NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.4558 8.3349 115.4016 57.6864 64.4235 172.9421 5 F 5.0792 7.8967 119.1457 53.8771 41.3515 172.7176 6 P 4.8342 0.0000 0.0000 62.1106 33.4821 175.2709 7 T 4.5606 8.2525 107.4872 61.0070 71.4728 173.0966 8 R 4.9370 8.5273 123.9630 54.5428 32.7439 174.0990 9 V 4.5331 8.4474 126.9010 61.1607 33.9797 173.7447 10 Y 5.0749 8.6707 125.4468 56.2992 40.9967 175.0436 11 L 4.7366 8.9798 122.4454 53.0895 45.4112 174.9245 12 L 5.6709 8.5142 126.5775 52.3031 44.7177 175.0529 13 R 4.8554 8.6062 126.4913 54.8106 32.0868 175.0929 14 H 4.4584 8.2561 121.4128 56.3318 29.7335 175.1348 15 A 4.8362 8.1428 121.7187 50.9034 20.7337 176.4769 16 K 4.1111 8.2672 117.7666 56.6495 32.8946 176.7086 17 A 4.7290 8.6209 129.5915 51.1235 19.3769 176.7862 18 A 4.0096 8.5011 123.9860 51.6393 19.0919 177.9394 19 W 4.3852 8.0890 116.6965 55.8503 29.1342 176.0162 20 A 4.1757 8.6225 122.6419 52.1799 18.6707 176.9793 21 A 4.6049 8.4225 124.7958 49.7482 20.5330 175.1012 22 P 4.2953 0.0000 0.0000 64.4747 31.7271 177.1412 23 G 3.9365 8.9842 110.8293 45.3010 0.0000 172.9823 24 E 4.4279 7.5589 119.7884 54.9561 31.0676 175.2940 25 R 4.6138 8.0560 118.2503 54.4855 31.5483 177.0461 26 D 4.3683 8.7370 119.2307 57.3303 41.7242 178.0122 27 F 3.7609 8.5048 120.9535 60.6220 39.2450 175.5999 28 D 5.0586 8.0015 118.5778 53.8413 41.0447 175.9685 29 R 4.2389 7.6262 118.6850 55.5919 31.0833 176.9013 30 G 4.0287 8.1603 109.6990 44.7806 0.0000 172.4741 31 L 4.5989 8.3434 120.1248 54.3354 42.6480 177.2185 32 N 4.6104 8.4132 119.8827 51.6960 39.9063 175.6828 33 E 4.1236 9.0333 117.3590 59.9677 29.3098 179.5806 34 A 4.1373 8.0508 119.9961 54.9951 18.4362 179.7274 35 G 3.4520 7.9481 103.6643 47.9461 0.0000 175.3956 36 F 4.3274 7.9526 120.6270 60.3478 38.9348 177.6266 37 A 3.9920 8.0383 119.3893 55.4118 18.2653 179.1478 38 E 3.8993 8.4044 116.8746 59.8879 29.5892 179.9046 39 A 4.1459 8.2840 120.3548 55.0664 18.4790 179.2420 40 E 3.8217 8.2302 117.8328 59.4894 29.6926 178.9124 41 I 3.6351 7.9115 119.8424 64.5288 37.2280 178.4544 42 I 3.6577 7.8769 120.0253 64.4500 36.8963 178.2862 43 A 2.5800 7.7155 121.4475 54.7799 17.9909 179.5006 44 D 3.9252 7.9313 117.2397 57.0968 40.6600 178.4687 45 L 3.7539 7.7602 119.7972 58.3031 42.4101 178.8917 46 A 4.0631 8.3316 120.0255 54.4607 17.6479 178.8737 47 A 3.5765 7.0531 118.9835 53.7983 18.7752 178.7399 48 D 4.4073 7.5728 115.8567 55.9308 40.8894 176.9801 49 R 4.2514 6.7889 115.3318 54.5762 31.7834 175.2033 50 R 4.0088 7.8182 115.2711 57.8547 27.5750 175.9406 51 Y 5.1603 8.0014 110.6415 56.9039 38.1394 177.4626 52 R 3.3143 7.9387 120.7513 54.4746 30.4501 173.8157 53 P 5.2915 0.0000 0.0000 61.9219 32.5058 175.7712 54 D 4.5990 8.5863 119.5909 56.2176 42.0697 177.0161 55 L 4.6948 7.6483 120.2567 53.5507 45.7138 174.7437 56 I 4.3955 8.6249 127.6870 59.6724 39.2912 174.6589 57 L 4.7446 8.2799 127.6547 53.1492 43.4803 175.3091 58 S 5.0129 8.6128 119.4962 55.8272 65.5413 173.4745 59 S 5.0626 9.0264 121.0851 58.3203 62.5985 174.4360 60 T 4.1492 8.8887 113.6672 63.1935 69.8130 174.7964 61 A 2.0000 7.4851 125.1149 50.9916 20.1144 177.9118 62 A 3.6959 7.7609 125.7891 55.4898 18.2391 180.8479 63 R 3.7841 7.6303 113.8617 59.3913 29.6204 178.7775 64 C 4.0316 7.7975 116.9292 62.5163 28.2126 175.7733 65 R 4.0451 7.6785 119.2067 59.7702 29.2802 179.2601 66 Q 4.1182 8.0696 117.1659 58.8769 28.4498 178.9421 67 T 4.1500 7.3922 116.6193 66.4798 68.7643 176.9897 68 T 3.8473 8.1253 117.8491 66.7531 68.3892 176.3432 69 Q 4.3160 8.6575 120.9172 58.4336 28.7670 178.6609 70 A 4.0989 7.8259 120.9139 55.5417 18.2731 179.8512 71 W 4.2511 8.5201 116.9451 59.9233 28.5410 178.8531 72 Q 4.1456 8.4234 118.3660 58.7998 27.8954 178.7702 73 R 3.8903 8.2265 118.8742 59.5474 30.3304 178.2858 74 A 3.9004 8.0666 119.1180 54.4769 18.2923 178.7304 75 F 4.3080 7.9648 115.0908 57.1734 40.2056 175.9301 76 N 4.1361 8.1187 114.0602 54.3490 36.4353 174.6572 *78 G 3.7743 7.9525 101.3976 45.2050 0.0000 173.5901 79 I 3.8251 7.8669 121.2856 60.7133 37.7504 175.7769 80 D 4.4808 8.7631 128.1608 54.2038 42.3592 174.6852 81 I 4.7547 8.3076 126.1879 59.3880 40.0081 174.8360 82 V 4.2753 8.8647 127.3064 61.1601 34.1658 173.6085 83 Y 5.1003 8.5265 125.1672 56.6711 39.2500 174.9349 84 I 4.4728 8.7723 125.3055 59.4570 39.6455 176.2007 85 D 4.6895 9.0652 126.9392 56.8460 41.3709 176.5194 86 E 3.8754 8.2059 119.7803 56.6005 30.1591 176.3003 *88 Y 4.4537 7.7898 117.9733 58.9898 40.2557 174.3289 89 N 3.8351 8.3898 122.2393 54.2960 35.9136 171.9783 90 A 4.6623 7.1543 119.1014 50.0176 22.6932 175.9220 91 R 4.5260 7.9649 111.3592 54.3612 33.3927 176.4524 92 S 3.8938 8.3659 113.3416 61.7634 62.1078 176.3014 93 E 4.0016 8.0415 120.6138 59.6591 29.0630 179.0748 94 T 3.9244 7.8796 114.1996 66.9339 68.8683 175.7804 95 Y 4.3383 7.7753 118.4686 61.2092 37.9364 178.3313 96 L 4.0353 8.4442 120.3104 58.1939 41.5177 179.8682 97 S 4.1786 8.1592 113.9688 61.5342 62.7679 176.4156 98 L 4.2037 7.6336 120.5317 57.3496 41.7200 179.2088 99 I 3.7800 7.6638 119.1329 64.4743 37.0291 177.9358 100 A 4.0886 7.9331 120.0424 55.0237 18.1347 178.6429 101 A 4.5309 7.8447 117.0747 52.1658 21.1563 177.8757 102 Q 4.3903 7.7515 118.2875 54.9881 27.4772 175.4726 103 T 4.9241 7.8588 106.6731 60.7787 69.4292 175.6961 104 E 4.8967 7.9029 119.0993 56.2429 30.8987 175.6227 105 V 4.4747 7.9280 117.7824 61.1761 34.6000 175.5896 106 Q 2.6285 8.5288 128.2627 58.3090 30.5554 175.3021 107 S 5.4755 7.9278 114.1745 57.3645 65.4360 172.7628 108 V 5.6230 7.7877 128.8955 59.0571 35.1879 173.4646 *110 L 4.2086 8.3286 118.2909 55.1598 43.3688 176.2150 111 V 4.3560 8.5101 124.7497 61.6394 32.6288 174.2076 112 G 4.6986 8.5473 117.1115 44.9165 0.0000 169.7017 113 H 5.1174 9.0383 115.1601 53.6906 32.2558 173.3916 114 N 4.7225 8.4319 119.3366 52.4857 39.1326 173.9457 115 P 4.3639 0.0000 0.0000 64.7518 32.0898 178.1945 116 T 3.5229 7.1952 114.8677 65.2789 69.1520 174.8830 *118 E 4.3380 8.3021 123.1962 56.2803 31.4470 177.7999 119 A 4.1266 7.6990 120.1437 55.1609 18.0513 179.5289 120 T 3.8003 8.0385 114.0774 67.1161 68.6833 175.7303 121 L 3.9752 8.0889 119.8431 58.5253 42.3627 177.8243 122 E 4.0772 8.9415 118.7594 59.5366 29.2895 179.5478 123 A 4.1860 7.7078 116.0811 52.6980 18.1373 177.6483 *125 I 3.9540 7.5651 111.6418 61.4969 39.1523 174.3285 126 G 4.1399 7.7985 110.9302 45.4629 0.0000 175.4751 127 E 3.9208 8.4478 118.3055 58.7451 30.2373 178.9955 128 D 4.3331 8.0530 119.9003 57.3038 41.0343 177.9093 129 L 3.9297 7.9460 120.2202 58.3204 41.8161 178.4953 130 L 3.9013 7.6528 120.3093 58.5821 42.2245 178.7073 131 H 3.6623 7.9231 115.2901 58.4116 28.4306 177.2180 132 A 4.3193 7.6292 121.2404 53.6080 18.8961 178.9645 133 A 4.1354 7.8696 118.9249 53.7049 20.3719 177.9788 134 L 4.5854 8.4489 117.1268 52.0946 41.7794 175.4651 135 P 4.4594 0.0000 0.0000 63.9981 32.1241 177.6094 136 S 4.6541 7.9502 112.0539 57.4561 63.2413 174.9940 137 G 3.9896 7.9101 103.9838 46.4292 0.0000 173.5411 138 F 4.2914 9.3388 122.5582 56.6895 38.8192 173.7666 139 P 4.7651 0.0000 0.0000 61.9320 32.4018 175.8008 140 T 4.1537 8.3452 108.2905 62.4431 69.6205 174.2910 141 S 4.6700 7.7724 115.8732 57.9901 61.8663 172.3644 142 G 4.0662 7.8623 105.8567 45.5127 0.0000 173.4206 143 L 4.7684 9.2794 128.0765 53.0678 44.0010 174.9566 144 A 4.1701 8.2898 129.3187 51.0509 20.4279 176.0342 145 V 4.3612 8.2026 121.1367 61.0330 34.3368 174.0065 146 L 5.2411 8.9899 128.7501 53.0569 44.7928 175.2816 147 D 5.3697 9.0302 123.4713 52.5538 43.0512 176.0221 148 Q 2.9103 8.5349 121.6490 56.3977 29.5122 177.3685 *158 R 4.0210 8.4698 120.8489 56.1531 30.4554 175.1814 159 W 4.7735 8.6923 122.4992 55.0117 31.5549 175.3826 160 R 4.6070 9.2025 119.8907 54.4865 31.9867 174.3721 161 L 4.4210 8.7365 129.0542 55.1563 41.5665 175.9207 162 I 4.1914 8.7121 128.8958 63.3707 38.2081 175.2352 163 D 4.8886 7.7074 118.6631 53.4247 45.0506 174.3138 164 F 4.5409 8.5532 120.5433 57.3386 42.0607 172.8890 165 L 4.9687 8.8594 127.1570 53.0108 43.8164 175.5222 166 A 4.8856 8.6309 124.6711 49.0929 22.6040 173.9720 167 P 4.4028 0.0000 0.0000 62.9700 31.4075 176.6537 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 S 8.33 4.46 0.00 4.03 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 5 F 7.90 5.08 0.00 3.20 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 6 P 0.00 4.83 0.00 2.10 2.16 0.00 3.29 0.00 0.00 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.96 0.00 7 T 8.25 4.56 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 1.39 0.00 0.00 8 R 8.53 4.94 0.00 1.72 1.65 0.00 2.99 0.00 0.00 2.93 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.98 0.00 9 V 8.45 4.53 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 0.50 0.00 0.00 0.43 0.00 0.00 10 Y 8.67 5.07 0.00 2.79 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 11 L 8.98 4.74 0.00 1.62 1.63 0.91 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 12 L 8.51 5.67 0.00 1.37 1.29 1.04 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 13 R 8.61 4.86 0.00 1.52 1.95 0.00 3.12 0.00 0.00 3.55 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.38 0.00 14 H 8.26 4.46 0.00 3.29 3.34 0.00 5.31 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 A 8.14 4.84 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 16 K 8.27 4.11 0.00 2.07 1.75 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.41 7.81 17 A 8.62 4.73 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 18 A 8.50 4.01 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 0.00 0.00 0.00 0.00 0.00 19 W 8.09 4.39 0.00 3.37 3.31 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 20 A 8.62 4.18 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 21 A 8.42 4.60 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 22 P 0.00 4.30 0.00 2.04 2.01 0.00 3.70 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 23 G 8.98 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 24 E 7.56 4.43 0.00 1.94 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 0.00 2.33 2.32 0.00 25 R 8.06 4.61 0.00 2.11 2.08 0.00 3.05 0.00 0.00 3.29 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 26 D 8.74 4.37 0.00 2.90 2.96 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 27 F 8.50 3.76 0.00 2.87 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 28 D 8.00 5.06 0.00 2.87 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 29 R 7.63 4.24 0.00 1.90 1.84 0.00 3.22 0.00 0.00 3.41 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.61 0.00 30 G 8.16 4.03 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 0.00 0.00 0.00 31 L 8.34 4.60 0.00 0.27 0.98 0.68 0.77 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 32 N 8.41 4.61 0.00 2.61 2.76 0.00 0.00 7.12 7.23 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 33 E 9.03 4.12 0.00 2.03 2.10 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 2.47 2.43 0.00 34 A 8.05 4.14 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 35 G 7.95 3.45 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 36 F 7.95 4.33 0.00 3.31 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 37 A 8.04 3.99 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 38 E 8.40 3.90 0.00 2.26 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 2.39 2.52 0.00 39 A 8.28 4.15 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 40 E 8.23 3.82 0.00 2.11 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 0.00 2.28 2.32 0.00 41 I 7.91 3.64 1.88 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 1.51 0.52 0.91 0.00 0.00 42 I 7.88 3.66 2.12 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.26 1.18 0.00 0.00 43 A 7.72 2.58 0.55 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 0.00 0.00 44 D 7.93 3.93 0.00 2.83 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 45 L 7.76 3.75 0.00 1.64 1.80 0.84 0.97 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 46 A 8.33 4.06 1.14 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 47 A 7.05 3.58 0.25 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 0.00 0.00 48 D 7.57 4.41 0.00 2.70 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 49 R 6.79 4.25 0.00 1.10 0.66 0.00 2.96 0.00 0.00 2.90 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.37 0.00 50 R 7.82 4.01 0.00 2.05 2.10 0.00 3.37 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 1.50 1.59 0.00 51 Y 8.00 5.16 0.00 3.33 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 52 R 7.94 3.31 0.00 1.85 1.87 0.00 3.32 0.00 0.00 3.29 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.23 0.00 53 P 0.00 5.29 0.00 2.14 1.99 0.00 2.88 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.58 0.00 54 D 8.59 4.60 0.00 2.69 2.74 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 55 L 7.65 4.69 0.00 1.67 1.41 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 56 I 8.62 4.40 1.68 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.61 0.66 0.00 0.00 57 L 8.28 4.74 0.00 1.40 1.44 0.84 0.63 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 58 S 8.61 5.01 0.00 3.63 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 59 S 9.03 5.06 0.00 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 0.00 60 T 8.89 4.15 4.69 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 1.41 0.00 0.00 61 A 7.49 2.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 A 7.76 3.70 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 63 R 7.63 3.78 0.00 1.88 2.12 0.00 2.45 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.48 0.00 64 C 7.80 4.03 0.00 3.20 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 65 R 7.68 4.05 0.00 1.94 1.88 0.00 2.87 0.00 0.00 2.87 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.49 0.00 66 Q 8.07 4.12 0.00 2.05 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.79 0.00 0.00 0.00 0.00 0.00 2.48 2.53 0.00 67 T 7.39 4.15 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 1.25 0.00 0.00 68 T 8.13 3.85 4.58 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 1.22 0.00 0.00 69 Q 8.66 4.32 0.00 2.38 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.71 0.00 0.00 0.00 0.00 0.00 2.47 2.64 0.00 70 A 7.83 4.10 1.63 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 71 W 8.52 4.25 0.00 3.43 3.44 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 72 Q 8.42 4.15 0.00 2.35 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.82 0.00 0.00 0.00 0.00 0.00 2.46 2.46 0.00 73 R 8.23 3.89 0.00 1.83 2.11 0.00 3.27 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 74 A 8.07 3.90 1.03 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 0.00 0.00 75 F 7.96 4.31 0.00 3.12 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 N 8.12 4.14 0.00 2.90 2.90 0.00 0.00 6.96 7.67 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 *78 G 7.95 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 79 I 7.87 3.83 1.84 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.59 0.86 0.00 0.00 80 D 8.76 4.48 0.00 2.74 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 81 I 8.31 4.75 1.77 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 1.05 0.69 0.28 0.00 0.00 82 V 8.86 4.28 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 1.00 0.00 0.00 0.88 0.00 0.00 83 Y 8.53 5.10 0.00 2.94 2.91 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 84 I 8.77 4.47 1.91 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 1.13 1.03 1.00 0.00 0.00 85 D 9.07 4.69 0.00 2.68 2.74 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 86 E 8.21 3.88 0.00 2.06 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 2.37 2.39 0.00 *88 Y 7.79 4.45 0.00 3.00 3.15 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 89 N 8.39 3.84 0.00 2.52 2.54 0.00 0.00 6.77 7.35 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 90 A 7.15 4.66 1.25 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 0.00 0.00 91 R 7.96 4.53 0.00 1.94 1.96 0.00 2.97 0.00 0.00 3.23 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.67 0.00 92 S 8.37 3.89 0.00 3.82 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 93 E 8.04 4.00 0.00 2.05 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 2.38 2.38 0.00 94 T 7.88 3.92 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 1.35 0.00 0.00 95 Y 7.78 4.34 0.00 3.08 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 96 L 8.44 4.04 0.00 1.75 1.78 0.97 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 97 S 8.16 4.18 0.00 4.12 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 98 L 7.63 4.20 0.00 1.75 1.66 0.91 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 99 I 7.66 3.78 1.97 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.51 0.92 0.00 0.00 100 A 7.93 4.09 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 0.00 101 A 7.84 4.53 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 0.00 102 Q 7.75 4.39 0.00 2.11 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.93 0.00 0.00 0.00 0.00 0.00 2.55 2.25 0.00 103 T 7.86 4.92 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 1.29 0.00 0.00 104 E 7.90 4.90 0.00 2.04 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 2.23 2.23 0.00 105 V 7.93 4.47 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 1.01 0.00 0.00 0.96 0.00 0.00 106 Q 8.53 2.63 0.00 1.84 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.59 0.00 0.00 0.00 0.00 0.00 2.14 1.58 0.00 107 S 7.93 5.48 0.00 3.83 3.60 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.79 5.62 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 1.15 0.00 0.00 0.83 0.00 0.00 *110 L 8.33 4.21 0.00 1.37 1.21 0.53 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 111 V 8.51 4.36 1.93 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 0.91 0.00 0.00 0.60 0.00 0.00 112 G 8.55 4.70 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 0.00 0.00 0.00 113 H 9.04 5.12 0.00 3.15 3.22 0.00 5.62 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 N 8.43 4.72 0.00 2.68 2.72 0.00 0.00 7.00 8.02 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 0.00 115 P 0.00 4.36 0.00 2.23 2.26 0.00 3.36 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 116 T 7.20 3.52 3.53 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 0.19 0.00 0.00 *118 E 8.30 4.34 0.00 2.25 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 0.00 2.33 2.44 0.00 119 A 7.70 4.13 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 0.00 120 T 8.04 3.80 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 1.22 0.00 0.00 121 L 8.09 3.98 0.00 1.90 1.82 1.10 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.94 4.08 0.00 2.03 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 0.00 2.32 2.35 0.00 123 A 7.71 4.19 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 *125 I 7.57 3.95 1.92 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 1.55 0.67 0.98 0.00 0.00 126 G 7.80 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 0.00 127 E 8.45 3.92 0.00 2.11 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 2.36 2.32 0.00 128 D 8.05 4.33 0.00 2.71 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 0.00 129 L 7.95 3.93 0.00 1.72 1.79 0.93 0.49 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 0.00 130 L 7.65 3.90 0.00 1.70 1.76 0.82 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 131 H 7.92 3.66 0.00 3.23 3.31 0.00 5.68 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 A 7.63 4.32 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 0.00 133 A 7.87 4.14 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 0.00 134 L 8.45 4.59 0.00 1.45 1.53 0.54 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 135 P 0.00 4.46 0.00 2.01 2.11 0.00 3.60 0.00 0.00 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.18 0.00 136 S 7.95 4.65 0.00 3.93 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 0.00 137 G 7.91 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 0.00 0.00 0.00 138 F 9.34 4.29 0.00 3.19 2.89 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 0.00 139 P 0.00 4.77 0.00 2.33 2.13 0.00 3.85 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.99 0.00 140 T 8.35 4.15 4.26 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 1.23 0.00 0.00 141 S 7.77 4.67 0.00 4.04 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 0.00 142 G 7.86 4.07 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 0.00 143 L 9.28 4.77 0.00 1.81 1.61 0.90 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 144 A 8.29 4.17 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 0.00 145 V 8.20 4.36 1.96 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 0.60 0.00 0.00 0.59 0.00 0.00 146 L 8.99 5.24 0.00 1.17 1.51 0.65 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 147 D 9.03 5.37 0.00 2.71 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.53 2.91 0.00 1.71 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.55 0.00 0.00 0.00 0.00 0.00 1.16 1.95 0.00 *158 R 8.47 4.02 0.00 1.76 1.95 0.00 3.16 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 159 W 8.69 4.77 0.00 3.20 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 0.00 160 R 9.20 4.61 0.00 1.84 1.97 0.00 3.11 0.00 0.00 3.12 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 161 L 8.74 4.42 0.00 1.75 1.65 1.02 1.27 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 0.00 162 I 8.71 4.19 1.97 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 1.30 0.59 0.97 0.00 0.00 163 D 7.71 4.89 0.00 2.77 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 0.00 164 F 8.55 4.54 0.00 3.07 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 0.00 165 L 8.86 4.97 0.00 1.66 1.63 1.14 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 166 A 8.63 4.89 1.35 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 0.00 167 P 0.00 4.40 0.00 2.11 2.03 0.00 3.81 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.16 0.00 * Residues marked with a * may have inaccurate shift predictions.