NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 S 4.3266 8.3193 116.7978 59.1018 64.6448 173.6280 10 I 3.0630 6.7075 112.3533 58.8228 37.5789 172.5317 11 K 4.6393 8.0858 123.5329 53.9973 37.1184 174.7487 12 P 4.6170 0.0000 0.0000 62.0592 32.9539 175.7642 *15 T 4.3075 8.1248 113.2538 62.3691 70.3280 174.3776 16 R 4.5430 7.1444 120.8905 56.3927 32.7678 173.8504 17 R 4.5457 8.5123 116.1350 56.1452 29.8297 177.1011 18 E 5.7482 7.4537 124.0069 56.9048 33.2287 176.9599 19 Y 4.5094 8.3306 116.9825 58.6537 40.1273 176.4459 20 I 4.2637 7.6494 111.2018 60.8436 38.9227 176.5169 21 S 4.8073 7.5504 112.6503 56.5955 63.2808 174.2908 22 G 4.0047 8.1466 114.7866 46.8087 0.0000 168.6615 23 I 3.5104 8.0011 133.1462 60.4375 38.6761 171.8410 24 P 4.8281 0.0000 0.0000 61.5310 33.7939 174.4018 25 G 3.8621 8.3819 104.4573 44.6711 0.0000 175.7415 26 K 3.7163 8.3608 116.9048 55.7157 32.2440 173.6697 27 G 3.8110 7.8519 112.2764 46.1583 0.0000 172.4331 28 I 4.2454 7.5743 127.0051 60.8479 41.2751 174.0097 29 A 4.6319 8.3295 118.3918 54.4342 18.8257 175.2076 30 Q 2.9729 7.6865 118.5135 57.2562 28.6558 173.1362 31 F 4.3623 8.0786 116.1918 59.0097 40.1682 176.5578 32 K 4.3401 8.1021 123.6104 57.9225 34.1508 177.1820 33 M 4.3254 8.4566 119.3436 55.7022 34.6827 173.7924 34 G 4.4592 8.4687 105.7954 46.8537 0.0000 171.3587 35 N 5.0937 8.4056 116.7938 52.4895 43.4746 177.0631 36 N 3.9144 7.9640 113.8342 52.4620 42.3822 177.7814 *41 T 4.2102 8.5482 116.2254 63.8497 68.9585 172.9899 42 Y 4.5762 9.1074 124.0141 59.0609 38.6550 174.7202 43 P 4.3999 0.0000 0.0000 62.3376 32.1100 175.3595 44 A 3.3354 6.1028 121.6062 47.5434 18.7174 176.2480 45 Q 3.9615 8.2942 122.3465 54.6230 29.7880 174.8028 46 V 4.4578 7.6088 123.1585 61.1281 34.3094 174.3003 47 E 5.2692 8.4552 125.2505 56.6304 32.9399 173.2721 48 N 6.0784 9.0511 115.4131 53.0832 41.1896 174.1479 49 V 4.6281 8.3091 120.0367 62.1274 34.9807 171.7771 50 V 4.5535 7.4477 121.1324 62.8783 34.5202 175.6403 51 E 4.8192 8.4805 112.2375 56.8895 35.0712 176.4968 52 K 4.6026 8.2419 120.0210 55.6072 33.1063 174.4977 53 P 5.1358 0.0000 0.0000 60.7980 33.2577 175.3015 54 V 4.0721 8.2934 118.5308 60.0253 34.9037 171.5064 55 Q 4.3336 9.3756 128.5122 61.1608 26.6201 178.2974 56 I 3.2569 7.7292 118.1640 59.6466 36.6552 177.2882 57 R 4.5122 9.2281 127.5572 57.0639 28.7835 177.6970 58 H 4.1282 9.0349 115.5923 53.9092 32.3027 181.0498 59 N 3.7421 9.4542 110.5194 53.5907 40.5471 176.9637 60 A 3.8721 7.8964 121.2032 53.8267 22.0572 180.2359 61 L 3.9883 12.0000 115.2482 57.0018 41.3578 181.7349 62 E 3.0436 9.2136 120.5370 55.1211 32.0788 178.3625 63 A 4.1275 8.5857 113.0985 49.6035 20.7765 182.4160 64 A 3.3226 10.1230 122.6191 55.4610 19.3215 180.6203 65 R 3.4808 5.8400 123.3310 58.3329 30.6692 176.3237 66 N 4.2322 9.0389 115.8782 56.7612 38.4206 177.4019 67 A 4.3266 8.4221 121.2189 55.3068 18.6696 179.3392 68 A 4.2475 8.5008 120.0934 55.6874 18.7073 179.5650 69 N 3.9004 8.9912 115.5356 56.1587 37.0407 177.2479 70 R 3.8687 7.6557 119.3801 58.7286 30.1649 177.9651 71 F 4.6498 8.4841 115.2266 55.8199 40.1478 176.9309 72 V 4.0327 9.2163 115.2792 62.5902 30.0447 176.4825 73 Q 5.3809 8.2083 122.3613 56.2386 28.1690 173.0929 74 N 4.4318 7.8993 111.9992 52.7044 38.0936 174.9657 75 S 4.7021 9.0411 116.9550 57.4683 63.6950 173.3008 76 G 4.3627 8.2703 121.1082 45.6598 0.0000 172.7539 *82 K 4.0526 7.0146 118.0860 55.6469 32.6934 178.8290 83 F 3.3132 8.1914 113.2903 58.4253 39.8843 177.0614 84 R 4.3519 8.5493 119.9762 57.1416 31.4746 176.2651 85 I 4.9442 8.2210 112.4828 60.9613 39.9673 175.9055 86 R 5.3864 8.6894 129.6969 55.5139 29.1417 174.3099 87 K 3.3430 7.9524 116.4507 54.4617 36.3267 173.9736 88 F 4.4931 8.3402 115.6444 55.7100 37.8167 171.8501 89 P 5.4251 0.0000 0.0000 62.8907 32.1384 175.4354 90 F 4.8687 8.4451 113.9509 57.6595 42.5652 173.0197 91 H 5.0618 7.8086 115.1093 55.3193 32.2917 171.7582 92 V 4.6864 7.7604 109.8919 60.8234 35.3175 174.8876 93 I 4.5385 8.7591 129.2974 60.7806 37.8598 177.2251 94 R 5.8147 8.5005 130.9116 56.8155 31.3205 173.9827 95 E 4.6776 7.4986 125.0598 55.9245 33.6835 178.0832 96 Q 3.9654 9.1462 121.5458 56.9584 28.6935 175.2972 97 D 4.3751 8.4136 119.4352 57.4284 44.2602 172.9252 98 G 4.0798 8.7587 118.2121 44.6967 0.0000 173.8083 99 D 4.4399 8.8522 124.6537 54.6070 40.7832 175.8549 100 G 4.0096 7.0169 114.1706 45.9120 0.0000 173.2936 101 M 4.8793 7.8350 117.8700 55.5509 37.8599 178.0017 102 R 4.4133 7.6341 117.8337 54.6122 29.4283 178.1405 103 A 3.9475 8.7435 130.0800 52.7047 17.1740 173.7951 104 P 4.7283 0.0000 0.0000 61.6885 33.2745 176.7462 105 F 4.0508 9.8848 124.2074 57.4301 37.7664 177.1628 106 G 4.7356 8.4434 117.3380 46.7106 0.0000 173.0658 107 K 4.7598 7.6904 123.9563 54.3195 35.0585 176.0727 108 S 4.5785 8.6816 122.5445 57.9018 64.6127 172.1055 109 V 3.9692 9.3510 114.7924 61.9519 33.0275 170.4623 110 G 3.6224 8.5350 115.1435 46.3171 0.0000 171.9657 111 T 5.3292 7.6115 120.8265 61.3212 71.6234 174.6636 112 A 4.6150 7.9760 128.8360 51.1526 26.3000 178.0283 113 A 4.5261 8.4575 115.6071 53.4577 23.1192 175.1998 114 R 4.2120 8.8178 122.3511 56.3318 30.7607 177.5490 115 S 4.5205 8.3722 122.7024 56.7394 62.0113 170.2534 116 H 4.0131 9.0519 120.9905 57.3002 28.2675 176.9836 117 G 3.9265 8.6967 111.3239 46.2392 0.0000 173.0443 118 A 4.0898 7.4203 123.3896 52.9196 18.2246 177.4053 119 N 4.6396 8.2173 114.9525 51.3305 37.6181 173.0268 120 H 4.3651 8.3018 116.1237 56.6670 28.8445 176.1458 121 D 4.6783 7.8663 135.0000 53.7252 42.3689 178.9805 122 F 5.1048 8.9627 128.1252 57.1358 41.7902 173.2746 123 I 4.8923 8.8790 121.3467 59.8942 39.1570 176.7261 124 A 4.8391 9.4974 130.7771 49.3473 17.9284 173.5514 125 W 4.5766 8.1775 128.9969 54.8300 32.7683 174.9378 126 V 4.7500 7.0931 127.4899 61.2646 34.9520 173.1717 127 N 4.4017 8.8273 117.2423 53.1883 37.5575 177.0356 128 P 4.5027 0.0000 0.0000 62.7580 30.7883 175.5122 129 D 4.7254 7.7722 128.1824 51.7918 41.6506 174.2947 130 P 3.7824 0.0000 0.0000 65.3032 31.6319 177.9329 131 A 4.3255 7.8198 119.1401 54.3807 18.5334 178.1409 132 V 4.1912 7.3773 115.7203 62.9750 33.0788 177.3118 133 E 3.8423 8.1672 118.6011 59.4213 29.1797 178.7640 134 F 4.3132 6.7793 117.8451 58.4630 39.4199 177.0045 135 A 3.7977 9.3013 111.9641 56.3358 17.7372 180.9175 136 W 5.0998 5.8851 122.2851 59.0874 29.9523 177.3225 137 R 3.7671 9.0132 115.7304 58.7235 29.6401 177.9232 138 R 3.8371 9.6311 119.3595 59.4143 30.1286 179.0254 139 A 3.9139 10.6000 119.4728 55.8583 18.4631 177.9779 140 Y 3.6926 8.5953 115.6293 59.7686 38.1523 181.1315 141 M 3.2577 6.7702 119.7716 57.4118 34.7425 180.5133 142 K 4.3366 7.2545 116.4835 54.2595 33.0120 178.8135 143 V 3.2489 8.2410 112.1687 61.8251 29.6815 172.3018 144 T 4.1400 8.1573 126.0203 63.0738 70.0440 172.6280 145 P 4.4683 0.0000 0.0000 62.1795 31.1368 176.5012 146 T 3.4337 7.2832 114.6480 59.4223 68.0946 172.3602 147 V 3.7364 7.5766 119.0673 62.0053 32.0769 170.0459 148 N 4.8729 9.0533 122.6291 51.7627 41.3989 173.1233 149 I 3.7939 8.0024 127.3391 60.2734 38.1399 174.6546 150 D 4.6760 8.2624 125.0861 52.8127 43.1772 173.1630 151 S 5.8060 8.3930 113.5764 56.1366 66.6476 172.1783 152 S 4.8610 8.4025 114.5201 55.7936 66.2241 170.1156 153 P 4.2530 0.0000 0.0000 66.1176 30.5871 174.2428 154 A 4.3339 8.9868 128.5113 53.9400 17.6691 176.8555 155 G 4.1086 8.8362 102.0441 44.8581 0.0000 175.2995 156 N 4.8327 9.1597 116.4284 53.3339 41.5770 172.7652 157 A 3.9323 8.0409 124.9961 52.7128 18.3340 178.3053 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 9 S 8.32 4.33 0.00 3.90 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 10 I 6.71 3.06 1.88 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 1.42 0.60 0.92 0.00 0.00 11 K 8.09 4.64 0.00 1.75 1.79 0.00 2.03 0.00 0.00 1.81 0.00 0.00 3.33 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.54 1.42 7.81 12 P 0.00 4.62 0.00 2.23 2.10 0.00 3.88 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.27 0.00 *15 T 8.12 4.31 4.30 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 1.20 0.00 0.00 16 R 7.14 4.54 0.00 2.09 2.12 0.00 2.95 0.00 0.00 2.87 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.35 0.00 17 R 8.51 4.55 0.00 1.85 1.99 0.00 3.53 0.00 0.00 3.31 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.64 0.00 18 E 7.45 5.75 0.00 1.75 1.81 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 2.20 2.07 0.00 19 Y 8.33 4.51 0.00 2.89 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 20 I 7.65 4.26 1.90 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.66 0.97 0.00 0.00 21 S 7.55 4.81 0.00 3.96 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 22 G 8.15 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 I 8.00 3.51 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 1.47 0.47 0.91 0.00 0.00 24 P 0.00 4.83 0.00 2.23 2.07 0.00 3.77 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.95 0.00 25 G 8.38 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 0.00 0.00 0.00 26 K 8.36 3.72 0.00 1.84 1.75 0.00 1.36 0.00 0.00 0.63 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.05 1.28 7.81 27 G 7.85 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 28 I 7.57 4.25 1.91 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 1.79 0.30 0.94 0.00 0.00 29 A 8.33 4.63 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 30 Q 7.69 2.97 0.00 2.20 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.87 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 31 F 8.08 4.36 0.00 2.99 3.04 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 0.00 0.00 0.00 0.00 32 K 8.10 4.34 0.00 1.92 1.94 0.00 1.51 0.00 0.00 1.66 0.00 0.00 3.08 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.56 7.81 33 M 8.46 4.33 0.00 2.00 1.81 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.80 0.00 34 G 8.47 4.46 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 0.00 0.00 0.00 35 N 8.41 5.09 0.00 2.66 2.67 0.00 0.00 6.82 7.79 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 36 N 7.96 3.91 0.00 2.77 2.11 0.00 0.00 7.13 7.69 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 *41 T 8.55 4.21 4.94 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 0.56 0.00 0.00 42 Y 9.11 4.58 0.00 3.03 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 43 P 0.00 4.40 0.00 2.12 2.04 0.00 3.77 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 1.87 1.99 0.00 44 A 6.10 3.34 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 8.29 3.96 0.00 2.27 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.64 0.00 0.00 0.00 0.00 0.00 2.64 2.38 0.00 46 V 7.61 4.46 3.04 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 0.81 0.00 0.00 0.72 0.00 0.00 47 E 8.46 5.27 0.00 2.25 2.27 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 2.35 2.52 0.00 48 N 9.05 6.08 0.00 2.90 2.74 0.00 0.00 6.32 7.77 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 49 V 8.31 4.63 2.02 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 0.89 0.00 0.00 0.89 0.00 0.00 50 V 7.45 4.55 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 0.93 0.00 0.00 0.86 0.00 0.00 51 E 8.48 4.82 0.00 1.95 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 2.17 2.18 0.00 52 K 8.24 4.60 0.00 1.71 1.76 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.77 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.40 7.81 53 P 0.00 5.14 0.00 2.07 2.04 0.00 3.40 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.78 0.00 54 V 8.29 4.07 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 0.70 0.00 0.00 0.94 0.00 0.00 55 Q 9.38 4.33 0.00 1.99 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.55 0.00 0.00 0.00 0.00 0.00 2.44 2.61 0.00 56 I 7.73 3.26 1.91 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 1.42 0.95 0.91 0.00 0.00 57 R 9.23 4.51 0.00 1.78 1.87 0.00 3.40 0.00 0.00 3.31 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 58 H 9.03 4.13 0.00 3.24 3.35 0.00 5.46 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 N 9.45 3.74 0.00 2.90 2.92 0.00 0.00 6.63 8.00 0.00 0.00 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 A 7.90 3.87 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 61 L 12.00 3.99 0.00 1.66 1.48 1.03 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 62 E 9.21 3.04 0.00 2.17 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 0.00 2.40 2.45 0.00 63 A 8.59 4.13 1.16 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 64 A 10.12 3.32 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 5.84 3.48 0.00 2.02 1.79 0.00 2.60 0.00 0.00 2.62 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.92 0.00 66 N 9.04 4.23 0.00 2.82 2.86 0.00 0.00 7.00 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.42 4.33 1.67 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 68 A 8.50 4.25 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 0.00 0.00 0.00 0.00 0.00 69 N 8.99 3.90 0.00 2.60 2.96 0.00 0.00 7.08 7.68 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 70 R 7.66 3.87 0.00 1.45 1.78 0.00 3.68 0.00 0.00 3.29 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.99 0.00 71 F 8.48 4.65 0.00 2.97 3.22 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 72 V 9.22 4.03 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 0.98 0.00 0.00 1.42 0.00 0.00 73 Q 8.21 5.38 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.66 0.00 0.00 0.00 0.00 0.00 2.09 2.05 0.00 74 N 7.90 4.43 0.00 2.80 2.69 0.00 0.00 5.70 7.64 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 75 S 9.04 4.70 0.00 3.87 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 76 G 8.27 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *82 K 7.01 4.05 0.00 2.22 2.11 0.00 1.44 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.47 1.77 7.81 83 F 8.19 3.31 0.00 2.78 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 84 R 8.55 4.35 0.00 1.93 2.06 0.00 3.21 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.68 0.00 85 I 8.22 4.94 0.83 0.00 0.00 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 0.94 0.29 0.40 0.00 0.00 86 R 8.69 5.39 0.00 2.28 2.27 0.00 3.23 0.00 0.00 3.35 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.85 0.00 87 K 7.95 3.34 0.00 1.81 1.56 0.00 1.57 0.00 0.00 1.39 0.00 0.00 2.91 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.07 1.17 7.81 88 F 8.34 4.49 0.00 4.47 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 89 P 0.00 5.43 0.00 2.35 2.16 0.00 3.52 0.00 0.00 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.02 0.00 90 F 8.45 4.87 0.00 2.85 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 91 H 7.81 5.06 0.00 3.20 3.45 0.00 5.49 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 V 7.76 4.69 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 0.82 0.00 0.00 0.95 0.00 0.00 93 I 8.76 4.54 1.88 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 1.22 0.49 0.92 0.00 0.00 94 R 8.50 5.81 0.00 1.89 1.98 0.00 3.29 0.00 0.00 4.01 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.18 0.00 95 E 7.50 4.68 0.00 2.10 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.12 0.00 96 Q 9.15 3.97 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 7.03 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 97 D 8.41 4.38 0.00 2.62 2.53 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 98 G 8.76 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 0.00 0.00 0.00 0.00 99 D 8.85 4.44 0.00 2.75 2.70 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 0.00 100 G 7.02 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 0.00 0.00 0.00 101 M 7.83 4.88 0.00 1.94 2.02 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 2.48 2.51 0.00 102 R 7.63 4.41 0.00 1.86 1.34 0.00 3.31 0.00 0.00 3.24 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 103 A 8.74 3.95 1.20 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 0.00 0.00 0.00 0.00 0.00 0.00 104 P 0.00 4.73 0.00 2.21 2.12 0.00 3.72 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.97 0.00 105 F 9.88 4.05 0.00 3.02 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 0.00 106 G 8.44 4.74 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 0.00 107 K 7.69 4.76 0.00 1.92 1.65 0.00 1.89 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.32 1.36 7.81 108 S 8.68 4.58 0.00 3.92 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 0.00 109 V 9.35 3.97 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 0.64 0.00 0.00 0.99 0.00 0.00 110 G 8.54 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 T 7.61 5.33 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 1.31 0.00 0.00 112 A 7.98 4.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 A 8.46 4.53 1.46 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 0.00 0.00 114 R 8.82 4.21 0.00 1.88 1.89 0.00 3.28 0.00 0.00 3.31 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 115 S 8.37 4.52 0.00 3.98 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 0.00 116 H 9.05 4.01 0.00 3.18 3.42 0.00 5.54 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 G 8.70 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 0.00 0.00 0.00 118 A 7.42 4.09 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 N 8.22 4.64 0.00 3.09 3.27 0.00 0.00 5.93 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 0.00 120 H 8.30 4.37 0.00 3.15 3.40 0.00 5.89 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 D 7.87 4.68 0.00 2.67 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 0.00 122 F 8.96 5.10 0.00 3.45 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 0.00 123 I 8.88 4.89 2.04 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.79 1.34 0.00 0.00 124 A 9.50 4.84 1.09 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 0.00 0.00 125 W 8.18 4.58 0.00 3.29 3.13 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 0.00 0.00 0.00 126 V 7.09 4.75 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 0.83 0.00 0.00 1.04 0.00 0.00 127 N 8.83 4.40 0.00 2.72 2.09 0.00 0.00 6.93 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 0.00 128 P 0.00 4.50 0.00 2.15 2.06 0.00 3.72 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.92 0.00 129 D 7.77 4.73 0.00 2.60 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 0.00 130 P 0.00 3.78 0.00 1.83 2.13 0.00 3.75 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 2.18 2.08 0.00 131 A 7.82 4.33 1.48 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 0.00 0.00 0.00 132 V 7.38 4.19 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 0.88 0.00 0.00 1.05 0.00 0.00 133 E 8.17 3.84 0.00 2.08 1.84 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 2.11 1.47 0.00 134 F 6.78 4.31 0.00 3.13 3.14 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 0.00 135 A 9.30 3.80 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 0.00 136 W 5.89 5.10 0.00 3.32 3.14 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 0.00 137 R 9.01 3.77 0.00 2.05 2.57 0.00 3.60 0.00 0.00 3.21 7.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.99 0.00 138 R 9.63 3.84 0.00 1.66 1.71 0.00 3.29 0.00 0.00 3.26 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 2.13 0.00 139 A 10.60 3.91 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 0.00 140 Y 8.60 3.69 0.00 3.06 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 0.00 141 M 6.77 3.26 0.00 2.05 2.26 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.73 0.00 142 K 7.25 4.34 0.00 1.68 1.35 0.00 1.83 0.00 0.00 1.69 0.00 0.00 3.12 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.41 7.81 143 V 8.24 3.25 2.02 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 0.70 0.00 0.00 0.93 0.00 0.00 144 T 8.16 4.14 4.23 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 1.20 0.00 0.00 145 P 0.00 4.47 0.00 2.17 2.15 0.00 3.75 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 1.94 1.91 0.00 146 T 7.28 3.43 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 1.19 0.00 0.00 147 V 7.58 3.74 2.20 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 1.24 0.00 0.00 0.95 0.00 0.00 148 N 9.05 4.87 0.00 3.10 2.71 0.00 0.00 7.39 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 0.00 149 I 8.00 3.79 1.63 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 -0.34 0.64 0.00 0.00 150 D 8.26 4.68 0.00 2.73 2.70 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 0.00 151 S 8.39 5.81 0.00 3.72 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 0.00 152 S 8.40 4.86 0.00 4.18 4.15 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 0.00 153 P 0.00 4.25 0.00 2.28 2.13 0.00 4.04 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.22 0.00 154 A 8.99 4.33 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 0.00 155 G 8.84 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 0.00 156 N 9.16 4.83 0.00 2.58 2.69 0.00 0.00 7.00 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 0.00 157 A 8.04 3.93 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 * Residues marked with a * may have inaccurate shift predictions.