 0.00 29 A 8.55 4.24 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 0.00 0.00 0.00 0.00 0.00 0.00 30 Q 8.25 4.17 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.75 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 31 S 8.19 4.40 0.00 3.74 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 32 L 8.19 4.26 0.00 1.64 1.72 0.92 0.59 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 33 L 8.38 4.26 0.00 1.60 1.72 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.36 4.20 0.00 1.98 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 2.24 2.20 0.00 35 T 8.25 4.15 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 36 L 8.29 4.26 0.00 1.63 1.71 0.92 1.30 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 37 V 8.15 3.98 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 0.90 0.00 0.00 0.93 0.00 0.00 38 E 8.57 4.43 0.00 2.03 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 2.26 2.19 0.00 39 R 7.92 4.38 0.00 1.90 1.87 0.00 3.21 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 40 G 8.30 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 0.00 0.00 0.00 41 G 8.23 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 *42 Y 7.58 4.44 0.00 2.34 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 0.00 0.00 0.00 43 A 8.45 4.63 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 44 L 7.51 4.87 0.00 1.30 1.47 0.92 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 45 V 8.68 4.82 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 0.68 0.00 0.00 0.93 0.00 0.00 46 A 9.31 5.02 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 47 V 8.90 4.81 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 0.71 0.00 0.00 0.93 0.00 0.00 48 D 9.08 4.80 0.00 2.35 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 49 E 9.34 3.95 0.00 1.88 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 2.24 2.14 0.00 50 A 8.20 4.08 1.31 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 0.00 0.00 51 L 8.18 4.50 0.00 1.58 1.66 0.92 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 52 L 7.51 5.05 0.00 1.63 1.44 0.92 0.85 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 53 P 0.00 4.51 0.00 2.08 1.99 0.00 3.66 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.58 0.00 54 D 7.71 4.74 0.00 2.52 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 55 P 0.00 4.72 0.00 2.07 2.06 0.00 3.69 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.64 0.00 56 E 8.04 4.37 0.00 1.97 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 2.28 1.93 0.00 57 R 8.12 4.19 0.00 1.81 1.99 0.00 3.22 0.00 0.00 3.34 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.29 0.00 58 A 7.65 4.22 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 59 V 7.90 3.75 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 0.76 0.00 0.00 0.93 0.00 0.00 60 E 8.18 4.13 0.00 2.09 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 2.27 2.26 0.00 61 R 8.18 4.40 0.00 1.85 1.96 0.00 3.25 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 62 L 8.15 4.38 0.00 1.73 1.63 0.92 1.17 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 63 M 6.86 4.44 0.00 2.02 1.89 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.36 0.00 64 R 8.31 4.26 0.00 1.82 1.75 0.00 3.21 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.20 0.00 65 G 8.12 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 0.00 0.00 0.00 66 R 8.64 4.15 0.00 2.03 1.87 0.00 3.27 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.18 0.00 67 D 8.60 4.58 0.00 2.69 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.36 4.56 0.00 1.65 1.47 0.92 0.88 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 69 P 0.00 4.45 0.00 1.84 1.91 0.00 3.73 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.62 0.00 70 V 8.60 3.85 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 0.61 0.00 0.00 0.93 0.00 0.00 71 L 8.58 5.14 0.00 1.37 1.44 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 72 L 8.93 4.69 0.00 1.28 1.57 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 73 P 0.00 4.91 0.00 1.85 1.87 0.00 3.65 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.60 0.00 74 I 9.21 4.68 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 1.16 0.68 0.91 0.00 0.00 75 A 8.81 4.30 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 76 G 8.54 4.12 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 0.00 0.00 0.00 77 L 8.36 5.00 0.00 1.64 1.30 0.92 0.71 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 78 K 8.77 4.24 0.00 1.68 1.83 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.89 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.43 1.00 7.81 79 E 8.10 4.25 0.00 1.89 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 2.31 1.87 0.00 80 A 8.01 3.99 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 *81 F 7.92 4.46 0.00 2.20 2.28 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 82 Q 7.55 4.47 0.00 2.22 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.83 0.00 0.00 0.00 0.00 0.00 2.31 2.18 0.00 83 G 7.30 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 0.00 0.00 0.00 0.00 *84 H 9.10 4.71 0.00 2.80 2.96 0.00 7.22 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 D 7.47 4.55 0.00 2.70 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 86 V 11.13 4.33 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 0.68 0.00 0.00 0.93 0.00 0.00 87 E 8.41 4.17 0.00 1.96 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 2.32 1.96 0.00 88 G 8.04 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 0.00 0.00 0.00 *89 Y 8.06 4.11 0.00 2.33 2.34 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 90 M 8.30 4.39 0.00 2.04 2.09 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.42 0.00 91 R 7.93 4.22 0.00 1.80 1.98 0.00 3.24 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 92 E 8.56 4.27 0.00 1.96 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 2.24 2.19 0.00 93 L 8.16 4.42 0.00 1.66 1.71 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 94 V 8.03 4.01 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 0.71 0.00 0.00 0.93 0.00 0.00 95 R 8.18 4.74 0.00 1.81 1.98 0.00 3.25 0.00 0.00 3.30 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.38 0.00 96 K 8.28 4.15 0.00 1.79 1.79 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.40 1.36 7.81 97 T 7.94 4.36 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 98 I 7.72 4.30 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 1.45 1.10 0.91 0.00 0.00 99 G 8.16 3.80 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 0.00 0.00 0.00 *100 F 8.08 5.13 0.00 2.33 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 0.00 101 D 8.18 4.73 0.00 2.69 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 0.00 102 I 7.75 3.99 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 1.27 1.10 0.91 0.00 0.00 103 K 8.40 4.39 0.00 1.77 1.66 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.36 1.00 7.81 104 L 7.83 4.31 0.00 1.66 1.46 0.92 0.84 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 * Residues marked with a * may have inaccurate shift predictions.