NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.5694 8.3649 120.3135 53.0510 41.0681 174.8816 6 C 4.3264 7.8596 116.4868 58.1495 29.7461 173.4244 7 C 4.4255 8.1936 123.1656 55.3238 43.7761 173.6441 8 S 4.4678 8.2920 122.1581 57.6679 65.0313 174.2157 9 Y 3.9549 8.4823 121.9886 60.6957 38.4587 177.6401 10 E 4.0083 8.2284 119.1743 59.4109 29.6353 178.6363 11 D 4.3567 8.2871 119.1056 57.6469 40.9364 179.2507 12 R 3.8206 7.9194 118.2747 59.2058 29.8755 179.1742 13 R 3.7997 7.8446 118.4595 59.3451 30.1530 178.3751 14 E 4.0498 8.6337 118.8854 59.6158 29.4232 179.4851 15 I 4.0395 8.2912 120.2450 64.2655 36.9039 178.5732 16 R 4.0363 7.8118 118.3584 59.6749 30.0860 178.1407 17 H 4.3478 8.2126 117.6855 59.3033 29.8169 176.9752 18 I 3.6480 7.7578 121.2946 64.5651 37.1536 177.9986 19 W 4.1667 8.9192 129.1248 60.6603 30.2807 177.5090 20 D 4.5096 7.9761 118.0146 57.1497 40.2547 177.8301 21 D 4.5520 7.9745 118.2772 56.0315 41.3773 178.7926 22 V 3.5919 7.2772 111.8241 62.3499 33.1901 176.8825 23 W 4.2775 7.0557 129.5059 55.8631 29.8574 175.3056 24 S 4.8291 7.7101 127.4218 58.3729 60.7929 175.7222 25 S 3.7968 7.5523 111.5880 55.0296 65.0969 172.7280 26 S 4.5549 8.4996 115.2844 58.8662 63.2811 173.6825 27 F 4.7611 7.5659 117.9382 56.8293 41.3022 176.2422 28 T 4.1469 8.2917 111.3417 63.1453 69.1236 176.5774 29 D 4.4292 8.1176 122.2374 57.6984 40.8490 178.9831 30 R 3.7834 7.8058 118.4108 59.3309 29.7163 178.4860 31 R 3.8248 7.5678 115.3721 58.6457 29.6487 178.4106 32 V 3.5329 8.7666 119.6845 66.1057 31.4778 177.9991 33 A 3.9564 7.9595 120.1151 54.9669 18.0929 179.7315 34 I 3.5051 7.6029 118.3304 64.6322 37.1920 178.9131 35 V 3.4106 7.4225 118.4181 65.6741 31.2435 177.8315 36 R 3.9652 8.2800 118.6254 59.5492 29.8402 178.3526 37 A 3.9180 7.8779 120.3454 54.9964 18.3149 179.5521 38 V 3.0798 7.6477 116.9546 66.1874 31.4174 178.3764 39 F 3.5255 7.8974 117.3375 60.2433 38.6765 177.2149 40 D 4.4973 8.3711 119.0265 57.5465 40.7583 178.5078 41 D 4.3247 8.1447 118.3825 57.2501 41.1465 177.8790 42 L 4.0175 7.6299 120.7570 58.5281 42.0211 179.1343 43 F 4.6116 8.2751 117.7468 60.2756 38.5554 177.6958 44 K 4.0289 8.2661 119.0570 59.2913 32.0945 177.8205 45 H 4.6242 8.2043 114.2237 56.0086 30.8635 175.3459 46 Y 4.8987 8.3626 118.7603 54.6768 38.8839 173.8024 47 P 4.9046 0.0000 0.0000 65.1746 31.9664 178.3658 48 T 4.1573 8.1244 108.9435 63.8066 68.7937 176.2469 49 S 3.8411 8.2816 117.9060 60.9305 62.8767 176.0026 50 K 3.2575 7.9690 122.9396 59.2009 31.4594 178.2269 51 A 4.0578 7.4117 118.8895 54.1777 18.4077 178.8243 52 L 4.0627 7.8142 116.2282 56.0398 41.8005 177.5440 53 F 4.8412 7.5159 117.8698 57.1933 39.6931 177.4946 54 E 4.0202 8.1788 123.8323 59.2578 29.5755 179.3545 55 R 3.9163 7.9996 118.0951 58.8889 30.3737 177.1508 56 V 4.1832 7.8622 109.2836 60.5168 32.2350 175.7012 57 K 4.4197 8.2674 117.7825 56.5830 29.2857 177.4604 58 I 2.3325 7.4304 112.8458 63.4066 38.1063 177.5174 59 D 4.3447 7.9731 120.0975 55.3747 39.6352 175.2609 60 E 4.6640 7.8823 119.9872 53.3316 29.3403 174.5285 61 P 4.1530 0.0000 0.0000 64.4841 31.8886 177.9060 62 E 4.7115 7.9481 117.4847 56.1516 29.8287 176.9843 63 S 4.1982 8.2299 116.6378 59.8755 63.7454 174.4163 64 G 4.4233 8.6859 113.1500 46.0312 0.0000 175.4260 65 E 4.0693 8.2320 118.7437 58.9889 29.5493 178.8137 66 F 4.4904 8.2259 122.8608 60.3085 39.4367 177.4946 67 K 3.9035 8.0810 118.0373 59.3647 31.9448 179.3152 68 S 4.1117 8.5491 114.9918 61.6726 62.8036 176.0448 69 H 4.1533 8.0591 121.3288 58.9939 29.5057 177.2351 70 L 3.8416 7.5130 120.8150 57.7499 41.3699 179.7063 71 V 3.6391 7.9849 118.2958 66.0001 31.3796 178.1935 72 R 3.9872 8.4067 118.3658 59.2880 29.8094 179.2605 73 V 3.7139 7.9500 117.7545 65.9084 31.5953 177.6492 74 A 4.4502 8.4241 120.6822 55.8886 18.3488 179.4719 75 N 4.6703 9.5144 115.0835 56.1865 38.6052 178.0097 76 G 3.6671 8.4589 107.5756 47.7884 0.0000 175.4913 77 L 3.9255 8.4112 123.7393 57.6143 42.1610 178.8062 78 K 3.4307 8.4313 119.9882 59.1270 31.6071 178.4278 79 L 3.7594 7.9398 119.9837 58.0591 42.3553 178.4650 80 L 4.0043 7.6988 118.7696 57.9611 41.5749 179.6812 81 I 3.4147 7.4697 119.6406 64.2841 36.7401 177.7230 82 N 4.5047 7.6702 112.8695 53.9031 38.4778 175.4833 83 L 4.5862 7.5139 120.0828 54.3002 43.2235 178.1157 84 L 4.0595 7.6254 118.8850 56.6649 41.5268 177.1443 85 D 4.8438 7.8833 115.7349 53.9249 42.3000 175.7242 86 D 4.9328 8.1921 118.6648 52.4572 41.0737 176.2233 87 T 3.8466 7.8948 113.4581 64.6268 69.0364 176.6117 88 L 3.9587 7.7808 121.3401 57.4958 41.8041 179.1628 89 V 3.5433 7.7192 117.7449 65.7992 31.3619 177.4502 90 L 3.8512 8.1702 120.3566 58.2898 41.7047 178.4812 91 Q 3.8910 8.0435 118.2481 59.3905 29.0934 178.3861 92 S 4.1714 7.9659 113.6829 61.8045 62.4884 175.4554 93 H 4.1146 8.6033 121.3239 59.2468 29.5331 176.7622 94 L 3.9019 8.3193 122.6044 58.0943 41.8116 179.2655 95 G 3.5701 7.8761 105.4133 47.8933 0.0000 175.2276 96 H 4.0935 7.9455 120.0888 59.0145 30.0625 177.0083 97 L 4.1592 8.0532 122.0785 57.8803 41.7882 178.7443 98 A 4.1126 7.8892 122.1365 54.8501 18.2495 179.4059 99 D 4.3250 8.1875 117.3445 57.5833 40.5969 179.0915 100 Q 3.9735 7.9318 117.8678 59.1158 28.9530 178.0411 101 H 4.5366 8.2146 116.6284 58.4338 28.7653 177.6696 102 I 3.8105 8.0365 121.4035 64.2587 36.9478 177.4152 103 Q 4.6172 7.5873 116.2838 55.1017 28.8562 175.8817 104 R 4.4422 7.7095 120.8791 53.8753 31.2205 175.0864 105 K 4.0976 8.3787 124.7292 57.3363 32.8799 176.4978 106 G 4.1424 8.9707 113.3691 45.7089 0.0000 174.1074 107 V 4.0488 7.3896 120.4828 62.8174 31.8872 175.6410 108 T 4.7604 8.3596 116.5083 59.1048 73.1013 174.8633 109 K 3.9869 8.4603 120.1560 59.5874 31.9162 179.1001 110 E 3.8983 8.0115 119.0203 59.6181 29.5314 178.3840 111 Y 4.1252 7.4867 116.3642 61.1019 37.9855 178.6082 112 F 4.0489 8.2209 118.9820 60.0881 38.9968 177.6983 113 R 4.0763 8.3949 118.8620 59.5289 29.8138 178.8295 114 G 3.6806 8.0110 105.5648 48.6263 0.0000 175.5268 115 I 3.7303 8.2103 121.4128 63.5359 38.0398 178.2780 116 G 3.8106 8.2150 106.4935 48.0341 0.0000 175.6400 117 E 4.1267 8.4428 121.1109 58.7547 29.4581 179.2740 118 A 4.1712 8.2447 121.1223 55.3273 18.3993 179.7276 119 F 3.8194 8.3555 116.1776 60.5957 38.7358 177.8543 120 A 4.2088 7.9612 119.1214 54.7386 18.2043 179.2358 121 R 4.0472 7.6919 116.5186 58.8786 30.5559 178.3517 122 V 3.7150 7.6535 117.7596 65.4666 31.7272 177.6630 123 L 3.5149 7.8264 119.3738 57.2795 41.2215 177.8385 124 P 4.3913 0.0000 0.0000 65.2784 31.1478 177.4340 125 Q 4.1744 8.1567 117.0699 57.4011 29.0016 177.3443 126 V 3.9864 7.4959 112.5662 61.0804 32.6302 176.0406 127 L 4.6686 6.8375 116.3919 53.9829 43.3136 175.7346 128 S 4.6731 8.4446 116.4145 57.8835 64.7741 172.9934 129 C 4.0634 8.4393 115.7398 60.8179 25.4316 173.3139 130 F 4.6934 8.2852 120.5838 57.4700 40.1105 175.1142 131 N 4.5046 8.0070 127.3392 51.8703 37.6451 175.2268 132 V 3.2739 7.5667 124.7702 64.0192 31.6201 178.0666 133 D 4.2550 7.9159 118.9173 57.2592 40.8253 178.1835 134 A 3.9655 7.9067 120.6983 54.8610 18.3978 179.2071 135 W 4.0497 7.9901 126.5986 60.8909 30.7902 177.9842 136 N 4.4920 8.8101 116.7995 56.1163 37.8199 177.3936 137 R 3.7716 8.0265 120.1111 59.7951 30.1708 178.0852 138 C 4.1863 7.9852 116.2747 59.7364 38.2057 175.8599 139 F 3.4687 8.1929 122.6850 61.3678 38.8790 176.9211 140 H 4.1404 8.6940 116.3255 58.7419 27.9639 177.7488 141 R 3.7855 7.6890 120.2589 59.2911 30.0058 178.5940 142 L 3.7625 7.7392 118.8391 57.8431 41.5363 179.7994 143 V 3.2445 7.6939 118.2384 65.3633 31.1032 177.6752 144 A 3.8441 8.0368 120.4478 55.2077 18.5658 179.3585 145 R 3.8440 7.3899 115.7357 59.5985 30.2973 178.6292 146 I 3.4999 7.3379 119.1331 63.8627 37.0528 177.3086 147 A 4.2473 7.4282 119.7040 51.5575 18.5481 178.6031 148 K 3.7480 7.4848 122.4941 60.0525 32.2279 177.7112 149 D 4.9698 7.7358 115.4232 54.0329 41.5231 177.1709 150 L 4.1659 7.7494 122.1653 56.8908 41.9490 175.5116 151 P 4.3911 0.0000 0.0000 63.0637 31.0139 175.8435 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 5 D 8.36 4.57 0.00 2.78 2.82 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 6 C 7.86 4.33 0.00 3.04 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 7 C 8.19 4.43 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 8 S 8.29 4.47 0.00 4.18 4.01 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 9 Y 8.48 3.95 0.00 3.10 3.02 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 0.00 0.00 0.00 0.00 10 E 8.23 4.01 0.00 2.13 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 2.45 2.55 0.00 11 D 8.29 4.36 0.00 2.81 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 12 R 7.92 3.82 0.00 1.74 1.77 0.00 3.22 0.00 0.00 3.00 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.72 0.00 13 R 7.84 3.80 0.00 1.67 2.00 0.00 3.13 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 14 E 8.63 4.05 0.00 2.29 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 2.36 2.52 0.00 15 I 8.29 4.04 2.05 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.90 1.10 0.00 0.00 16 R 7.81 4.04 0.00 2.02 2.06 0.00 3.16 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 17 H 8.21 4.35 0.00 3.25 3.51 0.00 5.82 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 18 I 7.76 3.65 2.37 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.09 1.29 0.00 0.00 19 W 8.92 4.17 0.00 3.68 3.24 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 20 D 7.98 4.51 0.00 2.82 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 21 D 7.97 4.55 0.00 2.70 2.63 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 22 V 7.28 3.59 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.00 0.00 -0.51 0.00 0.00 23 W 7.06 4.28 0.00 2.70 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 24 S 7.71 4.83 0.00 3.80 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 25 S 7.55 3.80 0.00 4.27 3.93 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 26 S 8.50 4.55 0.00 3.88 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 27 F 7.57 4.76 0.00 2.93 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 28 T 8.29 4.15 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 1.15 0.00 0.00 29 D 8.12 4.43 0.00 2.64 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 30 R 7.81 3.78 0.00 1.74 1.71 0.00 3.05 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 31 R 7.57 3.82 0.00 1.68 1.51 0.00 2.81 0.00 0.00 2.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.50 0.00 32 V 8.77 3.53 2.04 0.00 0.00 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 0.00 0.00 0.93 0.00 0.00 33 A 7.96 3.96 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 34 I 7.60 3.51 1.78 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 1.26 0.64 0.79 0.00 0.00 35 V 7.42 3.41 2.26 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 1.32 0.00 0.00 1.14 0.00 0.00 36 R 8.28 3.97 0.00 2.08 2.10 0.00 3.19 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.82 0.00 37 A 7.88 3.92 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 38 V 7.65 3.08 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 -0.11 0.00 0.00 0.12 0.00 0.00 39 F 7.90 3.53 0.00 3.06 2.40 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 40 D 8.37 4.50 0.00 2.81 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 41 D 8.14 4.32 0.00 2.68 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 42 L 7.63 4.02 0.00 1.53 1.37 0.91 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 43 F 8.28 4.61 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 44 K 8.27 4.03 0.00 1.91 2.06 0.00 1.78 0.00 0.00 1.60 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.45 7.81 45 H 8.20 4.62 0.00 3.24 3.03 0.00 5.86 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 Y 8.36 4.90 0.00 3.23 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 47 P 0.00 4.90 0.00 2.31 2.44 0.00 3.95 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 2.14 1.92 0.00 48 T 8.12 4.16 4.41 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 1.33 0.00 0.00 49 S 8.28 3.84 0.00 3.60 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 50 K 7.97 3.26 0.00 1.48 1.61 0.00 1.23 0.00 0.00 1.38 0.00 0.00 2.74 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.90 0.21 7.81 51 A 7.41 4.06 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 52 L 7.81 4.06 0.00 0.96 1.29 0.96 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 53 F 7.52 4.84 0.00 3.06 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 54 E 8.18 4.02 0.00 2.01 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 2.35 2.43 0.00 55 R 8.00 3.92 0.00 1.75 1.96 0.00 3.41 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 56 V 7.86 4.18 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 0.77 0.00 0.00 1.14 0.00 0.00 57 K 8.27 4.42 0.00 2.08 1.87 0.00 1.72 0.00 0.00 1.98 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.36 7.81 58 I 7.43 2.33 1.44 0.00 0.00 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 1.39 0.37 0.31 0.00 0.00 59 D 7.97 4.34 0.00 2.77 2.88 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 60 E 7.88 4.66 0.00 1.97 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 2.18 2.15 0.00 61 P 0.00 4.15 0.00 2.18 1.99 0.00 3.64 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.91 0.00 62 E 7.95 4.71 0.00 1.97 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 2.24 2.21 0.00 63 S 8.23 4.20 0.00 4.02 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 64 G 8.69 4.42 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 0.00 65 E 8.23 4.07 0.00 2.25 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 2.43 2.37 0.00 66 F 8.23 4.49 0.00 3.43 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 67 K 8.08 3.90 0.00 1.86 1.83 0.00 1.74 0.00 0.00 2.06 0.00 0.00 3.23 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.57 1.58 7.81 68 S 8.55 4.11 0.00 4.01 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 0.00 69 H 8.06 4.15 0.00 3.29 3.34 0.00 5.79 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 L 7.51 3.84 0.00 1.80 1.63 0.82 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 71 V 7.98 3.64 2.24 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 1.12 0.00 0.00 0.99 0.00 0.00 72 R 8.41 3.99 0.00 2.06 2.04 0.00 3.25 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.89 0.00 73 V 7.95 3.71 2.46 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 1.42 0.00 0.00 1.11 0.00 0.00 74 A 8.42 4.45 1.72 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 0.00 0.00 75 N 9.51 4.67 0.00 3.11 3.02 0.00 0.00 7.02 8.21 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 76 G 8.46 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 0.00 0.00 0.00 77 L 8.41 3.93 0.00 1.96 2.11 0.87 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 78 K 8.43 3.43 0.00 0.79 1.12 0.00 1.25 0.00 0.00 1.30 0.00 0.00 2.13 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.30 0.95 7.81 79 L 7.94 3.76 0.00 1.75 1.71 0.61 0.90 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 80 L 7.70 4.00 0.00 1.69 1.51 0.79 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 81 I 7.47 3.41 1.05 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 -0.36 0.62 0.00 0.00 82 N 7.67 4.50 0.00 2.67 2.76 0.00 0.00 6.93 7.26 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 83 L 7.51 4.59 0.00 1.92 1.55 0.85 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 84 L 7.63 4.06 0.00 1.64 1.60 0.74 0.80 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 85 D 7.88 4.84 0.00 2.53 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 86 D 8.19 4.93 0.00 2.69 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.89 3.85 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 1.21 0.00 0.00 88 L 7.78 3.96 0.00 1.70 1.73 0.91 0.84 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 89 V 7.72 3.54 2.17 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 1.02 0.00 0.00 0.91 0.00 0.00 90 L 8.17 3.85 0.00 1.92 1.75 0.82 0.49 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 91 Q 8.04 3.89 0.00 2.17 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.73 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 92 S 7.97 4.17 0.00 3.94 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 93 H 8.60 4.11 0.00 3.21 3.28 0.00 5.84 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 L 8.32 3.90 0.00 2.03 1.56 0.79 0.93 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 95 G 7.88 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.95 4.09 0.00 3.25 3.44 0.00 5.88 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 L 8.05 4.16 0.00 1.77 1.71 1.07 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 98 A 7.89 4.11 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 99 D 8.19 4.32 0.00 2.79 2.68 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 0.00 100 Q 7.93 3.97 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.97 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 101 H 8.21 4.54 0.00 3.33 3.57 0.00 5.82 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 0.00 102 I 8.04 3.81 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 1.51 0.69 0.91 0.00 0.00 103 Q 7.59 4.62 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.49 0.00 104 R 7.71 4.44 0.00 2.01 1.83 0.00 3.24 0.00 0.00 3.08 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.63 0.00 105 K 8.38 4.10 0.00 1.72 1.71 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.45 7.81 106 G 8.97 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 0.00 107 V 7.39 4.05 2.26 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 1.18 0.00 0.00 1.05 0.00 0.00 108 T 8.36 4.76 4.08 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 1.12 0.00 0.00 109 K 8.46 3.99 0.00 1.80 1.91 0.00 1.65 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.59 1.48 7.81 110 E 8.01 3.90 0.00 1.98 1.70 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 2.29 2.54 0.00 111 Y 7.49 4.13 0.00 3.13 2.82 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 0.00 112 F 8.22 4.05 0.00 3.24 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 0.00 113 R 8.39 4.08 0.00 2.04 2.15 0.00 3.38 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 114 G 8.01 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 0.00 0.00 0.00 115 I 8.21 3.73 1.78 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 1.25 0.00 0.00 116 G 8.21 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 0.00 117 E 8.44 4.13 0.00 2.27 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 0.00 2.44 2.63 0.00 118 A 8.24 4.17 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 0.00 119 F 8.36 3.82 0.00 2.94 2.98 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 0.00 120 A 7.96 4.21 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 0.00 121 R 7.69 4.05 0.00 2.07 2.00 0.00 3.27 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 122 V 7.65 3.72 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 0.63 0.00 0.00 0.79 0.00 0.00 123 L 7.83 3.51 0.00 1.14 0.24 -0.48 0.50 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 0.00 124 P 0.00 4.39 0.00 2.25 2.36 0.00 3.52 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 2.17 2.30 0.00 125 Q 8.16 4.17 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.88 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 126 V 7.50 3.99 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 0.61 0.00 0.00 0.68 0.00 0.00 127 L 6.84 4.67 0.00 1.60 1.42 0.86 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 128 S 8.44 4.67 0.00 3.88 3.85 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 0.00 0.00 0.00 129 C 8.44 4.06 0.00 3.17 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 0.00 130 F 8.29 4.69 0.00 2.96 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 0.00 131 N 8.01 4.50 0.00 2.72 2.56 0.00 0.00 6.97 7.71 0.00 0.00 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 7.57 3.27 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 0.92 0.00 0.00 1.12 0.00 0.00 133 D 7.92 4.26 0.00 2.75 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 0.00 134 A 7.91 3.97 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 0.00 135 W 7.99 4.05 0.00 3.52 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 0.00 136 N 8.81 4.49 0.00 2.95 2.79 0.00 0.00 6.73 7.58 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 0.00 137 R 8.03 3.77 0.00 2.10 1.86 0.00 3.07 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.62 0.00 138 C 7.99 4.19 0.00 2.77 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 0.00 139 F 8.19 3.47 0.00 2.04 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 0.00 140 H 8.69 4.14 0.00 3.39 3.33 0.00 5.87 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 R 7.69 3.79 0.00 1.86 1.93 0.00 3.16 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.74 0.00 142 L 7.74 3.76 0.00 1.34 1.33 0.54 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 143 V 7.69 3.24 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 1.07 0.00 0.00 0.42 0.00 0.00 144 A 8.04 3.84 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 0.00 145 R 7.39 3.84 0.00 1.85 1.92 0.00 3.06 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 146 I 7.34 3.50 1.26 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.88 0.49 0.00 0.00 147 A 7.43 4.25 0.94 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 0.00 148 K 7.48 3.75 0.00 1.89 1.78 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.36 7.81 149 D 7.74 4.97 0.00 2.63 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 0.00 150 L 7.75 4.17 0.00 1.77 1.75 0.90 1.13 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 0.00 151 P 0.00 4.39 0.00 2.15 2.02 0.00 3.81 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00