NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3812 8.2644 122.4771 52.1813 20.2164 176.0048 2 T 4.3318 8.5609 109.3261 58.6174 68.8460 171.9585 3 K 4.8151 9.0734 130.9924 56.1728 35.0088 176.1813 4 A 5.0686 8.9340 127.0487 50.8566 21.6614 176.1079 5 V 4.5430 8.8760 117.8496 60.2489 34.5619 174.4116 6 A 5.0556 9.0973 128.0013 50.1479 21.2390 175.3479 7 V 4.4194 8.2554 123.8892 61.4468 33.0251 174.0685 8 L 4.7666 8.8569 128.9223 53.6303 43.1170 176.2364 9 K 4.5124 8.9624 122.3414 56.3945 36.0922 174.7139 10 G 3.7381 9.1780 113.5244 45.6129 0.0000 174.9337 11 D 4.5717 8.9863 120.4661 53.4956 46.7144 177.6440 12 G 3.8283 9.6014 112.6734 46.2012 0.0000 171.9135 13 P 4.2711 0.0000 0.0000 64.2876 32.6323 177.0896 14 V 4.3339 8.1552 121.5455 62.2897 32.5313 174.8301 15 Q 4.9768 9.0618 126.1531 54.5112 34.2761 174.6198 16 G 4.3451 9.1018 107.2684 45.2823 0.0000 171.4577 17 I 4.9851 8.5654 127.6308 59.2960 40.3797 174.5952 18 I 4.9683 8.2599 129.0792 59.8260 41.4678 174.0023 19 N 5.0003 8.6065 124.8620 52.2850 40.5126 174.5028 20 F 4.2498 8.4809 121.8266 55.5786 41.2101 174.3773 21 E 4.4617 8.7590 127.2535 55.4697 30.4717 174.8969 22 Q 5.0450 9.1549 129.1928 54.2804 31.7293 176.1721 23 K 4.4296 8.9275 124.2587 57.5853 35.7195 176.9748 24 E 4.6409 8.3633 112.5180 56.1080 28.7683 177.5552 25 S 4.7221 9.1810 110.1972 58.2887 67.2528 174.5892 26 N 4.8956 8.4107 115.7354 52.6353 40.4893 174.4608 27 G 4.1662 9.1237 107.2161 43.5159 0.0000 171.3322 28 P 4.6256 0.0000 0.0000 62.2167 32.4685 175.5238 29 V 4.6554 8.5914 119.5120 61.0615 34.5578 174.0691 30 K 4.8904 8.8966 129.1039 55.4010 33.7365 175.2551 31 V 4.5754 9.1172 127.6781 60.7769 34.6180 174.1511 32 W 5.3826 7.3762 122.6850 55.0533 32.1214 174.2695 33 G 4.9200 7.5925 108.6897 45.1609 0.0000 170.9271 34 S 5.1197 7.9899 113.8128 56.5152 65.5664 173.2538 35 I 4.5942 8.9611 126.6374 59.5578 38.5134 174.6782 36 K 4.9059 9.0749 126.6762 55.5935 35.7652 177.3241 37 G 3.8018 8.8819 109.4024 45.4873 0.0000 173.7578 38 L 4.2633 7.4646 119.7317 54.0849 42.7912 175.5608 39 T 4.6906 7.9303 114.3096 60.0146 69.0090 174.0255 40 E 4.0901 8.3736 123.6207 57.2058 30.2887 177.1069 41 G 3.8608 8.6844 106.7259 44.2009 0.0000 172.6326 42 L 4.5890 7.9173 117.1088 54.6520 43.2673 176.5316 43 H 5.6967 8.2444 118.0855 53.4065 33.2486 173.4887 44 G 4.0393 8.9590 110.6768 47.0244 0.0000 172.5639 45 F 5.2999 8.2792 124.5727 57.2423 41.6209 172.0221 46 H 5.1734 8.6888 122.6922 53.6873 33.0157 173.2533 47 V 4.3785 8.4005 116.7695 61.0756 32.3940 176.0961 48 H 5.1030 8.9699 124.2851 54.2617 30.1935 175.2830 49 E 3.0507 8.4144 117.5294 57.1879 29.8536 178.3600 50 F 4.0093 8.0573 122.1284 57.0924 37.7756 175.2682 51 G 4.4578 8.4628 106.8203 44.2325 0.0000 172.9988 52 D 4.5145 8.0791 120.6232 54.0149 41.7500 176.7235 53 N 4.9588 8.3764 126.4666 51.9702 37.1010 175.0253 54 T 4.3881 8.5715 109.7387 63.3379 71.2029 174.8389 55 A 4.5004 7.9124 124.7079 52.1837 19.5628 178.6936 56 G 3.8546 7.3136 114.3621 48.5941 0.0000 177.7055 57 C 4.2854 8.9001 125.9875 61.2538 31.5696 172.9390 58 T 4.5471 7.5685 116.3156 64.0219 69.4327 175.0643 59 S 4.6101 7.6156 124.2538 57.8633 66.4353 177.4900 60 A 3.9894 9.1878 135.0000 53.4719 19.2282 177.6909 61 G 4.0101 8.5218 117.3373 45.9016 0.0000 174.8684 62 P 4.6192 0.0000 0.0000 61.6548 33.0114 174.6559 63 H 4.6547 8.2983 115.5898 55.4144 29.2014 174.9057 64 F 4.1877 8.1221 124.5163 58.6539 40.7559 175.7797 65 N 4.8423 8.4591 127.1947 51.8143 38.2521 174.7056 66 P 3.6315 0.0000 0.0000 64.8945 31.8165 177.3998 67 L 4.1972 7.5297 116.1327 53.8212 42.6898 175.2438 68 S 3.6243 8.2528 112.2409 58.3367 60.0604 168.0229 69 R 4.6940 7.1510 116.2373 54.5531 33.7584 175.7045 70 K 4.2699 9.0647 121.2648 55.9931 33.7816 175.2955 71 H 4.2933 9.0235 122.3136 55.8781 30.8211 175.5874 72 G 3.9195 7.5384 108.3549 45.8764 0.0000 170.2303 73 G 3.9478 7.3397 109.4634 45.9858 0.0000 173.1810 74 P 4.5931 0.0000 0.0000 62.4105 31.9154 176.8749 75 K 4.5915 7.6517 114.1131 57.3644 37.6770 175.9593 76 D 4.6791 7.9125 118.1809 53.1294 42.3361 175.8975 77 E 4.2995 8.4914 123.8847 57.3683 30.8192 177.3845 78 E 3.8820 8.4238 116.5691 58.7060 30.0186 173.9828 79 R 3.5456 8.1914 125.3997 54.9655 30.8870 175.2531 80 H 4.3168 8.0543 121.1240 55.8537 29.2841 176.9109 81 V 3.6534 8.4495 122.6402 65.8378 31.7080 176.7200 82 G 4.3594 8.0075 107.2276 45.1597 0.0000 172.3455 83 D 5.1129 8.0253 119.6338 52.3775 43.2512 176.9490 84 L 4.7145 8.1862 127.9717 54.3833 40.3557 177.1630 85 G 3.9360 8.0769 108.1838 45.9118 0.0000 170.9407 86 N 5.1873 8.4247 117.2420 51.3020 41.0017 175.1195 87 V 3.9523 8.8525 114.9284 60.3257 33.0245 175.1750 88 T 4.8148 8.2756 123.4967 62.1900 69.8911 174.3931 89 A 4.6883 9.0424 129.4223 51.1058 21.4277 176.0345 90 D 5.0517 8.7477 120.7806 52.5429 43.3098 177.4101 91 K 4.1376 8.6254 119.0093 59.3342 32.7349 177.8560 92 D 4.5206 8.2081 117.5162 54.7428 40.5047 176.8284 93 G 4.1824 8.5447 107.3745 44.3590 0.0000 173.4469 94 V 4.9419 7.4347 118.1464 59.5993 35.0809 174.3229 95 A 4.9245 8.9028 126.6436 49.7926 20.2301 175.3689 96 D 5.1629 8.5547 122.5909 53.9251 42.0298 176.1860 97 V 4.3932 8.9024 127.1323 60.8387 33.9938 175.4408 98 S 5.1890 8.2704 116.0453 57.4875 65.6461 173.1871 99 I 4.8352 9.1994 124.3665 59.9470 42.1020 173.5707 100 E 5.1712 8.5619 123.7484 55.1724 32.7046 173.7038 101 D 4.8551 9.2395 124.9193 52.5242 45.3327 175.2020 102 S 4.9775 8.4344 118.0713 58.3078 63.1309 174.5260 103 V 4.3973 8.5596 117.6509 62.1232 32.7094 175.2132 104 I 4.6892 7.3551 112.4503 60.0468 40.5228 173.4482 105 S 4.5562 7.9100 113.9710 57.3652 65.8194 174.9751 106 L 4.2126 8.1736 124.3921 54.1026 39.1023 177.6466 107 S 4.4968 7.5193 114.8942 57.3424 65.4779 174.5608 108 G 3.9205 8.5550 117.0630 46.3548 0.0000 172.5300 109 D 4.7628 8.4170 124.3230 54.2429 41.4657 176.7087 110 H 4.9355 7.6971 111.0607 55.3048 31.9783 173.5436 111 S 4.2033 7.4089 115.2744 58.9278 61.6204 173.7376 112 I 4.4956 7.9089 109.5235 60.1998 39.2389 175.3784 113 I 4.2659 7.6342 120.9322 61.1912 38.7396 176.1792 114 G 3.7956 9.0447 112.3017 45.6483 0.0000 173.0390 115 R 4.5767 7.3764 120.2757 55.1804 33.2749 174.3436 116 T 5.1478 8.2718 116.0827 61.4973 71.5911 173.3847 117 L 5.1867 8.7716 126.9193 53.1135 45.4063 175.2758 118 V 4.5895 8.6115 125.0489 59.7286 34.4088 174.5468 119 V 5.0899 8.0253 121.6997 60.5298 33.6638 174.7072 120 H 5.0976 8.9032 121.4006 54.3010 30.3669 174.9077 121 E 4.2007 9.2949 122.4207 59.0849 30.2895 176.3413 122 K 4.7745 8.4538 116.9831 53.7380 37.0877 175.3724 123 A 4.3026 8.4371 121.4665 52.2543 19.3467 175.9861 124 D 4.9878 8.4411 119.8456 52.7532 42.5441 176.1045 125 D 4.3159 9.2760 126.0247 56.3267 41.8235 176.0726 126 L 3.6284 8.3154 116.6470 53.8429 39.0981 176.0605 127 G 4.7323 6.9971 113.0059 45.6828 0.0000 172.1589 128 K 4.6226 5.9050 132.1135 54.4701 34.9739 176.8613 129 G 4.1853 8.6188 127.0700 45.5850 0.0000 173.3233 130 G 3.9411 8.7045 114.8209 45.3510 0.0000 171.8612 131 N 4.8115 7.4446 115.5385 50.3739 40.0933 174.8786 132 E 4.0016 8.8399 118.5109 59.5302 29.6331 177.9689 133 E 3.8590 8.2881 119.0001 59.7129 29.5739 178.9368 134 S 4.1997 8.8174 114.4787 61.7311 62.7654 176.6795 135 T 4.3684 8.2142 114.9253 63.7117 68.2837 176.9322 136 K 3.9905 8.1271 121.4535 58.9489 32.4737 177.9699 137 T 4.0380 7.4658 103.2091 60.8290 70.4531 175.2232 138 G 3.8180 7.8553 111.1608 44.4472 0.0000 173.8269 139 N 4.6910 8.5808 115.9057 53.8988 38.0452 175.3623 140 A 4.6378 7.1548 119.1729 52.8460 18.8155 178.4764 141 G 3.7997 7.4767 101.3274 43.8406 0.0000 172.8089 142 S 4.5923 8.9981 116.0493 58.7089 64.3656 173.3387 143 R 4.8068 8.4268 117.0777 56.2822 31.1070 174.0290 144 L 4.2943 8.5247 121.7814 56.6547 41.0883 177.6665 145 A 4.3609 8.8933 117.2935 51.5720 20.8839 178.2261 146 C 4.9983 8.4250 115.7719 58.3705 32.8350 173.4199 147 G 4.5421 8.3438 106.3879 46.3934 0.0000 172.1092 148 V 5.0032 8.2926 119.5010 60.9741 35.3345 173.9870 149 I 4.9724 7.8868 124.6811 58.9456 39.6317 175.2332 150 G 4.1551 8.4187 114.2938 44.7150 0.0000 170.1718 151 I 4.7627 8.3565 119.6575 59.2497 38.8454 175.9061 152 A 4.7787 8.7352 128.1001 51.3779 20.1408 176.0535 153 Q 3.9999 7.8679 125.6236 57.7797 29.5611 174.6598 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 1 A 8.26 4.38 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 2 T 8.56 4.33 4.38 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 1.25 0.00 0.00 3 K 9.07 4.82 0.00 1.81 1.94 0.00 1.57 0.00 0.00 1.87 0.00 0.00 2.83 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.59 1.44 7.81 4 A 8.93 5.07 1.22 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 5 V 8.88 4.54 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 0.72 0.00 0.00 0.95 0.00 0.00 6 A 9.10 5.06 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 7 V 8.26 4.42 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 1.06 0.00 0.00 0.95 0.00 0.00 8 L 8.86 4.77 0.00 1.95 1.59 0.98 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.96 4.51 0.00 1.67 1.65 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.83 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.35 1.38 7.81 10 G 9.18 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 11 D 8.99 4.57 0.00 2.74 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 12 G 9.60 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 13 P 0.00 4.27 0.00 2.19 2.19 0.00 3.85 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 1.99 1.95 0.00 14 V 8.16 4.33 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 0.94 0.00 0.00 1.03 0.00 0.00 15 Q 9.06 4.98 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.59 0.00 0.00 0.00 0.00 0.00 2.28 2.36 0.00 16 G 9.10 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 0.00 0.00 0.00 0.00 17 I 8.57 4.99 1.90 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 1.24 1.70 1.01 0.00 0.00 18 I 8.26 4.97 1.91 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.28 0.28 0.00 0.00 19 N 8.61 5.00 0.00 1.52 2.25 0.00 0.00 6.30 7.95 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 20 F 8.48 4.25 0.00 2.80 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.76 4.46 0.00 2.10 1.79 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 2.70 2.50 0.00 22 Q 9.15 5.04 0.00 2.21 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.93 0.00 0.00 0.00 0.00 0.00 2.25 2.46 0.00 23 K 8.93 4.43 0.00 1.93 1.96 0.00 1.70 0.00 0.00 1.80 0.00 0.00 3.04 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.38 1.39 7.81 24 E 8.36 4.64 0.00 2.17 1.62 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 2.25 2.33 0.00 25 S 9.18 4.72 0.00 3.95 3.95 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 26 N 8.41 4.90 0.00 2.68 2.84 0.00 0.00 6.93 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 27 G 9.12 4.17 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 0.00 0.00 0.00 28 P 0.00 4.63 0.00 2.27 2.09 0.00 3.74 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.97 0.00 29 V 8.59 4.66 2.22 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 1.18 0.00 0.00 1.06 0.00 0.00 30 K 8.90 4.89 0.00 2.16 2.02 0.00 1.79 0.00 0.00 1.72 0.00 0.00 2.80 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.73 1.60 7.81 31 V 9.12 4.58 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 0.36 0.00 0.00 0.88 0.00 0.00 32 W 7.38 5.38 0.00 3.53 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 33 G 7.59 4.92 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 34 S 7.99 5.12 0.00 3.88 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 35 I 8.96 4.59 1.79 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.71 1.03 0.00 0.00 36 K 9.07 4.91 0.00 1.81 1.88 0.00 1.40 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.37 1.51 7.81 37 G 8.88 3.80 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 0.00 0.00 0.00 38 L 7.46 4.26 0.00 1.64 1.41 0.81 0.38 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 39 T 7.93 4.69 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 1.28 0.00 0.00 40 E 8.37 4.09 0.00 2.26 1.87 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 2.29 2.32 0.00 41 G 8.68 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 42 L 7.92 4.59 0.00 1.64 1.73 0.91 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 43 H 8.24 5.70 0.00 3.15 3.36 0.00 5.64 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 44 G 8.96 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 45 F 8.28 5.30 0.00 3.00 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 46 H 8.69 5.17 0.00 2.92 3.02 0.00 5.86 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 8.40 4.38 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.95 0.00 0.00 48 H 8.97 5.10 0.00 3.01 3.20 0.00 5.66 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.41 3.05 0.00 1.16 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.91 0.00 50 F 8.06 4.01 0.00 3.20 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 51 G 8.46 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 52 D 8.08 4.51 0.00 2.53 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 53 N 8.38 4.96 0.00 2.78 2.78 0.00 0.00 6.04 7.74 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 54 T 8.57 4.39 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 55 A 7.91 4.50 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 G 7.31 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 0.00 0.00 0.00 57 C 8.90 4.29 0.00 2.94 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 T 7.57 4.55 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 1.21 0.00 0.00 59 S 7.62 4.61 0.00 3.91 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 60 A 9.19 3.99 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 G 8.52 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 62 P 0.00 4.62 0.00 2.10 2.06 0.00 3.78 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 63 H 8.30 4.65 0.00 3.05 3.11 0.00 5.75 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 64 F 8.12 4.19 0.00 3.03 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 N 8.46 4.84 0.00 2.68 2.70 0.00 0.00 6.91 8.05 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 66 P 0.00 3.63 0.00 1.83 1.13 0.00 3.43 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.55 0.00 67 L 7.53 4.20 0.00 1.57 1.68 0.89 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.25 3.62 0.00 3.95 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 69 R 7.15 4.69 0.00 1.94 1.82 0.00 3.22 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.55 0.00 70 K 9.06 4.27 0.00 1.93 1.76 0.00 1.61 0.00 0.00 1.72 0.00 0.00 2.77 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.45 7.81 71 H 9.02 4.29 0.00 3.50 3.15 0.00 5.94 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 72 G 7.54 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 73 G 7.34 3.95 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 0.00 0.00 0.00 74 P 0.00 4.59 0.00 2.06 2.11 0.00 3.67 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 2.05 2.09 0.00 75 K 7.65 4.59 0.00 1.78 1.85 0.00 1.44 0.00 0.00 1.63 0.00 0.00 3.22 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.31 1.64 7.81 76 D 7.91 4.68 0.00 2.82 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 77 E 8.49 4.30 0.00 1.95 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 2.21 2.27 0.00 78 E 8.42 3.88 0.00 2.11 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 2.55 2.21 0.00 79 R 8.19 3.55 0.00 1.91 1.92 0.00 3.25 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.78 0.00 80 H 8.05 4.32 0.00 3.65 3.29 0.00 5.70 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 81 V 8.45 3.65 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 0.78 0.00 0.00 0.88 0.00 0.00 82 G 8.01 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 83 D 8.03 5.11 0.00 2.80 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 84 L 8.19 4.71 0.00 1.88 1.81 1.12 0.75 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 85 G 8.08 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 N 8.42 5.19 0.00 2.78 2.80 0.00 0.00 5.81 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 87 V 8.85 3.95 1.74 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 -0.32 0.00 0.00 0.78 0.00 0.00 88 T 8.28 4.81 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 1.17 0.00 0.00 89 A 9.04 4.69 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 90 D 8.75 5.05 0.00 2.77 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 K 8.63 4.14 0.00 1.92 2.14 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.41 7.81 92 D 8.21 4.52 0.00 2.67 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 93 G 8.54 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 0.00 0.00 0.00 94 V 7.43 4.94 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 0.90 0.00 0.00 0.96 0.00 0.00 95 A 8.90 4.92 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 96 D 8.55 5.16 0.00 2.67 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 97 V 8.90 4.39 1.87 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 0.66 0.00 0.00 0.80 0.00 0.00 98 S 8.27 5.19 0.00 3.87 3.87 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 99 I 9.20 4.84 1.99 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.77 0.94 0.00 0.00 100 E 8.56 5.17 0.00 1.98 1.80 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 2.23 2.53 0.00 101 D 9.24 4.86 0.00 2.77 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.43 4.98 0.00 3.99 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 0.00 103 V 8.56 4.40 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.93 0.00 0.00 104 I 7.36 4.69 1.87 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.99 0.94 0.00 0.00 105 S 7.91 4.56 0.00 3.96 3.73 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 0.00 106 L 8.17 4.21 0.00 1.64 1.59 0.92 0.85 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 0.00 107 S 7.52 4.50 0.00 3.83 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 G 8.56 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 0.00 109 D 8.42 4.76 0.00 2.45 2.19 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 0.00 110 H 7.70 4.94 0.00 3.14 3.28 0.00 5.74 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 S 7.41 4.20 0.00 4.09 3.70 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 0.00 112 I 7.91 4.50 1.37 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.59 0.83 0.00 0.00 113 I 7.63 4.27 2.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.82 0.85 0.00 0.00 114 G 9.04 3.80 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 0.00 0.00 0.00 115 R 7.38 4.58 0.00 1.84 1.73 0.00 3.18 0.00 0.00 3.35 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.78 0.00 116 T 8.27 5.15 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 117 L 8.77 5.19 0.00 1.55 1.34 -0.19 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 118 V 8.61 4.59 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.84 0.00 0.00 119 V 8.03 5.09 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 0.99 0.00 0.00 1.10 0.00 0.00 120 H 8.90 5.10 0.00 3.22 3.52 0.00 5.66 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 E 9.29 4.20 0.00 2.17 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 2.37 2.34 0.00 122 K 8.45 4.77 0.00 1.86 1.66 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.34 1.40 7.81 123 A 8.44 4.30 1.22 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 0.00 124 D 8.44 4.99 0.00 2.75 2.62 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 0.00 125 D 9.28 4.32 0.00 2.79 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 0.00 126 L 8.32 3.63 0.00 1.94 1.74 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 127 G 7.00 4.73 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 0.00 0.00 0.00 128 K 5.91 4.62 0.00 1.61 1.69 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.35 1.38 7.81 129 G 8.62 4.19 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 0.00 130 G 8.70 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 N 7.44 4.81 0.00 2.78 2.77 0.00 0.00 6.09 7.99 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 0.00 132 E 8.84 4.00 0.00 2.02 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.31 0.00 133 E 8.29 3.86 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.36 0.00 134 S 8.82 4.20 0.00 4.08 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 0.00 135 T 8.21 4.37 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 1.30 0.00 0.00 136 K 8.13 3.99 0.00 1.94 1.87 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.22 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.44 7.81 137 T 7.47 4.04 4.20 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 1.20 0.00 0.00 138 G 7.86 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 0.00 0.00 0.00 139 N 8.58 4.69 0.00 2.97 2.88 0.00 0.00 7.73 8.19 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 0.00 140 A 7.15 4.64 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 0.00 141 G 7.48 3.80 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 0.00 0.00 0.00 142 S 9.00 4.59 0.00 3.81 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 0.00 143 R 8.43 4.81 0.00 1.73 1.77 0.00 3.16 0.00 0.00 3.26 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.51 0.00 144 L 8.52 4.29 0.00 1.62 1.57 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 145 A 8.89 4.36 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 0.00 146 C 8.42 5.00 0.00 2.87 2.94 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 0.00 147 G 8.34 4.54 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 0.00 0.00 0.00 148 V 8.29 5.00 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 0.98 0.00 0.00 0.94 0.00 0.00 149 I 7.89 4.97 1.87 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 1.08 1.76 0.68 0.00 0.00 150 G 8.42 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 0.00 0.00 0.00 151 I 8.36 4.76 1.85 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 1.25 0.50 0.93 0.00 0.00 152 A 8.74 4.78 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 0.00 153 Q 7.87 4.00 0.00 2.06 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.60 0.00 0.00 0.00 0.00 0.00 2.33 2.30 0.00