NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 20 K 4.2259 8.4145 122.1394 53.6382 34.2383 176.2148 *21 S 4.6293 7.7726 115.0250 55.0454 63.9524 171.5531 22 V 3.6703 8.7179 126.7360 64.1631 32.4174 174.9599 23 N 4.8047 7.8245 116.8443 51.7234 40.6313 172.9353 24 S 4.7872 8.3893 119.8124 56.8862 65.7833 173.1241 25 V 4.5207 8.8873 126.1254 61.3876 35.0411 174.3194 26 T 4.8521 8.5484 122.5313 62.0029 71.4014 173.0829 27 L 4.9009 9.0333 126.7011 52.7530 45.6137 176.0308 28 V 4.7714 8.3084 120.9320 60.7658 34.1996 175.2789 29 G 4.1645 7.8185 116.2815 46.3225 0.0000 171.7872 30 V 4.9023 7.5180 122.1273 61.0151 35.3018 175.1545 31 V 4.7634 8.2692 127.1075 62.0118 32.8824 174.4140 32 H 5.4891 9.0309 124.2218 53.2422 33.4276 172.9256 33 D 4.6645 9.4528 116.7972 55.3566 38.4249 174.7615 34 I 4.1438 7.9329 119.3947 62.1584 37.6796 175.8202 35 Q 4.6313 9.4309 124.9297 54.3744 33.4702 173.8029 36 S 4.7317 8.5569 115.5428 56.3936 65.3808 174.6872 37 G 3.9578 7.3672 110.3016 46.2544 0.0000 171.9605 38 F 4.9413 8.7682 122.5340 56.7064 43.1610 174.5550 39 V 4.3609 8.9128 125.1480 60.9120 33.8553 173.4081 *40 Y 3.7000 9.7728 126.8302 57.5194 34.1571 169.2501 41 E 4.2831 8.5922 118.3292 56.9605 29.5752 177.2623 42 D 4.6121 8.1716 117.6835 54.9124 41.1478 175.3438 43 A 4.4976 8.6862 125.3634 51.7972 20.1402 176.6257 44 V 5.2298 8.1274 114.2840 60.0727 36.7568 173.6810 45 T 4.8314 8.1582 112.8545 59.9225 71.8049 172.5834 46 Q 4.9924 9.2178 124.8225 54.4754 32.8240 173.7962 47 F 5.2879 8.2479 118.5444 55.8596 42.3744 172.9701 48 T 4.8930 9.1602 117.0437 62.4648 70.1231 173.6654 49 L 5.3122 9.2520 128.9892 53.7064 44.7582 175.2150 50 T 5.1464 8.5991 122.7161 61.9264 70.3443 173.8787 51 T 4.5482 8.6437 117.2865 61.7905 71.0606 174.5194 52 T 4.5304 8.1722 118.6848 62.9496 71.4996 173.4265 53 S 4.7842 8.9868 123.6740 57.2316 64.9055 173.8561 54 I 5.6625 8.1762 125.3865 58.7568 40.7575 175.8696 *61 Q 4.2430 8.3631 121.6821 55.6450 31.2543 177.5486 62 E 4.1746 8.7496 121.1320 56.9945 28.4583 180.7885 63 V 3.1912 9.0083 112.5364 62.8323 28.5538 173.6054 64 V 4.0945 7.4738 120.2107 59.9045 31.7616 176.4350 65 V 5.0393 8.2407 129.4068 59.3915 31.0510 173.5610 66 E 4.6473 9.1029 126.2223 55.5891 31.8138 175.0645 67 K 4.8567 8.6095 124.4483 54.9327 34.2133 176.4987 68 D 4.4039 8.5777 122.5346 53.6200 45.0279 174.4817 69 H 4.8912 8.7816 122.3111 54.8696 28.2694 174.0090 70 H 4.5841 9.4558 120.8306 55.5256 30.5596 174.3826 71 T 4.5751 8.5506 119.1666 63.0138 70.0522 173.5021 72 I 4.6149 8.4741 127.9950 59.4633 39.8418 174.8509 73 R 4.5855 9.1295 125.7618 54.5144 33.2601 174.2556 74 C 5.3689 8.6809 122.4203 58.3116 30.0054 173.3327 75 F 5.1020 9.3923 123.1879 56.0687 41.6057 175.6306 76 G 4.2743 8.3829 108.5325 44.9973 0.0000 174.8419 77 E 3.9362 8.9712 124.0097 59.3551 30.1516 178.9431 78 L 4.1224 7.9330 118.4822 57.6760 41.8886 178.7672 79 F 4.5405 8.4188 120.1094 61.8280 39.1809 177.3004 80 S 3.8433 8.3773 113.4031 61.4548 62.5631 176.4048 81 A 3.9564 7.9922 124.2515 54.6638 18.1020 179.2733 82 E 3.8774 8.1329 116.7080 59.6009 29.5074 179.7139 83 V 3.4093 7.4204 117.9545 65.9051 31.4076 178.1229 84 K 3.9744 7.5014 117.5713 59.2915 32.0421 178.2802 85 Q 4.1572 8.0928 117.4778 57.0605 28.8306 176.4189 86 K 4.2779 7.4768 119.1694 57.4871 33.7833 176.7971 87 V 3.8495 7.8334 118.4688 62.4059 32.0723 175.1954 88 K 4.5029 9.4768 125.8828 53.8155 35.9126 175.0206 89 E 3.9756 8.6513 121.8109 59.1770 29.3866 177.6329 90 G 3.9665 9.1526 115.3720 45.2906 0.0000 173.3523 91 N 4.4099 8.1415 117.5470 53.7825 40.0300 174.0860 92 V 4.7998 8.1712 120.5577 61.8881 33.9587 175.0375 93 V 4.9367 8.5403 119.0281 59.9674 36.7491 173.4456 94 C 5.0891 9.2363 123.8202 58.0235 33.4117 172.5646 95 V 5.0380 9.0651 125.8735 61.1442 34.6493 173.6127 96 N 5.8245 8.5355 124.9559 50.9610 42.3838 173.7608 97 G 4.4008 8.0406 110.7336 46.7321 0.0000 170.9584 98 R 5.0386 7.7242 118.7062 54.4480 32.0515 176.1224 99 L 4.4716 8.4500 126.4957 55.1357 42.8458 176.1617 100 R 4.6136 8.2908 123.4850 54.5866 35.3195 173.8432 101 L 5.2375 8.5102 122.3472 53.8512 44.7643 176.8773 102 S 4.9127 9.8852 122.8983 56.6390 65.6681 168.0144 103 P 5.2405 0.0000 0.0000 61.1071 33.0928 175.2037 104 Q 4.2018 8.4973 113.6695 57.7850 31.2948 172.9245 *112 H 4.7404 8.2393 115.4210 54.3280 30.6198 175.5469 *113 F 4.8515 7.3177 116.0884 56.1920 42.5974 177.4252 114 Y 5.0439 8.7215 120.8793 57.0322 39.8461 175.6567 *115 F 4.9438 9.1990 125.3173 55.0109 40.4636 170.1943 116 P 5.1844 0.0000 0.0000 61.5536 32.7271 174.8855 117 Y 5.0231 8.3647 120.6457 56.3134 42.2024 172.9437 118 I 4.8696 8.7705 119.1098 59.6920 41.0429 174.6944 119 Q 5.2293 9.3928 129.1905 54.8884 30.5213 174.1330 120 V 4.8037 8.9160 127.6666 61.3136 34.4051 174.2434 121 Q 4.6996 8.2718 123.7803 54.8423 32.2688 171.5432 122 P 4.4611 0.0000 0.0000 62.2926 31.9375 174.1516 123 P 4.6020 0.0000 0.0000 63.1561 31.7033 176.2970 124 H 4.3982 8.1275 117.2732 58.3302 29.1548 175.7414 125 G 4.1948 7.8446 105.0341 45.5598 0.0000 173.0379 126 Q 4.7664 8.9245 117.2184 54.6073 33.8750 173.9494 127 V 4.8783 8.8304 122.9410 61.2185 33.7078 174.4821 128 A 4.7033 9.2420 130.7358 49.9705 21.1180 175.2263 129 V 4.1050 8.4422 122.6334 63.3565 32.5603 175.2520 130 I 4.4466 8.1562 128.4690 59.8570 39.0997 174.7080 131 H 4.7593 8.8973 124.5249 54.1319 30.1443 175.0923 132 G 3.8984 8.6091 116.3380 45.2074 0.0000 173.8311 133 D 4.9082 8.6022 117.1480 53.4736 39.6037 170.1861 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 20 K 8.41 4.23 0.00 1.79 1.80 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 *21 S 7.77 4.63 0.00 3.68 3.66 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 22 V 8.72 3.67 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 0.88 0.00 0.00 0.91 0.00 0.00 23 N 7.82 4.80 0.00 2.61 2.60 0.00 0.00 6.66 7.63 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 24 S 8.39 4.79 0.00 3.85 3.64 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 25 V 8.89 4.52 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 0.89 0.00 0.00 0.94 0.00 0.00 26 T 8.55 4.85 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 27 L 9.03 4.90 0.00 1.52 1.46 0.68 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 28 V 8.31 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 0.85 0.00 0.00 0.94 0.00 0.00 29 G 7.82 4.16 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 0.00 30 V 7.52 4.90 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 0.88 0.00 0.00 0.94 0.00 0.00 31 V 8.27 4.76 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 0.38 0.00 0.00 0.61 0.00 0.00 32 H 9.03 5.49 0.00 3.10 3.23 0.00 5.79 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 D 9.45 4.66 0.00 2.90 2.84 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 0.00 0.00 0.00 0.00 34 I 7.93 4.14 1.85 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.43 0.89 0.00 0.00 35 Q 9.43 4.63 0.00 1.88 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.69 0.00 0.00 0.00 0.00 0.00 2.26 2.50 0.00 36 S 8.56 4.73 0.00 3.75 3.59 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 37 G 7.37 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.77 4.94 0.00 2.99 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 39 V 8.91 4.36 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 *40 Y 9.77 3.70 0.00 2.42 2.21 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 41 E 8.59 4.28 0.00 2.17 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 2.10 1.88 0.00 42 D 8.17 4.61 0.00 3.13 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 43 A 8.69 4.50 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 0.00 0.00 0.00 0.00 0.00 0.00 44 V 8.13 5.23 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 -0.08 0.00 0.00 0.60 0.00 0.00 45 T 8.16 4.83 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 1.14 0.00 0.00 46 Q 9.22 4.99 0.00 1.87 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.67 0.00 0.00 0.00 0.00 0.00 2.18 2.32 0.00 47 F 8.25 5.29 0.00 3.23 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 48 T 9.16 4.89 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 1.32 0.00 0.00 49 L 9.25 5.31 0.00 1.99 1.58 1.16 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 50 T 8.60 5.15 4.32 0.00 0.00 0.00 0.00 0.00 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 51 T 8.64 4.55 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 1.26 0.00 0.00 52 T 8.17 4.53 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 1.22 0.00 0.00 53 S 8.99 4.78 0.00 3.79 3.76 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.18 5.66 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.03 0.91 0.00 0.00 *61 Q 8.36 4.24 0.00 2.10 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.77 6.97 0.00 0.00 0.00 0.00 0.00 2.18 1.93 0.00 62 E 8.75 4.17 0.00 1.97 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.86 0.00 63 V 9.01 3.19 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 0.82 0.00 0.00 0.93 0.00 0.00 64 V 7.47 4.09 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 0.75 0.00 0.00 0.93 0.00 0.00 65 V 8.24 5.04 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 0.85 0.00 0.00 0.93 0.00 0.00 66 E 9.10 4.65 0.00 1.66 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 2.16 2.14 0.00 67 K 8.61 4.86 0.00 1.61 1.64 0.00 1.63 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.46 7.81 68 D 8.58 4.40 0.00 2.53 2.29 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 69 H 8.78 4.89 0.00 3.03 3.28 0.00 5.69 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 H 9.46 4.58 0.00 3.03 3.23 0.00 5.61 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 T 8.55 4.58 4.32 0.00 0.00 0.00 0.00 0.00 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 72 I 8.47 4.61 0.56 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.53 0.57 0.00 0.00 73 R 9.13 4.59 0.00 1.91 1.39 0.00 2.67 0.00 0.00 2.88 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.44 0.00 74 C 8.68 5.37 0.00 2.69 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 75 F 9.39 5.10 0.00 2.98 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 76 G 8.38 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 0.00 0.00 0.00 0.00 77 E 8.97 3.94 0.00 2.04 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 2.34 2.46 0.00 78 L 7.93 4.12 0.00 1.83 1.76 0.96 0.99 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 79 F 8.42 4.54 0.00 3.07 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 80 S 8.38 3.84 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 81 A 7.99 3.96 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.13 3.88 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 2.44 2.61 0.00 83 V 7.42 3.41 1.94 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 0.96 0.00 0.00 0.33 0.00 0.00 84 K 7.50 3.97 0.00 1.67 1.87 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.42 7.81 85 Q 8.09 4.16 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.51 0.00 0.00 0.00 0.00 0.00 2.35 2.49 0.00 86 K 7.48 4.28 0.00 1.72 1.75 0.00 1.67 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.35 1.37 7.81 87 V 7.83 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 0.37 0.00 0.00 0.73 0.00 0.00 88 K 9.48 4.50 0.00 1.76 1.56 0.00 1.74 0.00 0.00 1.53 0.00 0.00 2.80 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.44 7.81 89 E 8.65 3.98 0.00 2.01 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 2.40 2.41 0.00 90 G 9.15 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 0.00 0.00 0.00 91 N 8.14 4.41 0.00 2.60 2.64 0.00 0.00 6.37 8.41 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 92 V 8.17 4.80 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 1.01 0.00 0.00 0.91 0.00 0.00 93 V 8.54 4.94 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 0.62 0.00 0.00 1.01 0.00 0.00 94 C 9.24 5.09 0.00 2.96 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 95 V 9.07 5.04 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 1.03 0.00 0.00 1.15 0.00 0.00 96 N 8.54 5.82 0.00 2.78 2.61 0.00 0.00 6.83 7.49 0.00 0.00 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 G 8.04 4.40 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 98 R 7.72 5.04 0.00 1.74 1.76 0.00 3.05 0.00 0.00 3.02 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.52 0.00 99 L 8.45 4.47 0.00 1.60 1.49 0.87 0.88 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 0.00 100 R 8.29 4.61 0.00 0.69 1.42 0.00 3.03 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.36 0.00 101 L 8.51 5.24 0.00 1.41 1.56 0.74 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 102 S 9.89 4.91 0.00 3.31 3.69 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 0.00 103 P 0.00 5.24 0.00 1.99 1.76 0.00 3.12 0.00 0.00 4.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.38 0.00 104 Q 8.50 4.20 0.00 2.03 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.72 0.00 0.00 0.00 0.00 0.00 2.16 1.89 0.00 *112 H 8.24 4.74 0.00 2.95 3.06 0.00 7.13 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *113 F 7.32 4.85 0.00 1.90 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 0.00 0.00 0.00 0.00 114 Y 8.72 5.04 0.00 2.89 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 *115 F 9.20 4.94 0.00 1.91 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 0.00 0.00 0.00 0.00 116 P 0.00 5.18 0.00 2.10 2.11 0.00 3.57 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.13 0.00 117 Y 8.36 5.02 0.00 3.16 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 0.00 118 I 8.77 4.87 1.88 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 1.07 0.81 0.91 0.00 0.00 119 Q 9.39 5.23 0.00 2.29 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.77 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 120 V 8.92 4.80 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 1.25 0.00 0.00 1.04 0.00 0.00 121 Q 8.27 4.70 0.00 2.35 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.83 0.00 0.00 0.00 0.00 0.00 2.27 2.41 0.00 122 P 0.00 4.46 0.00 1.91 1.74 0.00 3.50 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.20 0.00 123 P 0.00 4.60 0.00 2.00 2.03 0.00 3.19 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.99 0.00 124 H 8.13 4.40 0.00 3.15 3.36 0.00 5.69 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 G 7.84 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 0.00 126 Q 8.92 4.77 0.00 1.99 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.70 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 127 V 8.83 4.88 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 1.27 0.00 0.00 128 A 9.24 4.70 1.24 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 0.00 0.00 0.00 129 V 8.44 4.11 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 0.58 0.00 0.00 0.87 0.00 0.00 130 I 8.16 4.45 1.84 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 1.22 0.87 0.90 0.00 0.00 131 H 8.90 4.76 0.00 3.14 3.19 0.00 5.69 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 G 8.61 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 0.00 133 D 8.60 4.91 0.00 2.88 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 * Residues marked with a * may have inaccurate shift predictions.