NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1C H 4.7794 8.4449 117.8354 56.2586 29.9846 172.8624 1D H 4.6922 8.7016 117.7650 55.5478 29.7802 172.5672 1E H 5.0911 7.5997 115.7885 53.6417 33.4985 172.0580 1F H 4.6695 8.8762 116.9952 55.8452 29.1031 174.3898 1G F 4.7653 8.4184 119.5862 57.7794 39.8909 174.3688 2 N 4.6371 8.4972 117.4959 52.4174 38.8785 174.5328 3 L 4.7273 8.1046 123.6243 52.1904 43.6456 174.8343 4 P 4.4884 0.0000 0.0000 61.5940 32.2435 174.2029 5 P 4.3652 0.0000 0.0000 62.2953 32.2984 174.7293 6 G 3.7388 8.8864 104.6381 44.6717 0.0000 171.4420 7 N 4.4585 7.8836 114.1448 51.8146 39.9876 173.7890 8 Y 4.8448 8.1038 114.6084 58.0048 38.8072 176.7699 9 K 4.0141 8.1858 120.8549 59.2742 32.2695 177.1536 10 K 4.5916 7.6329 115.8116 53.7546 34.1704 174.2070 11 P 4.9095 0.0000 0.0000 63.0978 32.5935 174.7695 12 K 4.7951 9.1997 118.4751 56.2192 36.3728 174.6377 13 L 5.2688 9.2442 120.7575 53.4154 44.6686 175.9892 14 L 5.1381 8.8368 120.9102 53.4761 44.1123 174.6727 15 Y 4.9779 9.3906 126.8216 56.3967 40.6207 173.7431 16 C 3.7478 8.3947 128.1363 57.9468 32.2972 174.3031 17 S 3.8737 8.1649 121.8067 61.4247 62.1375 174.7855 18 N 4.1739 8.0228 117.6941 56.1186 38.4261 175.3600 19 G 3.8959 7.4447 101.5854 44.3121 0.0000 172.6226 20 G 2.9817 7.6225 107.3377 44.2524 0.0000 173.2060 21 H 4.8012 7.2371 115.3475 53.8098 31.5013 174.3108 22 F 5.2262 9.1638 121.3118 56.5067 40.2423 175.2513 23 L 4.6015 9.4607 126.5425 55.8865 42.8430 176.2365 24 R 5.1108 9.3030 124.3652 55.0235 34.1879 173.7584 25 I 5.0158 8.3260 125.8187 59.4685 39.5668 175.7017 26 L 4.1078 8.8680 127.9280 53.3339 42.3733 176.6022 27 P 4.2400 0.0000 0.0000 65.9994 31.2051 177.4267 28 D 4.4737 7.9542 114.2243 53.9382 39.7362 176.9834 29 G 4.0477 8.6884 110.5143 45.3963 0.0000 173.6905 30 T 4.3895 8.3428 111.0318 61.2176 69.6340 173.7354 31 V 4.8486 7.8801 123.5315 61.4148 34.1392 174.4872 32 D 4.6040 8.4266 123.9286 53.1572 42.9115 174.2088 33 G 4.6290 8.8044 104.9459 45.4448 0.0000 172.3986 34 T 5.0131 8.8456 114.5120 60.7789 71.0858 174.5517 35 R 4.5119 8.8115 123.7608 56.3561 31.3318 176.1966 36 D 4.5241 8.1998 119.2944 53.7207 40.5334 176.6100 37 R 3.7796 8.6309 127.7679 58.0628 30.3235 176.8718 38 S 4.4980 8.5040 111.3596 58.2130 63.4826 173.8857 39 D 4.3589 7.6148 121.3066 55.0850 41.2183 176.0674 40 Q 4.2119 8.5036 123.5874 56.8990 29.2409 175.8313 41 H 4.7890 8.8370 116.5936 55.4822 29.3403 175.0060 42 I 4.4050 7.0160 110.4137 60.5558 38.4671 175.0690 43 Q 4.2362 7.2951 121.7522 55.2998 30.0587 174.6908 44 F 5.3207 9.1503 122.4843 55.6221 43.4617 173.8295 45 Q 4.8343 9.4313 124.2787 54.6149 30.4045 174.3671 46 L 5.1917 8.6297 126.9899 53.9545 43.3098 176.4303 47 S 4.5902 8.6124 115.7671 56.5636 66.8519 172.4340 48 A 4.5674 8.3576 123.4829 52.3390 20.0778 174.1189 49 E 3.8321 9.2558 124.5498 57.5604 28.3074 178.2096 50 S 4.5882 5.8100 113.5030 56.7474 65.1594 173.7696 51 V 3.8000 8.2200 121.4794 64.9383 31.4669 176.3643 52 G 3.9122 9.2477 115.0165 45.0863 0.0000 171.8556 53 E 5.0742 8.3929 120.3563 54.6770 31.8813 175.6357 54 V 4.8660 8.9341 116.7942 59.8077 36.6164 173.9361 55 Y 5.1652 8.7378 120.1030 56.4730 40.9840 175.2129 56 I 4.2595 8.6123 123.3651 59.6162 39.9572 173.9153 57 K 4.6358 8.5751 129.3712 53.9986 34.6070 175.2689 58 S 4.4552 9.1217 123.5411 58.8574 62.6162 174.8506 59 T 3.9060 8.4058 118.2844 64.0021 68.7922 175.7692 60 E 4.0761 8.1413 122.6997 57.9745 29.9815 176.7212 61 T 4.3272 7.8287 106.0841 60.5484 70.1476 175.4096 62 G 3.8321 8.1660 109.9364 45.4716 0.0000 173.8234 63 Q 4.4600 7.5915 118.7905 56.0049 30.2523 174.5796 64 Y 4.9771 8.9246 119.9947 56.0486 40.6020 175.1614 65 L 4.3815 8.8531 125.8634 55.3857 43.4527 175.5624 66 A 5.1573 8.5909 125.7661 50.9653 23.2941 174.4567 67 M 5.3822 8.5613 119.0651 53.9170 35.0268 175.5269 68 D 5.2462 9.5485 125.8524 51.6799 41.1869 177.0619 69 T 4.1610 8.5443 108.4621 64.0340 68.6045 174.4444 70 D 4.6244 8.4459 120.5586 54.0466 41.5675 176.9953 71 G 3.2156 8.6222 108.7915 45.0739 0.0000 172.8825 72 L 4.7220 7.9380 119.9086 53.0716 43.0169 176.1535 73 L 5.0799 8.3304 122.7724 55.1729 42.8687 175.4509 74 Y 4.7876 8.7482 118.5522 56.3333 41.8799 173.1962 75 G 4.2840 9.0761 108.7974 45.1918 0.0000 173.2498 76 S 5.0352 9.2509 121.4780 56.8686 63.9018 175.3468 77 Q 4.2957 9.0477 125.1551 58.2224 28.9250 176.4492 78 T 4.5934 7.7085 106.5710 58.7899 71.6578 172.1284 79 P 3.8774 0.0000 0.0000 61.5260 30.9222 174.2424 80 N 5.1446 8.0011 122.3436 50.6309 40.4964 174.3763 81 E 3.9521 8.7737 114.3758 59.7537 29.1585 178.3757 82 E 4.0643 8.7514 118.0866 57.8967 29.7254 177.4802 83 C 4.9994 7.9299 115.1656 58.8573 29.2057 173.3894 84 L 4.2200 7.0636 121.2043 53.8203 42.6170 175.8675 85 F 5.2664 8.9124 122.1268 55.4751 43.2202 174.5020 86 L 4.7203 9.2330 123.4226 54.1700 42.4307 175.7020 87 E 4.4995 8.8784 127.0869 55.2440 30.1654 175.6996 88 R 4.8267 8.4368 125.4301 54.0219 34.6999 174.7381 89 L 4.7309 8.7736 124.0448 55.1752 43.0874 175.7992 90 E 4.7080 9.1808 125.0213 55.1676 33.6314 174.8956 91 E 3.9864 9.7123 123.2869 57.9045 27.3318 174.3539 92 N 4.3259 8.5557 110.3651 54.1752 36.6672 174.0916 93 H 4.7888 8.5974 116.2906 57.7456 36.1736 173.4365 94 Y 4.7276 7.8567 116.0101 57.4534 40.1056 173.6192 95 N 5.5955 9.6858 118.2228 51.9212 41.3156 174.5717 96 T 5.3239 8.9221 113.0482 60.1915 72.7963 172.8199 97 Y 4.9918 8.6620 119.1047 56.6120 41.5510 174.1442 98 I 4.5271 8.5420 126.1902 59.1875 39.5110 175.5786 99 S 4.0316 8.9823 122.2615 58.8595 62.9647 175.0753 100 K 3.9126 8.6262 128.9811 59.3044 32.3313 178.6888 101 K 3.7707 7.9148 118.3783 59.1146 32.1639 176.8323 102 H 4.7256 7.9106 115.1309 54.9562 29.5760 176.3260 103 A 4.0291 8.0083 124.9102 54.5481 18.2994 180.7809 104 E 3.8926 7.9423 112.1531 58.4748 29.8186 177.7065 105 K 3.9845 7.6785 117.6639 55.7183 32.7605 175.8306 106 N 3.9569 7.4411 115.3023 53.9673 36.3196 174.5989 107 W 5.0798 7.6856 117.7355 55.7394 31.0465 177.1503 108 F 5.4055 9.0614 123.7017 55.5766 41.4219 175.5809 109 V 4.0588 8.9083 122.1042 62.7269 31.7813 175.5668 110 G 4.5077 8.7287 113.4149 45.2660 0.0000 171.1512 111 L 5.3529 7.9918 119.6268 52.5501 45.1761 177.2070 112 K 4.2589 9.0737 122.2911 55.2750 33.0917 178.4039 113 K 3.8249 8.4435 119.5549 59.6098 31.8927 178.0419 114 N 4.4921 8.0139 113.3159 53.0200 37.6411 175.8341 115 G 3.4836 8.3655 108.8737 45.3334 0.0000 173.7280 116 S 4.7318 8.3062 115.0372 57.1368 64.4360 173.4667 117 C 4.7140 8.3264 119.2428 59.9319 28.5727 173.2002 118 K 4.4618 8.7762 123.9031 55.4811 33.6406 175.8438 119 R 4.4072 8.2874 123.2571 54.7194 31.8352 177.4295 120 G 3.3860 8.8344 113.8462 48.2751 0.0000 174.1598 121 P 4.3371 0.0000 0.0000 64.3462 31.3775 177.3257 122 R 4.4693 7.9060 116.1826 55.8736 30.2197 175.9084 123 T 5.3046 7.4960 108.0750 59.5934 71.2401 173.1924 124 H 4.6868 7.9712 114.6231 54.9148 30.4697 173.1264 125 Y 3.9037 8.7123 118.6355 60.1975 38.0789 177.2268 126 G 4.0421 9.0451 111.3737 45.3704 0.0000 173.7848 127 Q 4.2806 7.3391 118.8991 54.8980 30.0928 176.9770 128 K 3.8320 8.2242 118.7799 58.5873 32.9546 179.4622 129 A 3.8458 7.7407 121.6999 54.3461 18.3708 178.4043 130 I 4.3602 7.2275 106.7642 61.0224 38.4770 175.2790 131 L 4.3231 7.2540 123.2523 53.8148 42.6786 175.7676 132 W 5.3629 9.4314 124.1082 54.7028 33.1797 174.4443 133 L 5.3195 9.4175 125.3112 52.6569 44.1498 173.7541 134 P 5.1693 0.0000 0.0000 62.8421 32.5383 175.6974 135 L 5.0899 9.1131 122.2171 52.1016 45.9395 174.3896 136 P 4.6844 0.0000 0.0000 62.8019 32.4163 176.7592 137 V 3.8093 8.2035 113.4593 61.8203 31.6411 176.2357 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 1C H 8.44 4.78 0.00 3.12 3.45 0.00 5.65 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1D H 8.70 4.69 0.00 3.18 3.21 0.00 5.64 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1E H 7.60 5.09 0.00 3.13 3.27 0.00 5.70 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 1F H 8.88 4.67 0.00 3.32 3.39 0.00 5.66 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 1G F 8.42 4.77 0.00 2.95 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 2 N 8.50 4.64 0.00 2.96 2.79 0.00 0.00 6.91 6.74 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 3 L 8.10 4.73 0.00 1.51 1.44 0.68 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.49 0.00 2.18 2.11 0.00 3.68 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.90 0.00 5 P 0.00 4.37 0.00 2.17 2.08 0.00 3.71 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 6 G 8.89 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 N 7.88 4.46 0.00 2.62 2.65 0.00 0.00 5.81 7.55 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 8 Y 8.10 4.84 0.00 3.05 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 9 K 8.19 4.01 0.00 1.87 1.93 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.57 7.81 10 K 7.63 4.59 0.00 1.76 1.73 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.42 7.81 11 P 0.00 4.91 0.00 2.06 2.07 0.00 3.80 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 12 K 9.20 4.80 0.00 2.01 1.97 0.00 1.40 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.60 1.54 7.81 13 L 9.24 5.27 0.00 1.83 1.86 0.62 0.69 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 14 L 8.84 5.14 0.00 1.47 1.41 0.11 0.67 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 15 Y 9.39 4.98 0.00 3.18 3.10 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 16 C 8.39 3.75 0.00 1.33 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 0.00 0.00 0.00 0.00 17 S 8.16 3.87 0.00 3.64 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 N 8.02 4.17 0.00 2.53 2.63 0.00 0.00 6.69 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 19 G 7.44 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 G 7.62 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 0.00 0.00 0.00 21 H 7.24 4.80 0.00 3.01 3.29 0.00 5.81 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 F 9.16 5.23 0.00 3.19 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 23 L 9.46 4.60 0.00 1.47 1.58 0.88 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 24 R 9.30 5.11 0.00 2.02 2.11 0.00 3.21 0.00 0.00 3.37 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.87 0.00 25 I 8.33 5.02 2.02 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 1.31 1.14 0.96 0.00 0.00 26 L 8.87 4.11 0.00 1.82 1.51 0.92 1.15 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 27 P 0.00 4.24 0.00 2.01 2.13 0.00 3.55 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.03 0.00 28 D 7.95 4.47 0.00 2.79 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.69 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 T 8.34 4.39 4.27 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 1.29 0.00 0.00 31 V 7.88 4.85 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 0.88 0.00 0.00 0.96 0.00 0.00 32 D 8.43 4.60 0.00 2.86 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 33 G 8.80 4.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.85 5.01 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 1.39 0.00 0.00 35 R 8.81 4.51 0.00 1.89 2.03 0.00 3.23 0.00 0.00 3.12 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.44 0.00 36 D 8.20 4.52 0.00 2.83 2.64 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 37 R 8.63 3.78 0.00 1.85 1.91 0.00 3.31 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.21 0.00 38 S 8.50 4.50 0.00 3.94 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 39 D 7.61 4.36 0.00 2.89 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 40 Q 8.50 4.21 0.00 1.81 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 7.25 0.00 0.00 0.00 0.00 0.00 2.26 2.23 0.00 41 H 8.84 4.79 0.00 3.26 3.39 0.00 5.77 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.02 4.40 1.93 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.46 1.08 0.00 0.00 43 Q 7.30 4.24 0.00 1.84 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.94 6.88 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 44 F 9.15 5.32 0.00 2.88 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 45 Q 9.43 4.83 0.00 2.12 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.88 0.00 0.00 0.00 0.00 0.00 2.29 2.40 0.00 46 L 8.63 5.19 0.00 1.74 1.37 0.94 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.61 4.59 0.00 3.91 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 48 A 8.36 4.57 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 49 E 9.26 3.83 0.00 1.70 1.71 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 2.23 2.31 0.00 50 S 5.81 4.59 0.00 4.01 3.82 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 51 V 8.22 3.80 2.31 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 1.00 0.00 0.00 1.04 0.00 0.00 52 G 9.25 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 0.00 0.00 0.00 53 E 8.39 5.07 0.00 1.97 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 2.21 2.28 0.00 54 V 8.93 4.87 1.94 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 0.64 0.00 0.00 1.14 0.00 0.00 55 Y 8.74 5.17 0.00 2.97 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 56 I 8.61 4.26 1.56 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 0.81 0.65 0.22 0.00 0.00 57 K 8.58 4.64 0.00 1.43 1.60 0.00 1.35 0.00 0.00 1.28 0.00 0.00 2.70 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.96 0.21 7.81 58 S 9.12 4.46 0.00 3.94 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 T 8.41 3.91 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 1.15 0.00 0.00 60 E 8.14 4.08 0.00 1.85 1.89 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 2.16 2.31 0.00 61 T 7.83 4.33 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 62 G 8.17 3.83 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 0.00 0.00 0.00 63 Q 7.59 4.46 0.00 2.03 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.73 0.00 0.00 0.00 0.00 0.00 2.55 2.35 0.00 64 Y 8.92 4.98 0.00 2.92 2.92 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 65 L 8.85 4.38 0.00 1.43 1.34 0.71 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 66 A 8.59 5.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 M 8.56 5.38 0.00 2.24 2.23 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.68 0.00 68 D 9.55 5.25 0.00 2.99 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 69 T 8.54 4.16 4.37 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 1.33 0.00 0.00 70 D 8.45 4.62 0.00 2.78 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 71 G 8.62 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 0.00 0.00 0.00 72 L 7.94 4.72 0.00 2.05 1.62 0.88 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.33 5.08 0.00 1.58 1.62 0.91 0.86 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 74 Y 8.75 4.79 0.00 3.01 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 75 G 9.08 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 0.00 0.00 0.00 0.00 76 S 9.25 5.04 0.00 3.73 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 Q 9.05 4.30 0.00 2.15 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.56 0.00 0.00 0.00 0.00 0.00 2.44 2.34 0.00 78 T 7.71 4.59 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 1.22 0.00 0.00 79 P 0.00 3.88 0.00 0.86 0.49 0.00 3.42 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.26 0.00 80 N 8.00 5.14 0.00 2.90 2.93 0.00 0.00 5.91 7.66 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 81 E 8.77 3.95 0.00 2.10 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 2.35 2.33 0.00 82 E 8.75 4.06 0.00 2.23 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 2.37 2.45 0.00 83 C 7.93 5.00 0.00 3.22 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 84 L 7.06 4.22 0.00 1.46 1.29 0.78 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 85 F 8.91 5.27 0.00 3.05 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 86 L 9.23 4.72 0.00 1.48 1.56 0.85 0.69 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 87 E 8.88 4.50 0.00 2.12 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 0.00 2.15 1.85 0.00 88 R 8.44 4.83 0.00 1.79 1.79 0.00 3.09 0.00 0.00 2.83 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.59 0.00 89 L 8.77 4.73 0.00 1.51 1.70 0.99 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 90 E 9.18 4.71 0.00 2.21 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 2.30 2.42 0.00 91 E 9.71 3.99 0.00 2.37 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 2.29 2.38 0.00 92 N 8.56 4.33 0.00 2.83 2.88 0.00 0.00 6.86 8.16 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 93 H 8.60 4.79 0.00 2.85 3.01 0.00 5.94 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 Y 7.86 4.73 0.00 3.12 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 95 N 9.69 5.60 0.00 3.03 2.53 0.00 0.00 6.96 6.94 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 96 T 8.92 5.32 4.63 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 1.39 0.00 0.00 97 Y 8.66 4.99 0.00 2.70 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 98 I 8.54 4.53 1.68 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.05 0.50 0.50 0.00 0.00 99 S 8.98 4.03 0.00 4.09 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 0.00 100 K 8.63 3.91 0.00 1.68 1.64 0.00 1.59 0.00 0.00 1.44 0.00 0.00 2.80 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.29 7.81 101 K 7.91 3.77 0.00 1.58 1.60 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.93 1.28 7.81 102 H 7.91 4.73 0.00 3.08 2.33 0.00 5.69 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 8.01 4.03 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 0.00 104 E 7.94 3.89 0.00 1.78 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 2.08 2.12 0.00 105 K 7.68 3.98 0.00 0.79 1.11 0.00 0.61 0.00 0.00 0.92 0.00 0.00 2.58 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.05 0.87 7.81 106 N 7.44 3.96 0.00 3.03 3.09 0.00 0.00 6.89 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 W 7.69 5.08 0.00 3.24 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 0.00 108 F 9.06 5.41 0.00 2.91 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 0.00 109 V 8.91 4.06 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 0.41 0.00 0.00 0.53 0.00 0.00 110 G 8.73 4.51 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 0.00 0.00 0.00 111 L 7.99 5.35 0.00 1.29 1.42 1.07 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 112 K 9.07 4.26 0.00 1.86 1.67 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.36 7.81 113 K 8.44 3.82 0.00 1.69 1.84 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.36 7.81 114 N 8.01 4.49 0.00 2.78 2.90 0.00 0.00 6.16 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 0.00 115 G 8.37 3.48 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 0.00 116 S 8.31 4.73 0.00 3.96 3.98 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 0.00 117 C 8.33 4.71 0.00 2.89 2.92 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 0.00 118 K 8.78 4.46 0.00 1.81 1.69 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.37 7.81 119 R 8.29 4.41 0.00 1.65 1.59 0.00 3.12 0.00 0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 120 G 8.83 3.39 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 0.00 121 P 0.00 4.34 0.00 1.93 2.18 0.00 3.07 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.56 0.00 122 R 7.91 4.47 0.00 1.85 1.92 0.00 3.27 0.00 0.00 3.28 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.65 0.00 123 T 7.50 5.30 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 124 H 7.97 4.69 0.00 3.45 3.51 0.00 5.68 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 Y 8.71 3.90 0.00 3.13 2.92 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 0.00 126 G 9.05 4.04 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 0.00 0.00 0.00 127 Q 7.34 4.28 0.00 1.80 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.74 0.00 0.00 0.00 0.00 0.00 2.14 1.89 0.00 128 K 8.22 3.83 0.00 1.76 1.62 0.00 1.54 0.00 0.00 1.66 0.00 0.00 2.82 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.26 7.81 129 A 7.74 3.85 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 0.00 130 I 7.23 4.36 1.59 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.40 0.51 0.00 0.00 131 L 7.25 4.32 0.00 1.09 0.61 0.45 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 132 W 9.43 5.36 0.00 3.64 3.32 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 0.00 133 L 9.42 5.32 0.00 2.10 1.80 0.82 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 5.17 0.00 2.24 2.22 0.00 3.89 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.11 0.00 135 L 9.11 5.09 0.00 1.72 1.63 1.12 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 136 P 0.00 4.68 0.00 2.08 2.07 0.00 3.80 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 2.00 2.01 0.00 137 V 8.20 3.81 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 0.69 0.00 0.00 0.92 0.00 0.00