NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.0386 8.0549 120.3937 62.5156 33.5163 176.1711 3 R 4.3713 7.4653 118.7039 54.1609 29.3276 174.8945 4 R 4.2094 8.4504 118.3762 56.8713 32.1615 177.4644 5 I 3.8373 7.4451 119.0916 65.1406 36.9860 177.7094 6 E 3.9514 8.2705 118.0969 59.6209 29.2003 178.7215 7 D 4.3598 8.1692 118.8708 57.2757 41.2013 178.0221 8 H 4.2095 8.0609 116.3102 58.9054 28.7988 177.4161 9 I 3.7314 8.0327 121.8304 64.6914 36.9569 178.5204 10 S 4.1246 8.1659 115.6730 61.5434 62.6101 176.5345 11 F 4.0889 8.3307 123.0969 61.3005 39.1665 176.5519 12 L 3.6792 8.3184 120.2720 58.5830 41.7867 179.0002 13 E 3.9523 8.4742 118.4233 59.0930 29.3064 179.2467 14 K 3.9325 8.0534 119.9916 59.0979 32.1762 178.8039 15 F 3.7860 8.1526 121.3859 61.2512 39.3273 177.1641 16 I 3.5977 7.9099 119.5337 64.3359 36.9156 177.8774 17 N 4.2166 8.1251 117.7576 56.9403 38.7059 176.6966 18 D 4.2811 8.0292 120.2876 57.1778 40.8398 178.9123 19 V 3.3725 7.5995 118.9669 65.8371 31.4000 177.9645 20 N 4.2947 8.0290 116.2843 56.4696 38.3529 177.4427 21 T 3.8141 7.8425 117.0865 66.7322 68.6269 176.4499 22 L 3.9654 8.0643 122.2281 58.2828 42.0690 179.1294 23 T 3.8141 8.0448 115.5879 66.5384 68.0818 176.3873 24 A 4.0223 8.1147 122.7171 55.2009 18.1398 179.9215 25 K 3.9638 7.6553 115.5883 59.6507 32.2526 179.4605 26 L 4.1638 7.9310 118.0245 56.7477 41.8793 178.4017 27 L 4.5400 7.8269 117.0193 54.3092 42.2722 178.1775 28 K 4.0589 7.7192 121.0161 59.8387 32.1957 178.2839 29 D 4.4061 8.0738 118.5506 57.3087 40.7540 178.4298 30 L 4.1677 7.9372 120.4224 58.3025 42.1736 178.8564 31 Q 4.1139 8.4283 118.1152 59.0893 28.5320 178.9929 32 T 3.8739 7.9376 116.6035 66.7154 68.3833 176.4263 33 E 3.9562 8.2121 119.6490 58.9249 29.6034 177.4368 34 Y 4.3246 7.7740 113.8775 56.3579 38.5832 175.3796 35 G 4.0086 8.7472 108.5488 46.5562 0.0000 173.7077 36 I 4.6062 8.3640 110.8824 57.9894 40.9540 175.2839 37 S 4.6318 8.1289 116.2853 56.9880 66.0996 174.9890 38 A 4.0046 8.3193 123.1601 55.3751 17.9334 179.7158 39 E 3.8995 8.1376 116.7041 59.5501 29.6722 179.3385 40 Q 4.0067 7.8713 118.0295 58.6061 28.7879 178.4715 41 S 4.0358 8.2189 114.6271 61.4923 62.2051 175.5766 42 H 4.0695 8.2656 118.1644 59.1812 28.9364 177.3062 43 V 3.7570 7.5628 119.6731 66.3037 31.1031 178.1345 44 L 4.0847 7.9600 118.2727 57.6094 41.1874 178.9430 45 N 4.4587 8.0603 116.4627 56.6095 39.1032 176.7007 46 M 4.2279 7.8286 119.9455 58.3534 31.9794 178.4663 47 L 4.2322 7.8358 116.5121 56.5783 41.9996 178.5529 48 S 4.3851 7.5198 111.8678 60.1365 63.3303 175.7496 49 I 4.0419 7.4721 124.2430 61.7967 37.5340 175.1850 50 E 4.6301 7.3300 116.1062 54.3853 32.4419 174.6849 51 A 4.6137 8.5459 123.9713 52.3958 18.4575 176.4434 52 L 4.9530 8.3343 120.2174 53.5593 46.9726 174.7666 53 T 4.9046 8.1724 107.9842 59.4457 72.2975 175.2050 54 V 3.7805 8.6453 120.4693 65.6630 30.8431 178.0254 55 G 3.5286 8.0766 105.8343 47.9372 0.0000 175.6189 56 Q 4.0442 8.0050 120.6770 58.4701 28.9102 178.9702 57 I 3.7006 7.5360 120.0703 65.0103 37.1294 178.6215 58 T 3.9185 7.7430 115.9663 67.2579 67.8098 175.7829 59 E 4.0618 8.1412 120.5832 58.0852 29.0894 179.0096 60 K 3.8624 7.9815 120.6977 60.1069 32.6691 178.4565 61 Q 4.0954 7.6422 117.8209 60.9847 29.4358 175.6384 62 G 3.9201 8.2556 106.1330 43.0768 0.0000 176.2854 63 V 3.6379 8.3312 120.2584 61.9197 30.5990 175.8509 64 N 4.7661 8.2246 123.2621 52.5628 40.6401 174.7208 65 K 4.6731 8.4039 123.9086 55.5376 33.5161 177.0861 66 A 4.7002 7.9043 120.4169 52.6297 26.3000 178.8533 67 A 4.8175 7.6975 118.0488 51.6976 19.9554 177.4245 68 V 4.1900 7.5857 121.5188 63.3138 33.7198 177.9891 69 S 4.2554 7.8868 114.5172 60.2230 62.6117 175.4303 70 R 4.0916 7.8860 119.5462 58.1823 30.1311 177.5889 71 R 4.2069 7.2011 114.5780 57.6282 30.5787 178.4582 72 V 3.7416 7.4575 118.4181 65.6976 31.8133 177.5747 73 K 3.8805 7.7504 117.8838 59.6679 31.6441 179.1508 74 K 4.1968 7.7529 116.8401 58.1045 31.7587 178.8896 75 L 3.9714 7.8222 120.2915 57.1100 41.9054 178.9026 76 L 3.9865 7.7458 118.4817 57.9713 41.3762 179.3798 77 N 4.2530 8.1990 114.3836 55.7274 38.6561 175.5026 78 A 4.3643 7.3675 118.3330 51.1422 19.6329 176.4311 79 E 3.8563 7.9860 114.8047 58.3798 27.1666 174.7818 80 L 4.7835 8.3586 116.7709 54.2815 44.9225 177.9856 81 V 4.6270 7.7705 118.4102 60.9427 34.1589 174.4334 82 K 4.6492 9.1160 127.7208 54.6328 34.5906 176.9381 83 L 4.8711 8.5756 124.2187 53.1877 43.0036 175.8325 *95 K 4.0974 8.0699 117.8514 57.1940 33.3870 174.3425 96 I 4.6579 7.7764 118.7814 59.6238 41.1748 174.8489 97 I 4.7715 7.8710 117.9965 60.1811 40.3126 174.8079 98 K 5.0758 9.2879 124.3617 54.1890 36.4173 175.6059 99 L 4.8182 8.4484 121.0979 54.6833 42.7231 177.1294 100 S 4.5953 8.2067 117.0653 57.1207 65.5007 174.6632 101 N 4.3652 8.9274 116.4617 56.6543 38.0674 177.4373 102 K 4.1814 8.1317 120.4040 59.4693 32.3832 179.0348 103 G 3.6400 8.1299 106.1236 47.8147 0.0000 175.9759 104 K 4.0910 9.2402 122.0977 58.7405 32.0434 179.4737 105 K 3.9554 8.3768 120.2905 59.5383 32.1720 178.1147 106 Y 3.3046 7.8831 119.7005 60.7381 38.5828 178.2308 107 I 3.4679 7.4707 120.0590 64.0735 37.0457 178.7161 108 K 3.8794 7.9755 119.3088 59.5276 31.9465 179.2656 109 E 3.8481 7.9246 118.8437 59.2149 29.3068 179.3715 110 R 3.5847 7.8133 119.1062 59.2876 29.9770 178.7571 111 K 3.8742 8.1569 118.3051 59.2945 31.9057 178.8396 112 A 3.8945 8.0293 121.0685 55.2933 18.1846 179.3669 113 I 3.4990 7.5277 117.3980 64.9427 37.2397 178.4595 114 M 4.0159 7.8449 118.9689 58.6814 31.7467 179.1630 115 S 4.1324 8.3208 115.3541 61.7511 62.9871 176.1894 116 H 4.1565 8.4783 119.2575 59.3183 28.5522 177.9075 117 I 3.7894 7.6813 120.7725 64.2672 36.7287 178.4258 118 A 4.0836 8.2132 121.1446 54.8537 18.3260 179.4890 119 S 4.2193 8.4963 112.3896 61.6540 62.0475 175.9771 120 D 4.3813 8.0730 121.5975 57.6877 40.4377 178.1631 121 M 4.5032 7.9544 115.4503 56.7129 32.3078 176.9098 122 T 5.0283 7.7194 113.4507 62.8784 71.1357 175.9563 123 S 4.2337 8.3784 116.2741 60.7001 62.8213 174.9869 124 D 4.4925 7.7292 118.3652 53.8529 39.9343 176.6265 125 F 4.5587 7.5610 118.9758 57.1307 39.9618 174.3852 126 D 4.7804 10.2102 123.7346 53.2047 42.2515 177.4382 127 S 4.2064 8.9183 120.7692 61.8172 62.5711 177.0850 128 K 3.9539 8.1873 121.6131 59.7469 32.2183 178.8483 129 E 3.9402 8.1987 119.7941 59.2148 29.3782 179.4967 130 I 3.6596 7.6591 119.2657 64.3999 37.2876 178.1535 131 E 3.9492 8.4176 119.6575 59.2975 29.2591 179.4044 132 K 3.9459 7.9298 119.3449 59.2455 32.2354 179.1683 133 V 3.4938 7.4050 118.7972 65.9000 31.3750 177.9754 134 R 3.8934 8.1198 118.5499 59.5435 29.9216 178.5132 135 Q 3.9573 8.1246 117.9058 58.9450 28.8257 178.9705 136 V 3.5978 7.7518 119.2485 65.8327 31.5178 178.1782 137 L 3.9935 7.9884 118.7912 57.7333 41.4233 179.1497 138 E 3.9754 8.4348 118.8764 59.6778 29.4946 179.4623 139 I 3.8163 7.7553 118.2316 63.9378 37.9860 178.0310 140 I 3.8304 7.7460 120.7450 64.2432 36.9285 177.8137 141 D 4.3733 8.6450 119.5023 57.2566 41.0359 177.6760 142 Y 4.0391 8.5138 120.5973 60.9313 38.6762 178.3472 143 R 4.1999 8.0974 117.4633 58.8586 30.3460 178.9352 144 I 3.8591 7.7641 120.0256 64.3787 37.1504 178.3714 145 Q 4.0144 7.9674 118.8184 58.9826 28.3284 179.0900 146 S 4.2642 7.8723 108.7853 58.9905 62.2120 173.1756 147 Y 4.3002 8.4099 120.9791 59.3439 40.5422 177.4096 148 T 4.6253 8.6526 112.8172 62.5218 67.1793 175.0438 149 S 4.5073 8.1674 114.2597 56.9489 64.6402 173.7077 150 K 4.1525 7.9061 120.1780 55.1877 31.9933 176.0102 151 L 3.9555 8.4591 125.0351 55.4490 42.8697 173.9881 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 2 V 8.05 4.04 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 0.99 0.00 0.00 0.93 0.00 0.00 3 R 7.47 4.37 0.00 2.02 1.85 0.00 3.23 0.00 0.00 3.31 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 4 R 8.45 4.21 0.00 1.91 1.93 0.00 3.18 0.00 0.00 3.33 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.78 0.00 5 I 7.45 3.84 1.89 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.77 0.92 0.00 0.00 6 E 8.27 3.95 0.00 2.20 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 0.00 2.59 2.39 0.00 7 D 8.17 4.36 0.00 2.83 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 8 H 8.06 4.21 0.00 3.40 3.38 0.00 5.69 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 9 I 8.03 3.73 2.04 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 1.53 0.91 0.92 0.00 0.00 10 S 8.17 4.12 0.00 4.11 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 11 F 8.33 4.09 0.00 3.19 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 12 L 8.32 3.68 0.00 1.79 1.87 0.90 0.88 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 13 E 8.47 3.95 0.00 2.17 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 0.00 2.31 2.44 0.00 14 K 8.05 3.93 0.00 1.89 1.85 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.57 1.43 7.81 15 F 8.15 3.79 0.00 2.43 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 16 I 7.91 3.60 1.86 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 1.49 0.69 0.90 0.00 0.00 17 N 8.13 4.22 0.00 2.87 2.97 0.00 0.00 7.26 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 18 D 8.03 4.28 0.00 2.60 2.57 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 19 V 7.60 3.37 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 0.92 0.00 0.00 0.37 0.00 0.00 20 N 8.03 4.29 0.00 2.90 2.83 0.00 0.00 7.01 7.16 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 21 T 7.84 3.81 4.33 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 1.19 0.00 0.00 22 L 8.06 3.97 0.00 1.69 1.68 0.90 1.01 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 23 T 8.04 3.81 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 1.16 0.00 0.00 24 A 8.11 4.02 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 25 K 7.66 3.96 0.00 1.86 1.88 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.47 7.81 26 L 7.93 4.16 0.00 1.82 1.71 0.90 0.75 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 27 L 7.83 4.54 0.00 1.75 1.73 0.91 0.44 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 28 K 7.72 4.06 0.00 2.02 1.82 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.51 7.81 29 D 8.07 4.41 0.00 2.76 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 L 7.94 4.17 0.00 1.83 1.91 1.18 0.46 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 31 Q 8.43 4.11 0.00 2.35 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.60 0.00 0.00 0.00 0.00 0.00 2.40 2.65 0.00 32 T 7.94 3.87 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 1.23 0.00 0.00 33 E 8.21 3.96 0.00 1.98 2.35 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 2.36 2.26 0.00 34 Y 7.77 4.32 0.00 2.86 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 35 G 8.75 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 36 I 8.36 4.61 1.73 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.58 0.89 0.00 0.00 37 S 8.13 4.63 0.00 4.12 4.02 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 38 A 8.32 4.00 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 39 E 8.14 3.90 0.00 2.05 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 2.37 2.43 0.00 40 Q 7.87 4.01 0.00 2.23 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 41 S 8.22 4.04 0.00 3.91 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 42 H 8.27 4.07 0.00 3.36 3.37 0.00 5.73 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 43 V 7.56 3.76 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 1.03 0.00 0.00 0.99 0.00 0.00 44 L 7.96 4.08 0.00 1.99 1.78 0.75 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 45 N 8.06 4.46 0.00 2.88 2.99 0.00 0.00 7.25 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 M 7.83 4.23 0.00 2.14 2.31 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.59 0.00 47 L 7.84 4.23 0.00 1.63 1.74 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 48 S 7.52 4.39 0.00 4.06 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 49 I 7.47 4.04 2.04 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 1.85 0.83 0.92 0.00 0.00 50 E 7.33 4.63 0.00 2.03 1.88 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 2.19 2.31 0.00 51 A 8.55 4.61 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 0.00 0.00 0.00 0.00 0.00 0.00 52 L 8.33 4.95 0.00 1.55 1.55 0.93 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 53 T 8.17 4.90 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 1.28 0.00 0.00 54 V 8.65 3.78 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 1.04 0.00 0.00 0.93 0.00 0.00 55 G 8.08 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 0.00 0.00 0.00 0.00 56 Q 8.01 4.04 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.80 0.00 0.00 0.00 0.00 0.00 2.46 2.53 0.00 57 I 7.54 3.70 1.87 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 1.53 1.19 0.91 0.00 0.00 58 T 7.74 3.92 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 1.27 0.00 0.00 59 E 8.14 4.06 0.00 2.14 1.88 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 2.57 2.49 0.00 60 K 7.98 3.86 0.00 1.72 1.91 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.75 7.81 61 Q 7.64 4.10 0.00 2.34 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.32 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 62 G 8.26 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 0.00 0.00 0.00 63 V 8.33 3.64 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 0.73 0.00 0.00 0.92 0.00 0.00 64 N 8.22 4.77 0.00 2.65 2.70 0.00 0.00 6.92 7.61 0.00 0.00 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 K 8.40 4.67 0.00 1.67 1.73 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.78 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.40 7.81 66 A 7.90 4.70 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 67 A 7.70 4.82 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 68 V 7.59 4.19 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 0.80 0.00 0.00 0.92 0.00 0.00 69 S 7.89 4.26 0.00 3.87 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 70 R 7.89 4.09 0.00 1.88 1.89 0.00 3.21 0.00 0.00 3.33 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 71 R 7.20 4.21 0.00 2.08 1.95 0.00 3.20 0.00 0.00 3.13 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.79 0.00 72 V 7.46 3.74 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 1.07 0.00 0.00 1.01 0.00 0.00 73 K 7.75 3.88 0.00 1.94 1.85 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.72 7.81 74 K 7.75 4.20 0.00 1.76 1.84 0.00 1.64 0.00 0.00 1.64 0.00 0.00 3.09 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.65 7.81 75 L 7.82 3.97 0.00 1.96 1.69 0.91 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 76 L 7.75 3.99 0.00 1.81 1.71 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 77 N 8.20 4.25 0.00 2.70 2.88 0.00 0.00 6.79 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 78 A 7.37 4.36 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 79 E 7.99 3.86 0.00 2.14 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 2.25 2.26 0.00 80 L 8.36 4.78 0.00 1.53 1.64 0.86 0.98 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 81 V 7.77 4.63 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.93 0.00 0.00 82 K 9.12 4.65 0.00 1.69 1.69 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.40 7.81 83 L 8.58 4.87 0.00 1.64 1.64 0.92 1.00 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 *95 K 8.07 4.10 0.00 1.87 1.86 0.00 1.40 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.53 7.81 96 I 7.78 4.66 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 1.53 0.91 0.00 0.00 97 I 7.87 4.77 2.13 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 1.30 1.07 0.92 0.00 0.00 98 K 9.29 5.08 0.00 1.70 1.67 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.38 7.81 99 L 8.45 4.82 0.00 1.55 1.58 0.93 0.97 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 0.00 100 S 8.21 4.60 0.00 3.89 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 0.00 101 N 8.93 4.37 0.00 2.81 2.97 0.00 0.00 6.46 7.98 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 0.00 102 K 8.13 4.18 0.00 1.88 2.02 0.00 1.75 0.00 0.00 2.04 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.69 1.60 7.81 103 G 8.13 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 K 9.24 4.09 0.00 1.78 1.88 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.46 7.81 105 K 8.38 3.96 0.00 2.18 2.14 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.59 1.52 7.81 106 Y 7.88 3.30 0.00 2.33 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 0.00 107 I 7.47 3.47 1.95 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 1.79 0.85 0.85 0.00 0.00 108 K 7.98 3.88 0.00 1.96 1.80 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.62 7.81 109 E 7.92 3.85 0.00 1.84 1.92 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 2.40 2.48 0.00 110 R 7.81 3.58 0.00 0.99 1.68 0.00 2.96 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.47 0.00 111 K 8.16 3.87 0.00 1.94 1.78 0.00 1.71 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.55 7.81 112 A 8.03 3.89 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 0.00 113 I 7.53 3.50 1.91 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.37 0.87 0.00 0.00 114 M 7.84 4.02 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.84 0.00 115 S 8.32 4.13 0.00 4.05 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 0.00 116 H 8.48 4.16 0.00 3.30 3.36 0.00 5.63 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 0.00 117 I 7.68 3.79 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 1.65 1.19 0.92 0.00 0.00 118 A 8.21 4.08 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 0.00 119 S 8.50 4.22 0.00 3.90 4.18 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 0.00 120 D 8.07 4.38 0.00 2.92 2.71 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 0.00 0.00 0.00 0.00 121 M 7.95 4.50 0.00 2.11 2.31 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 2.67 2.64 0.00 122 T 7.72 5.03 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 1.33 0.00 0.00 123 S 8.38 4.23 0.00 3.96 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 0.00 124 D 7.73 4.49 0.00 2.61 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 0.00 125 F 7.56 4.56 0.00 3.26 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 0.00 126 D 10.21 4.78 0.00 2.67 2.57 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 0.00 127 S 8.92 4.21 0.00 4.10 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 K 8.19 3.95 0.00 2.01 2.12 0.00 1.52 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.92 1.55 7.81 129 E 8.20 3.94 0.00 2.30 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 2.37 2.41 0.00 130 I 7.66 3.66 1.88 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.93 0.90 0.00 0.00 131 E 8.42 3.95 0.00 2.03 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 2.33 2.46 0.00 132 K 7.93 3.95 0.00 1.84 1.92 0.00 1.50 0.00 0.00 1.55 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.45 7.81 133 V 7.41 3.49 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.81 0.00 0.00 134 R 8.12 3.89 0.00 1.95 2.09 0.00 3.20 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.78 0.00 135 Q 8.12 3.96 0.00 2.29 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.57 0.00 136 V 7.75 3.60 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 1.01 0.00 0.00 0.99 0.00 0.00 137 L 7.99 3.99 0.00 1.88 1.70 0.90 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 138 E 8.43 3.98 0.00 2.19 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 0.00 2.35 2.51 0.00 139 I 7.76 3.82 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.32 0.96 0.00 0.00 140 I 7.75 3.83 2.03 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 1.02 0.91 0.00 0.00 141 D 8.64 4.37 0.00 2.84 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 0.00 142 Y 8.51 4.04 0.00 3.17 3.16 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 0.00 143 R 8.10 4.20 0.00 1.94 2.11 0.00 3.38 0.00 0.00 3.32 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.08 0.00 144 I 7.76 3.86 2.03 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.99 0.90 0.00 0.00 145 Q 7.97 4.01 0.00 2.25 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 7.02 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 146 S 7.87 4.26 0.00 3.38 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 Y 8.41 4.30 0.00 3.27 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 0.00 148 T 8.65 4.63 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 149 S 8.17 4.51 0.00 3.94 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 0.00 150 K 7.91 4.15 0.00 1.62 1.71 0.00 1.82 0.00 0.00 1.48 0.00 0.00 2.74 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.29 1.34 7.81 151 L 8.46 3.96 0.00 1.76 1.66 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.