NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3309 8.2649 123.5824 52.1369 19.7869 176.8191 3 R 4.1151 8.3785 118.2353 57.0389 31.7255 176.3225 4 R 3.7588 8.9359 118.2887 58.1417 29.7578 178.5589 5 R 4.2563 8.6519 124.5092 56.4835 32.1885 176.0131 6 R 4.1318 8.4411 116.5016 55.4295 30.5273 174.9358 7 A 3.5747 7.9696 118.6570 53.0098 15.2222 176.5687 8 E 4.1860 8.2193 118.9791 56.4364 30.4387 177.4421 9 V 3.6518 7.9655 120.4161 62.4131 32.1232 175.8611 10 R 3.8447 8.3818 126.8703 56.0309 29.2978 176.0613 11 Q 4.0329 8.4513 127.9096 55.5193 28.2268 175.6156 12 L 4.2020 8.1133 125.9035 55.0412 41.5086 176.2399 13 Q 4.2508 8.3154 120.2184 54.2039 29.0563 173.4126 14 P 4.3246 0.0000 0.0000 62.3751 31.8341 175.4879 15 D 4.4613 8.1281 119.0367 55.4752 41.4888 177.1430 16 L 4.7414 8.5829 123.7426 54.5344 42.0410 177.2222 17 V 4.2846 8.1104 117.8436 63.6024 34.9426 175.5398 18 Y 4.3833 8.6274 115.2020 57.0544 40.1237 175.4364 19 G 3.7450 9.4937 106.0412 44.9777 0.0000 173.6889 20 D 4.6307 7.7300 117.1103 51.6676 44.6961 175.4721 21 V 3.6357 8.8440 120.6552 64.7018 31.6289 177.8934 22 L 4.0185 8.1999 119.3442 58.3921 41.7289 179.2231 23 V 2.9987 8.0384 118.0853 66.1084 31.5474 178.2283 24 T 3.7982 7.8402 108.7969 64.5287 68.4097 175.9508 25 A 3.9218 8.3699 124.1082 55.0833 18.4280 179.3195 26 F 3.9631 8.2465 119.0554 61.3841 39.2812 177.2721 27 I 3.5269 7.4123 119.3303 64.4580 36.6569 178.0347 28 N 4.2432 7.6899 116.0936 56.3064 38.4144 177.2957 29 K 3.9897 7.3960 118.8394 59.4564 32.1525 179.2670 30 I 3.8289 7.0897 119.1891 62.8517 37.0106 176.1838 31 M 3.9399 7.5201 119.8920 55.9174 32.5479 175.3208 32 R 4.5194 8.4273 125.1330 55.5252 32.3786 175.8747 33 D 4.3174 9.5603 121.8744 55.2871 38.5024 173.4680 34 G 3.8488 8.2210 102.9867 47.3151 0.0000 175.8998 35 K 4.4518 7.2400 116.7162 53.8092 31.4974 176.7673 36 K 3.8163 7.7386 123.2470 59.5422 32.5232 176.9548 37 N 4.3406 8.2287 115.7168 56.8579 38.5190 176.6076 38 L 3.9258 8.0091 120.6274 58.0114 42.2232 178.3715 39 A 3.9768 8.1525 119.9587 55.2720 18.3112 179.1124 40 A 3.9061 8.4747 119.4049 55.5391 18.3621 179.6380 41 R 4.0648 8.0681 116.5811 59.9184 30.1953 178.3608 42 I 4.0156 7.9395 120.9523 63.8161 37.1491 177.9848 43 F 4.2397 8.6593 121.3075 61.7683 39.4037 176.7308 44 Y 4.0009 7.9151 116.3114 61.0356 37.3101 178.5711 45 D 4.3842 8.9053 120.3119 57.5400 40.9090 178.8302 46 A 3.9771 7.7241 120.6080 55.1777 18.0516 179.3012 47 C 3.7744 7.7767 115.3883 62.9351 28.1071 176.3876 48 K 4.1745 7.9435 119.1888 58.9335 31.7268 179.3916 49 I 3.8279 7.4211 119.9747 63.7827 36.8435 178.3706 50 I 3.6471 7.8103 121.3658 64.6999 36.8042 178.5185 51 Q 4.8134 7.4040 117.0025 58.1846 28.5016 178.4891 52 E 4.1145 7.7763 119.3513 59.6888 29.6177 179.0599 53 K 4.0663 8.0751 117.3173 57.6574 32.7882 176.6915 54 T 4.5983 7.9140 113.6501 60.0038 70.1446 175.4033 55 G 4.0492 8.4995 117.2773 45.8581 0.0000 173.3059 56 Q 4.6654 7.4705 116.4672 53.1339 31.9926 176.1022 57 E 4.0803 8.6379 119.6924 55.6569 29.9539 175.9039 58 P 4.2200 0.0000 0.0000 65.9664 30.8307 177.3598 59 L 3.7857 7.8831 120.1599 58.0980 42.0952 178.4706 60 K 4.0966 7.9043 119.1692 58.9028 32.2567 179.2413 61 V 3.6125 7.6214 118.9823 65.9066 31.4486 177.6895 62 F 4.0684 8.2401 120.5036 61.2335 39.1387 176.8974 63 K 3.8045 8.1150 118.0841 59.6544 31.6822 178.6895 64 Q 3.8194 7.9974 118.7040 59.6509 29.2696 178.3795 65 A 4.0811 8.2314 121.8202 55.1879 18.4226 179.5765 66 V 3.3634 8.0613 115.8838 66.0165 31.4023 178.1376 67 E 3.9515 8.6413 118.5826 59.1167 29.5465 177.8644 68 N 4.6455 7.8533 113.7911 53.9038 39.2032 175.6347 69 V 4.2878 7.6994 121.0624 62.3597 32.0028 174.9279 70 K 4.5455 7.9099 121.2929 52.9195 31.2400 172.4068 71 P 4.2918 0.0000 0.0000 62.9071 30.9716 176.6685 72 R 4.0975 8.9968 124.3331 58.9330 30.4192 175.8957 73 M 5.2324 7.7397 114.5681 53.5826 36.3366 174.0551 74 E 4.8958 8.9759 118.8790 54.8828 34.1799 174.1965 75 V 4.9068 8.3837 112.3627 59.7611 33.7449 175.9235 76 R 4.7900 9.3983 123.8827 54.5066 33.9411 174.7305 77 S 5.1287 8.3821 116.3729 56.7076 64.6631 173.7577 78 R 4.4715 8.1280 122.3186 54.9631 33.6309 173.6544 79 R 4.6966 8.2334 122.6461 55.0653 31.9030 177.4796 80 V 4.0864 7.8110 114.6648 59.7473 32.5860 175.5462 81 G 3.7469 7.8277 106.4966 45.5038 0.0000 171.1844 82 G 3.7960 7.7155 105.3788 44.8214 0.0000 174.0068 83 A 4.6092 7.6913 122.6107 50.0100 21.9356 174.6718 84 N 5.2573 8.5977 118.9599 52.1322 39.6793 174.3858 85 Y 4.9563 8.4207 121.4894 56.9018 41.0886 175.3036 86 Q 4.6253 8.1444 121.3379 54.7676 27.7149 173.6731 87 V 4.1834 8.5126 122.3150 61.4341 33.0655 172.8748 88 P 5.4777 0.0000 0.0000 61.7613 33.6286 174.3045 89 M 4.3200 8.5108 117.7346 54.7684 34.7350 174.0556 90 E 4.6131 9.0314 119.0559 56.5428 30.5605 176.4494 91 V 4.3892 8.1129 120.8537 61.3604 34.6815 174.2016 92 S 4.6426 8.3553 116.2154 56.6078 63.5095 172.8433 93 P 4.2360 0.0000 0.0000 66.5466 30.6666 178.8750 94 R 3.9112 7.9460 117.4235 58.5965 30.0187 178.9036 95 R 3.7845 7.7816 117.8960 59.5681 30.2588 178.1281 96 Q 3.9922 8.5593 118.1764 59.2047 28.8226 179.0509 97 Q 3.9540 8.1395 120.1530 59.2990 29.0184 178.3825 98 S 4.0071 8.0887 116.1600 61.6039 62.8314 176.5168 99 L 3.1810 8.1338 121.3963 58.3464 41.2663 178.6842 100 A 4.3447 8.0338 120.6233 54.2659 18.0765 179.2564 101 L 4.1247 8.2127 114.6785 57.8203 42.2340 179.7990 102 R 3.7331 8.0570 118.1867 59.3432 29.8731 178.1402 103 W 4.5756 8.6903 119.2632 60.1295 29.1819 178.2068 104 L 4.0928 8.5825 119.0741 58.2085 40.9347 180.0213 105 V 3.6224 7.5167 115.9107 66.0555 31.8179 177.6474 106 Q 4.1824 8.1122 117.5645 59.1912 28.6627 178.9107 107 A 4.2135 8.9425 121.9041 55.2163 17.9646 179.5175 108 A 4.0783 8.1447 119.2962 55.0739 18.2583 178.7447 109 N 4.4657 7.9670 112.3864 54.4846 38.9837 176.7233 110 Q 4.2356 7.8389 119.6657 57.1049 29.4573 176.7516 111 R 4.1426 6.8246 118.0017 55.5137 30.5549 174.9841 112 P 4.5088 0.0000 0.0000 63.5013 31.9760 176.5919 113 E 4.0699 7.9097 118.8316 56.9697 29.4969 176.7260 114 R 4.1149 8.0460 120.8716 58.8841 31.2144 177.4764 115 R 4.1688 7.6999 115.4183 55.6817 31.8206 177.4750 116 A 4.0566 8.8888 125.1379 55.2734 18.1893 179.4839 117 A 3.9882 8.0506 118.6953 55.7966 18.4975 180.2147 118 V 3.6090 7.7988 110.0669 64.3172 31.6432 178.9966 119 R 3.9705 7.9379 117.5037 59.3618 29.9157 178.9693 120 I 3.8447 8.1534 119.5640 65.1742 37.1726 177.5141 121 A 3.9678 8.4108 121.2866 55.3095 17.9922 178.8475 122 H 4.0086 8.9862 112.7079 58.8784 29.1319 177.5903 123 E 3.9882 8.3728 120.6480 59.3717 29.4344 178.8402 124 L 3.9967 8.1781 119.1558 57.9798 41.5357 179.4903 125 M 4.0362 7.9711 118.5875 58.6833 32.0070 178.5316 126 D 4.3381 8.2203 118.6819 57.2170 40.5572 178.9125 127 A 3.9020 8.3514 121.3555 55.2210 18.2968 179.4550 128 A 3.9853 7.9492 118.0501 55.3314 18.4470 179.0533 129 E 4.1065 8.3633 117.3384 58.9033 29.7682 177.6191 130 G 4.0486 6.0763 115.6224 45.2665 0.0000 173.6637 131 K 4.4487 7.8816 120.8260 53.9898 34.1603 175.0051 132 G 4.3572 7.8237 109.7770 41.4940 0.0000 170.4608 133 G 3.7935 8.7359 108.4174 48.0339 0.0000 175.7229 134 A 4.0238 8.0578 122.5183 54.5196 18.6281 179.5091 135 V 3.4784 7.6834 116.3406 66.2701 31.4044 178.3058 136 K 3.9680 8.1823 118.1846 59.1432 31.8814 179.5110 137 K 3.7214 7.5858 118.4229 58.6340 31.6410 179.4371 138 K 3.4800 7.2385 119.7151 59.5043 32.3063 178.4318 139 E 3.8632 7.9599 118.8276 59.4382 29.0624 179.0117 140 D 4.1881 7.8140 117.3365 57.3897 41.5318 178.1032 141 V 3.7233 7.6560 118.5854 66.1482 31.4209 177.7947 142 E 3.9946 8.4693 118.5078 59.3301 29.2056 179.4143 143 R 3.8987 7.7771 117.7863 59.6694 30.1975 178.6156 144 M 3.9728 7.7766 118.0731 59.2081 31.7611 177.8603 145 A 3.9524 7.5849 118.4785 56.1991 18.4848 179.1100 146 E 4.0581 8.0106 117.7383 58.9878 30.1784 178.5106 147 A 4.0697 8.1631 121.9395 54.9678 18.1866 178.0371 148 N 4.5312 8.5565 110.8611 53.3162 39.5706 177.7286 149 R 3.9319 7.9060 123.5533 59.4338 29.7673 177.8418 150 A 4.0356 8.0233 119.5112 55.0346 18.3827 178.0848 151 Y 3.6802 8.4186 113.3847 58.4714 37.9857 176.7178 152 A 4.3398 7.6687 121.5371 53.1834 18.5721 178.6615 153 H 4.2782 7.6460 113.8697 57.2790 29.6931 175.6345 154 Y 4.9009 7.1398 121.1809 56.9489 36.2508 176.1471 155 R 4.1307 8.5167 119.4982 56.9671 31.2418 176.9441 156 W 4.3161 7.8098 120.7825 56.8309 30.2337 174.4421 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 A 8.26 4.33 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 3 R 8.38 4.12 0.00 1.90 1.99 0.00 3.21 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 4 R 8.94 3.76 0.00 1.80 1.72 0.00 3.20 0.00 0.00 3.22 7.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 5 R 8.65 4.26 0.00 1.78 1.90 0.00 3.23 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 6 R 8.44 4.13 0.00 1.74 1.90 0.00 3.37 0.00 0.00 3.21 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 7 A 7.97 3.57 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 8 E 8.22 4.19 0.00 1.96 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 9 V 7.97 3.65 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 0.75 0.00 0.00 0.92 0.00 0.00 10 R 8.38 3.84 0.00 1.80 1.86 0.00 3.28 0.00 0.00 3.14 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 11 Q 8.45 4.03 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 12 L 8.11 4.20 0.00 1.79 1.68 0.98 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.32 4.25 0.00 2.04 2.07 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 2.33 2.39 0.00 14 P 0.00 4.32 0.00 2.10 2.04 0.00 3.78 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 15 D 8.13 4.46 0.00 2.99 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 16 L 8.58 4.74 0.00 1.75 1.69 0.96 1.00 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 17 V 8.11 4.28 2.36 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 0.35 0.00 0.00 0.75 0.00 0.00 18 Y 8.63 4.38 0.00 3.28 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 19 G 9.49 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 D 7.73 4.63 0.00 2.70 2.54 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 21 V 8.84 3.64 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 0.78 0.00 0.00 0.96 0.00 0.00 22 L 8.20 4.02 0.00 1.83 2.09 1.02 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 23 V 8.04 3.00 2.16 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 0.87 0.00 0.00 0.75 0.00 0.00 24 T 7.84 3.80 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 1.28 0.00 0.00 25 A 8.37 3.92 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 26 F 8.25 3.96 0.00 3.29 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 27 I 7.41 3.53 1.97 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.59 0.88 0.00 0.00 28 N 7.69 4.24 0.00 2.82 2.82 0.00 0.00 7.11 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 K 7.40 3.99 0.00 1.25 1.66 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.58 1.44 7.81 30 I 7.09 3.83 1.90 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.57 0.89 0.00 0.00 31 M 7.52 3.94 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.54 0.00 32 R 8.43 4.52 0.00 1.87 1.78 0.00 3.32 0.00 0.00 3.33 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.80 0.00 33 D 9.56 4.32 0.00 2.81 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 34 G 8.22 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 35 K 7.24 4.45 0.00 1.88 1.74 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.44 7.81 36 K 7.74 3.82 0.00 1.82 1.77 0.00 1.77 0.00 0.00 1.85 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.55 7.81 37 N 8.23 4.34 0.00 2.79 2.93 0.00 0.00 6.55 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 38 L 8.01 3.93 0.00 1.77 1.85 0.95 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 39 A 8.15 3.98 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 A 8.47 3.91 1.55 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 0.00 0.00 41 R 8.07 4.06 0.00 2.15 2.14 0.00 3.17 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.77 0.00 42 I 7.94 4.02 2.11 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 2.06 0.98 0.00 0.00 43 F 8.66 4.24 0.00 2.99 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 44 Y 7.92 4.00 0.00 3.28 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 D 8.91 4.38 0.00 2.92 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 A 7.72 3.98 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 47 C 7.78 3.77 0.00 3.08 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 48 K 7.94 4.17 0.00 1.92 1.84 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.62 1.62 7.81 49 I 7.42 3.83 1.97 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 1.76 0.84 0.85 0.00 0.00 50 I 7.81 3.65 2.04 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.76 0.89 0.00 0.00 51 Q 7.40 4.81 0.00 2.06 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.95 0.00 0.00 0.00 0.00 0.00 2.63 2.45 0.00 52 E 7.78 4.11 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.49 0.00 53 K 8.08 4.07 0.00 1.83 1.81 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.68 1.53 7.81 54 T 7.91 4.60 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 1.25 0.00 0.00 55 G 8.50 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 56 Q 7.47 4.67 0.00 2.02 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.92 0.00 0.00 0.00 0.00 0.00 2.26 2.25 0.00 57 E 8.64 4.08 0.00 2.21 2.16 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 2.39 2.41 0.00 58 P 0.00 4.22 0.00 2.04 2.43 0.00 3.75 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.08 0.00 59 L 7.88 3.79 0.00 1.75 1.69 0.92 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 60 K 7.90 4.10 0.00 1.93 1.81 0.00 1.69 0.00 0.00 1.77 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.52 1.57 7.81 61 V 7.62 3.61 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 1.00 0.00 0.00 62 F 8.24 4.07 0.00 3.21 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 63 K 8.12 3.80 0.00 2.08 1.84 0.00 1.81 0.00 0.00 1.83 0.00 0.00 3.10 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.54 7.81 64 Q 8.00 3.82 0.00 2.13 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.97 0.00 0.00 0.00 0.00 0.00 2.40 2.51 0.00 65 A 8.23 4.08 1.32 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 0.00 0.00 66 V 8.06 3.36 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 -0.15 0.00 0.00 67 E 8.64 3.95 0.00 2.04 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 2.31 2.39 0.00 68 N 7.85 4.65 0.00 2.90 2.83 0.00 0.00 6.79 7.87 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 69 V 7.70 4.29 2.18 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 1.12 0.00 0.00 1.04 0.00 0.00 70 K 7.91 4.55 0.00 1.91 1.85 0.00 2.00 0.00 0.00 1.77 0.00 0.00 3.32 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.53 1.43 7.81 71 P 0.00 4.29 0.00 2.39 2.43 0.00 4.06 0.00 0.00 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.37 0.00 72 R 9.00 4.10 0.00 1.89 1.98 0.00 3.13 0.00 0.00 3.35 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.67 0.00 73 M 7.74 5.23 0.00 1.91 1.91 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.62 0.00 74 E 8.98 4.90 0.00 2.10 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 2.24 2.33 0.00 75 V 8.38 4.91 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 0.74 0.00 0.00 0.95 0.00 0.00 76 R 9.40 4.79 0.00 1.71 1.80 0.00 3.23 0.00 0.00 3.38 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 77 S 8.38 5.13 0.00 3.70 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 78 R 8.13 4.47 0.00 1.40 1.44 0.00 2.41 0.00 0.00 2.99 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.07 0.00 79 R 8.23 4.70 0.00 1.60 1.69 0.00 3.28 0.00 0.00 3.21 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.50 0.00 80 V 7.81 4.09 1.82 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 0.22 0.00 0.00 0.11 0.00 0.00 81 G 7.83 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 G 7.72 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 83 A 7.69 4.61 1.11 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 84 N 8.60 5.26 0.00 2.57 2.73 0.00 0.00 6.91 7.46 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 85 Y 8.42 4.96 0.00 3.09 3.11 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 86 Q 8.14 4.63 0.00 1.70 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.88 0.00 0.00 0.00 0.00 0.00 2.18 2.17 0.00 87 V 8.51 4.18 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 1.14 0.00 0.00 1.19 0.00 0.00 88 P 0.00 5.48 0.00 2.14 2.08 0.00 3.95 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.20 0.00 89 M 8.51 4.32 0.00 2.22 2.28 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.49 0.00 90 E 9.03 4.61 0.00 1.88 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 2.34 2.26 0.00 91 V 8.11 4.39 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 0.85 0.00 0.00 1.05 0.00 0.00 92 S 8.36 4.64 0.00 3.94 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 93 P 0.00 4.24 0.00 2.30 2.32 0.00 3.75 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.08 0.00 94 R 7.95 3.91 0.00 1.86 2.01 0.00 3.12 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 95 R 7.78 3.78 0.00 1.85 2.08 0.00 3.19 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 96 Q 8.56 3.99 0.00 2.22 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.58 0.00 0.00 0.00 0.00 0.00 2.54 2.61 0.00 97 Q 8.14 3.95 0.00 2.20 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 98 S 8.09 4.01 0.00 3.93 3.78 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 99 L 8.13 3.18 0.00 1.13 0.13 0.78 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 100 A 8.03 4.34 1.45 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 0.00 0.00 101 L 8.21 4.12 0.00 1.76 1.92 1.03 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 102 R 8.06 3.73 0.00 1.79 1.79 0.00 2.80 0.00 0.00 3.02 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.00 103 W 8.69 4.58 0.00 3.70 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 L 8.58 4.09 0.00 2.23 2.18 0.98 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 105 V 7.52 3.62 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 0.74 0.00 0.00 0.59 0.00 0.00 106 Q 8.11 4.18 0.00 2.44 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.43 2.72 0.00 107 A 8.94 4.21 1.49 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 0.00 0.00 108 A 8.14 4.08 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 0.00 0.00 109 N 7.97 4.47 0.00 2.90 2.89 0.00 0.00 7.03 7.07 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 0.00 110 Q 7.84 4.24 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.90 0.00 0.00 0.00 0.00 0.00 2.39 2.63 0.00 111 R 6.82 4.14 0.00 1.96 1.88 0.00 3.23 0.00 0.00 3.30 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 112 P 0.00 4.51 0.00 2.17 2.16 0.00 3.77 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 1.97 1.97 0.00 113 E 7.91 4.07 0.00 2.01 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 114 R 8.05 4.11 0.00 1.82 1.92 0.00 3.21 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 115 R 7.70 4.17 0.00 1.85 1.88 0.00 3.33 0.00 0.00 3.36 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.66 0.00 116 A 8.89 4.06 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 0.00 117 A 8.05 3.99 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 0.00 118 V 7.80 3.61 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 0.86 0.00 0.00 1.08 0.00 0.00 119 R 7.94 3.97 0.00 2.09 2.27 0.00 3.35 0.00 0.00 3.47 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.88 0.00 120 I 8.15 3.84 2.14 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.01 1.22 0.00 0.00 121 A 8.41 3.97 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 0.00 122 H 8.99 4.01 0.00 3.32 3.42 0.00 5.82 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 E 8.37 3.99 0.00 2.34 2.18 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 2.55 2.47 0.00 124 L 8.18 4.00 0.00 1.95 1.73 1.00 1.14 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 0.00 125 M 7.97 4.04 0.00 2.14 2.27 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.62 0.00 126 D 8.22 4.34 0.00 2.75 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 0.00 127 A 8.35 3.90 1.40 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 0.00 0.00 128 A 7.95 3.99 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 0.00 129 E 8.36 4.11 0.00 2.02 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 130 G 6.08 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 0.00 131 K 7.88 4.45 0.00 1.62 1.66 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.31 1.32 7.81 132 G 7.82 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 0.00 133 G 8.74 3.79 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 0.00 0.00 0.00 134 A 8.06 4.02 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 0.00 135 V 7.68 3.48 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 1.07 0.00 0.00 0.93 0.00 0.00 136 K 8.18 3.97 0.00 1.89 1.75 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.60 7.81 137 K 7.59 3.72 0.00 1.13 1.23 0.00 1.57 0.00 0.00 1.29 0.00 0.00 2.66 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.26 1.43 7.81 138 K 7.24 3.48 0.00 1.54 1.87 0.00 1.70 0.00 0.00 1.89 0.00 0.00 3.08 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.45 1.52 7.81 139 E 7.96 3.86 0.00 2.12 1.95 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 2.29 2.50 0.00 140 D 7.81 4.19 0.00 2.69 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 0.00 141 V 7.66 3.72 2.18 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 1.07 0.00 0.00 1.01 0.00 0.00 142 E 8.47 3.99 0.00 2.02 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 2.35 2.57 0.00 143 R 7.78 3.90 0.00 2.02 1.97 0.00 3.11 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.91 0.00 144 M 7.78 3.97 0.00 1.96 2.23 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.93 0.00 145 A 7.58 3.95 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 0.00 146 E 8.01 4.06 0.00 1.95 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 2.32 2.32 0.00 147 A 8.16 4.07 1.33 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 0.00 0.00 0.00 148 N 8.56 4.53 0.00 2.84 2.73 0.00 0.00 6.81 6.99 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 0.00 149 R 7.91 3.93 0.00 1.92 1.99 0.00 3.48 0.00 0.00 3.17 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 150 A 8.02 4.04 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 Y 8.42 3.68 0.00 3.07 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 0.00 152 A 7.67 4.34 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 0.00 153 H 7.65 4.28 0.00 3.03 3.27 0.00 5.53 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 Y 7.14 4.90 0.00 3.17 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 R 8.52 4.13 0.00 1.93 2.11 0.00 3.32 0.00 0.00 3.32 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.71 0.00 156 W 7.81 4.32 0.00 3.68 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