NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2290 8.2649 123.5763 50.9921 19.4005 176.7236 2 P 4.3411 0.0000 0.0000 61.3744 32.0232 175.3842 3 P 4.4686 0.0000 0.0000 65.2898 32.4563 176.2356 4 E 4.8008 7.2500 110.3652 55.0698 32.5163 174.1103 5 W 4.2528 8.1941 125.8671 56.9505 33.3302 173.3036 6 D 4.6277 7.3957 123.4479 52.8359 43.8333 175.1808 7 W 4.5535 8.8999 125.4881 58.3963 29.8236 178.5676 8 R 3.9571 8.3798 118.6454 59.3389 29.4853 178.6600 9 S 4.3259 7.9115 108.7551 59.3848 63.3781 174.4306 10 K 4.3144 7.8191 119.6609 56.0754 32.3070 177.1193 11 G 3.4709 7.9146 106.7742 45.7772 0.0000 174.0932 12 A 4.0420 7.7293 120.2289 51.2191 19.4854 177.0923 13 V 4.4505 7.2335 116.1655 61.2409 34.1762 175.5194 14 T 4.2875 8.3158 116.9919 60.3641 69.9456 174.2149 15 K 4.1484 8.1927 121.1909 55.9332 32.6342 177.3415 16 V 3.6177 8.1568 120.6981 63.1014 31.8511 175.7959 17 K 4.4356 8.2497 125.8955 54.6799 34.4272 174.8439 18 D 4.4216 7.9606 118.2750 52.4737 43.0155 175.1889 19 Q 3.7746 8.1787 125.0666 56.7176 29.4946 178.3966 20 G 3.8438 8.5699 108.1921 46.6424 0.0000 174.6690 21 M 4.4634 8.7162 125.6936 55.4952 32.0735 175.8765 22 C 4.8691 7.6937 118.5699 54.8665 45.7038 174.8580 23 G 4.0460 8.8745 117.4794 44.6721 0.0000 173.5386 24 S 4.7832 7.7688 108.4048 58.1336 64.4018 176.3102 25 C 4.0811 8.5281 119.6206 62.3065 28.9021 175.1878 26 W 4.2585 8.4872 118.3222 59.4577 27.4187 177.9901 27 A 3.2206 6.3711 121.3138 54.5008 17.5808 179.6765 28 F 3.8294 7.7264 117.1680 59.7537 39.1144 177.7608 29 S 4.1181 8.2703 113.0986 61.2755 62.1472 176.4826 30 V 3.5960 7.6612 121.0197 66.2600 30.8124 178.1215 31 T 3.9351 7.9772 109.8579 64.7052 68.5883 176.5564 32 G 3.7422 8.2247 108.5951 47.4075 0.0000 175.2377 33 N 4.4147 8.1870 119.3704 56.4776 38.9621 177.2403 34 V 3.7171 8.3446 120.1525 65.9680 31.4596 177.8112 35 E 4.1629 8.9857 118.9659 59.3459 29.3198 179.6289 36 G 3.6337 8.0647 105.2536 47.7721 0.0000 175.8230 37 Q 4.0302 8.3522 120.9495 58.4218 28.6503 178.7780 38 W 4.1043 8.7727 129.8320 60.1667 30.7208 177.9226 39 F 4.3874 8.2983 122.0224 60.9509 38.7398 177.2303 40 L 3.7993 7.9641 116.6921 56.5564 41.4707 178.0312 41 N 4.7084 7.8712 113.8865 52.9201 40.0487 175.0605 42 Q 3.9610 8.0074 116.7432 54.5398 30.6522 176.4341 43 G 3.7667 8.4562 105.9194 45.0583 0.0000 173.5548 44 T 4.7990 7.4563 115.7036 61.5615 72.2403 172.4531 45 L 4.8975 8.9127 127.7541 54.0795 42.7426 175.4665 46 L 4.9269 8.3948 125.2280 52.8919 45.6035 176.0126 47 S 4.6457 8.5560 116.9507 57.5433 63.3696 173.2401 48 L 4.8166 8.9095 127.9950 53.2640 43.5250 176.7258 49 S 4.1530 8.4186 116.4716 57.9357 62.5095 174.6720 50 E 3.6757 8.3170 128.4557 58.9009 29.2261 178.6771 51 Q 3.7989 7.7713 119.3242 59.0266 28.9132 177.8504 52 E 3.3074 7.4610 120.2360 59.0370 29.3592 178.8864 53 L 4.0484 7.2501 118.0428 57.5706 41.6924 179.0978 54 L 4.2799 7.5592 117.9269 57.4518 41.6997 178.2520 55 D 4.8802 7.9802 118.7156 54.7534 41.5023 176.7568 56 C 4.7229 8.2760 114.3187 56.3459 40.5271 173.0868 57 D 4.7474 7.9065 119.4508 52.6515 41.4935 175.3672 58 K 4.3400 8.4105 125.0547 56.7581 32.9042 177.9931 59 M 4.0281 8.0714 119.0998 58.0774 32.3758 176.0067 60 D 4.4256 7.7346 117.1856 53.1826 42.4445 175.7614 61 K 4.6429 8.0538 117.4949 57.3230 34.4470 179.6817 62 A 4.1457 8.3131 128.4694 53.6849 18.4128 181.9983 63 C 4.6218 9.2023 121.6723 61.4338 40.2281 174.2995 64 M 4.2732 8.1298 118.7795 54.7476 31.9978 176.0444 65 G 4.0615 8.5093 106.9892 45.0338 0.0000 173.2639 66 G 2.9335 7.2759 106.9958 43.1907 0.0000 172.9778 67 L 4.6892 8.5076 118.6782 51.5689 45.4737 176.1470 68 P 4.0511 0.0000 0.0000 65.5925 30.8532 178.8770 69 S 4.2653 7.9601 112.5030 61.8583 62.7516 176.3747 70 N 4.3178 8.0070 119.5631 55.4476 38.3132 177.1622 71 A 4.1858 7.8197 122.2998 55.4736 18.5267 179.1341 72 Y 4.3267 7.7439 115.3512 61.5904 37.7389 179.3081 73 S 4.1728 7.7432 114.0527 61.5166 63.1999 176.3029 74 A 4.1148 8.2604 123.6047 55.2015 18.1961 179.7523 75 I 3.5625 7.9175 118.3553 64.2283 36.9383 178.6168 76 K 3.8156 7.7806 119.3140 59.5491 32.1932 177.3924 *78 N 4.8396 7.8956 113.7967 53.3038 40.4597 175.8528 78A L 3.7835 8.1001 117.6314 57.0492 41.6385 178.1317 78B G 4.2162 7.8033 105.6794 44.1109 0.0000 173.3047 79 G 4.1090 6.8886 105.9691 43.0776 0.0000 172.2155 80 L 5.1388 8.0736 121.9588 53.2573 45.1390 176.1709 81 E 4.7142 9.5544 126.2647 55.7145 31.7830 175.8323 82 T 4.5782 8.1394 111.0502 60.9035 70.3598 175.5332 83 E 3.9226 9.3165 122.9876 59.7587 29.3020 178.8438 84 D 4.3980 8.0089 117.3604 57.0439 41.0821 177.5196 85 D 4.7237 7.8226 116.7922 54.8768 42.4710 176.8530 86 Y 4.9966 7.4564 119.0441 56.3054 40.3095 173.9214 87 S 4.5094 8.0063 116.7110 57.1476 63.9347 174.4307 88 Y 4.3935 8.3049 123.6529 57.9105 38.9182 176.1994 89 Q 4.1241 9.5559 126.4952 55.0256 30.5383 176.9317 89A G 3.3359 6.4317 104.7948 43.7166 0.0000 172.7273 89 H 4.5141 9.6559 124.8952 54.3256 30.1383 175.0317 89A M 3.8559 6.3817 115.5948 54.0166 29.3579 174.1273 93 Q 4.6384 8.8611 120.5172 54.7577 31.9777 173.9187 94 S 4.2995 8.4893 114.5588 58.5049 63.2948 175.2823 95 C 4.4733 8.8501 124.2334 57.4781 43.6944 173.2317 96 Q 4.5443 8.9793 125.1847 55.3714 28.9132 175.5121 97 F 4.4210 8.3603 120.4897 58.4258 40.0939 174.4178 98 S 4.1521 8.3585 121.3911 55.8827 63.7955 174.1235 99 A 4.0410 8.4590 131.9556 55.1718 18.1401 178.5170 100 E 3.9299 7.8706 111.2370 57.6185 30.2634 177.4476 101 K 4.1090 7.8595 118.4409 57.2056 32.8836 177.1280 102 A 4.0892 7.0351 122.0022 52.2622 18.8642 177.2921 103 K 4.2746 8.1480 119.5392 56.0543 34.4596 176.3705 *105 V 2.7300 7.3408 117.6448 62.2175 32.1884 173.4771 106 Y 5.0209 7.8871 122.4922 56.1451 41.3850 174.7895 107 I 4.7031 8.4839 123.3846 59.6724 39.7312 175.5240 108 Q 4.5257 8.3422 120.9903 56.3210 30.2349 174.0869 109 D 4.4547 7.6576 115.8441 54.5059 44.0147 173.8913 110 S 4.4435 8.1676 112.6812 57.1068 65.4080 173.7787 111 V 4.4656 7.7531 114.1543 59.6162 35.0498 174.8096 112 E 4.4306 8.5282 121.6690 54.9409 30.7502 176.2204 113 L 4.3209 7.8718 123.2162 52.6078 43.6283 176.1015 114 S 4.1961 8.2166 114.2827 59.2195 62.5353 173.9589 115 Q 4.3228 8.3968 121.9865 55.9844 29.3690 175.7280 116 N 4.6601 8.2428 118.8435 52.6848 40.1365 175.4512 117 E 4.0580 8.7837 127.7261 59.1785 29.7346 179.0738 118 Q 3.9940 8.0096 119.6766 59.1328 29.2823 178.1019 119 K 4.1229 8.0125 119.0430 59.2303 32.0609 179.2758 120 L 4.0901 8.1045 119.4061 57.6593 41.5577 179.2932 121 A 4.0603 8.3144 120.6445 55.0792 18.1836 179.5710 122 A 3.9239 8.0465 119.2079 54.9051 18.3890 179.7273 123 W 3.8907 8.4269 126.9269 60.3989 30.8580 177.8015 124 L 4.8330 8.8660 121.7787 57.9651 41.3826 178.9799 125 A 2.8284 7.9104 118.8587 53.9779 18.1717 178.6154 126 K 4.0777 7.3822 116.5838 57.1498 32.9555 177.1027 127 R 3.9879 8.2521 115.0454 54.2643 31.6642 174.0560 128 G 2.9040 8.3212 103.8028 42.7647 0.0000 171.3744 129 P 4.5767 0.0000 0.0000 63.0707 31.6639 176.0994 130 I 4.4983 8.2326 122.3959 59.2551 39.3818 175.3788 131 S 4.3950 8.6236 120.0208 58.1415 62.9295 173.5717 132 V 4.5083 8.1693 119.3333 59.5001 35.4117 174.3480 133 A 4.7976 8.4747 125.1003 50.3942 20.8879 176.1450 134 I 4.6712 7.8433 114.2871 58.8648 40.9773 174.0316 135 N 4.5217 8.6004 119.5868 53.0702 39.4734 174.2871 136 A 4.2207 8.5329 127.6971 52.8412 18.7784 178.1823 *139 F 4.6960 8.1735 121.0321 59.3061 40.7744 176.6169 140 G 3.8895 7.9411 106.6182 46.3449 0.0000 174.1278 141 M 4.4575 7.6966 121.0251 56.1080 34.4790 178.3508 142 Q 3.7777 8.0270 115.4893 59.3173 28.3349 177.6588 143 F 4.9062 7.2285 114.7837 56.8228 38.9081 175.2009 144 Y 4.3915 7.7397 122.5033 57.5156 39.3165 174.4084 145 R 4.1493 7.2720 123.5089 57.0220 32.4385 174.8959 146 H 4.0402 6.9091 108.4952 55.3405 30.5761 173.3835 147 G 3.9406 8.8891 105.5567 45.1856 0.0000 173.1495 148 I 4.1475 7.9079 119.4222 59.8644 36.9368 176.1580 149 S 4.1612 8.4633 121.4123 58.1970 62.9202 173.3082 *152 R 4.4981 8.0798 126.4324 55.5090 29.8673 172.8333 153 P 4.5081 0.0000 0.0000 61.3519 32.3848 176.0440 154A L 3.8895 8.8778 122.2827 56.3422 41.8867 177.1088 155A R 3.8053 8.3771 126.5505 58.9424 30.8000 173.8546 156A P 4.3701 0.0000 0.0000 63.0797 31.0486 175.9034 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 A 8.26 4.23 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 2 P 0.00 4.34 0.00 2.54 2.14 0.00 3.43 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.11 0.00 3 P 0.00 4.47 0.00 2.07 2.14 0.00 3.73 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 4 E 7.25 4.80 0.00 2.07 1.90 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 2.24 2.24 0.00 5 W 8.19 4.25 0.00 3.22 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 6 D 7.40 4.63 0.00 2.51 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 7 W 8.90 4.55 0.00 3.57 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 8 R 8.38 3.96 0.00 2.09 1.98 0.00 3.13 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 9 S 7.91 4.33 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 10 K 7.82 4.31 0.00 2.25 2.17 0.00 0.81 0.00 0.00 1.22 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.18 1.07 7.81 11 G 7.91 3.47 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 0.00 12 A 7.73 4.04 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 13 V 7.23 4.45 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 0.94 0.00 0.00 1.06 0.00 0.00 14 T 8.32 4.29 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 1.24 0.00 0.00 15 K 8.19 4.15 0.00 1.77 1.79 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.42 7.81 16 V 8.16 3.62 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 0.74 0.00 0.00 0.93 0.00 0.00 17 K 8.25 4.44 0.00 1.71 1.76 0.00 2.02 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.57 7.81 18 D 7.96 4.42 0.00 2.49 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 0.00 0.00 0.00 0.00 19 Q 8.18 3.77 0.00 2.19 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.59 0.00 0.00 0.00 0.00 0.00 2.07 2.28 0.00 20 G 8.57 3.84 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 0.00 0.00 0.00 21 M 8.72 4.46 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.47 0.00 22 C 7.69 4.87 0.00 3.17 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 23 G 8.87 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 0.00 0.00 0.00 24 S 7.77 4.78 0.00 3.84 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 25 C 8.53 4.08 0.00 3.20 3.41 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 26 W 8.49 4.26 0.00 3.63 3.46 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 27 A 6.37 3.22 0.12 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 28 F 7.73 3.83 0.00 3.14 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 29 S 8.27 4.12 0.00 3.94 4.06 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 30 V 7.66 3.60 2.07 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 0.99 0.00 0.00 0.75 0.00 0.00 31 T 7.98 3.94 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 0.96 0.00 0.00 32 G 8.22 3.74 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 0.00 0.00 0.00 33 N 8.19 4.41 0.00 2.92 3.12 0.00 0.00 6.87 7.45 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 34 V 8.34 3.72 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 1.11 0.00 0.00 1.12 0.00 0.00 35 E 8.99 4.16 0.00 2.19 2.03 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 2.54 2.55 0.00 36 G 8.06 3.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 Q 8.35 4.03 0.00 2.34 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.75 0.00 0.00 0.00 0.00 0.00 2.69 2.61 0.00 38 W 8.77 4.10 0.00 3.55 3.17 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 39 F 8.30 4.39 0.00 3.17 3.23 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 40 L 7.96 3.80 0.00 1.51 1.53 0.13 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 41 N 7.87 4.71 0.00 2.63 2.63 0.00 0.00 6.77 7.20 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 42 Q 8.01 3.96 0.00 0.93 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.40 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 43 G 8.46 3.77 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 0.00 0.00 0.00 44 T 7.46 4.80 4.50 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 1.37 0.00 0.00 45 L 8.91 4.90 0.00 1.54 1.58 0.89 0.84 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 46 L 8.39 4.93 0.00 1.52 1.50 0.89 0.99 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 47 S 8.56 4.65 0.00 3.90 3.74 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 48 L 8.91 4.82 0.00 1.44 1.45 0.82 0.67 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 49 S 8.42 4.15 0.00 4.03 3.77 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 50 E 8.32 3.68 0.00 1.38 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 1.47 1.47 0.00 51 Q 7.77 3.80 0.00 2.11 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.90 0.00 0.00 0.00 0.00 0.00 2.61 2.46 0.00 52 E 7.46 3.31 0.00 1.81 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 2.24 2.48 0.00 53 L 7.25 4.05 0.00 1.48 1.56 0.64 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 54 L 7.56 4.28 0.00 1.71 1.75 0.94 1.03 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 55 D 7.98 4.88 0.00 2.79 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 56 C 8.28 4.72 0.00 2.97 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 57 D 7.91 4.75 0.00 2.65 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 58 K 8.41 4.34 0.00 1.77 1.81 0.00 1.82 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.36 7.81 59 M 8.07 4.03 0.00 1.93 2.02 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.65 0.00 60 D 7.73 4.43 0.00 2.22 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 0.00 0.00 0.00 0.00 61 K 8.05 4.64 0.00 1.66 1.71 0.00 1.79 0.00 0.00 1.60 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.22 1.42 7.81 62 A 8.31 4.15 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 63 C 9.20 4.62 0.00 3.08 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 64 M 8.13 4.27 0.00 1.99 2.25 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 2.60 2.65 0.00 65 G 8.51 4.06 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 0.00 0.00 0.00 66 G 7.28 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 0.00 0.00 0.00 67 L 8.51 4.69 0.00 1.44 1.43 0.84 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 68 P 0.00 4.05 0.00 2.07 1.86 0.00 3.58 0.00 0.00 3.85 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 69 S 7.96 4.27 0.00 4.08 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 70 N 8.01 4.32 0.00 2.96 2.80 0.00 0.00 6.98 7.18 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 71 A 7.82 4.19 1.43 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 72 Y 7.74 4.33 0.00 3.04 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 73 S 7.74 4.17 0.00 4.04 3.95 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 74 A 8.26 4.11 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 75 I 7.92 3.56 2.07 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 1.36 1.18 0.89 0.00 0.00 76 K 7.78 3.82 0.00 1.82 2.05 0.00 1.96 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.49 1.67 7.81 *78 N 7.90 4.84 0.00 2.91 2.88 0.00 0.00 6.92 7.85 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 78A L 8.10 3.78 0.00 1.33 0.62 0.70 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 78B G 7.80 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 0.00 0.00 0.00 79 G 6.89 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 80 L 8.07 5.14 0.00 1.57 1.26 1.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 81 E 9.55 4.71 0.00 2.11 1.90 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 2.30 2.25 0.00 82 T 8.14 4.58 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 1.15 0.00 0.00 83 E 9.32 3.92 0.00 2.15 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 2.32 2.43 0.00 84 D 8.01 4.40 0.00 2.69 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 85 D 7.82 4.72 0.00 2.64 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 86 Y 7.46 5.00 0.00 2.99 2.69 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 87 S 8.01 4.51 0.00 4.08 3.92 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 88 Y 8.30 4.39 0.00 3.09 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 89 Q 9.56 4.12 0.00 1.58 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.84 0.00 0.00 0.00 0.00 0.00 2.36 2.57 0.00 89A G 6.43 3.34 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 0.00 89 H 9.66 4.51 0.00 2.75 2.87 0.00 7.24 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 89A M 6.38 3.86 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 93 Q 8.86 4.64 0.00 2.30 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.74 0.00 0.00 0.00 0.00 0.00 2.37 2.68 0.00 94 S 8.49 4.30 0.00 3.91 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 95 C 8.85 4.47 0.00 3.17 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 96 Q 8.98 4.54 0.00 1.30 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.59 0.00 0.00 0.00 0.00 0.00 2.19 2.45 0.00 97 F 8.36 4.42 0.00 3.15 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 98 S 8.36 4.15 0.00 3.55 3.35 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 99 A 8.46 4.04 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 0.00 100 E 7.87 3.93 0.00 2.06 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 2.17 2.24 0.00 101 K 7.86 4.11 0.00 1.59 1.77 0.00 1.64 0.00 0.00 1.62 0.00 0.00 3.09 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.26 1.35 7.81 102 A 7.04 4.09 1.07 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 0.00 103 K 8.15 4.27 0.00 1.60 1.66 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.41 7.81 *105 V 7.34 2.73 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 0.91 0.00 0.00 -0.05 0.00 0.00 106 Y 7.89 5.02 0.00 3.08 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 0.00 107 I 8.48 4.70 1.95 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.67 1.01 0.00 0.00 108 Q 8.34 4.53 0.00 2.17 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.79 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 109 D 7.66 4.45 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 0.00 110 S 8.17 4.44 0.00 3.24 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 0.00 111 V 7.75 4.47 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 0.78 0.00 0.00 0.86 0.00 0.00 112 E 8.53 4.43 0.00 1.91 1.83 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 2.24 2.30 0.00 113 L 7.87 4.32 0.00 1.33 1.23 -0.44 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 114 S 8.22 4.20 0.00 3.82 3.77 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 0.00 115 Q 8.40 4.32 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.66 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 116 N 8.24 4.66 0.00 2.83 2.70 0.00 0.00 7.15 7.90 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 0.00 117 E 8.78 4.06 0.00 2.07 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 2.42 2.38 0.00 118 Q 8.01 3.99 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 119 K 8.01 4.12 0.00 1.99 1.89 0.00 1.77 0.00 0.00 1.85 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.55 1.49 7.81 120 L 8.10 4.09 0.00 1.91 1.76 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 121 A 8.31 4.06 1.44 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 0.00 0.00 122 A 8.05 3.92 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 0.00 123 W 8.43 3.89 0.00 3.58 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 0.00 124 L 8.87 4.83 0.00 2.11 2.05 1.17 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.00 0.00 125 A 7.91 2.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 K 7.38 4.08 0.00 1.50 1.63 0.00 1.61 0.00 0.00 1.53 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.14 1.29 7.81 127 R 8.25 3.99 0.00 0.67 0.73 0.00 2.21 0.00 0.00 2.34 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.81 0.00 128 G 8.32 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 0.00 0.00 0.00 129 P 0.00 4.58 0.00 2.09 2.13 0.00 3.35 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.20 0.00 130 I 8.23 4.50 1.94 0.00 0.00 1.00 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 1.06 0.79 0.00 0.00 131 S 8.62 4.39 0.00 3.95 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 0.00 132 V 8.17 4.51 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 0.79 0.00 0.00 0.95 0.00 0.00 133 A 8.47 4.80 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 0.00 134 I 7.84 4.67 1.87 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.76 0.91 0.00 0.00 135 N 8.60 4.52 0.00 2.72 2.81 0.00 0.00 6.96 7.96 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 0.00 136 A 8.53 4.22 1.27 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 *139 F 8.17 4.70 0.00 3.11 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 0.00 140 G 7.94 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 0.00 0.00 0.00 141 M 7.70 4.46 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.20 0.00 142 Q 8.03 3.78 0.00 1.65 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 7.47 0.00 0.00 0.00 0.00 0.00 1.16 1.25 0.00 143 F 7.23 4.91 0.00 3.06 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 0.00 144 Y 7.74 4.39 0.00 3.01 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 0.00 145 R 7.27 4.15 0.00 1.40 1.69 0.00 3.17 0.00 0.00 3.20 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.46 0.00 146 H 6.91 4.04 0.00 3.07 3.12 0.00 5.72 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 0.00 147 G 8.89 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 0.00 0.00 0.00 148 I 7.91 4.15 1.93 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.66 0.95 0.00 0.00 149 S 8.46 4.16 0.00 3.90 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 *152 R 8.08 4.50 0.00 1.88 1.94 0.00 3.15 0.00 0.00 3.91 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.66 0.00 153 P 0.00 4.51 0.00 2.30 2.46 0.00 3.83 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.17 0.00 154A L 8.88 3.89 0.00 1.64 1.64 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 155A R 8.38 3.81 0.00 1.82 1.91 0.00 3.31 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 156A P 0.00 4.37 0.00 2.15 1.99 0.00 3.72 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 1.93 1.94 0.00 * Residues marked with a * may have inaccurate shift predictions.