NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2243 8.3144 120.1353 56.0750 33.5225 174.3254 2 E 4.1058 8.4381 121.2108 53.3273 30.1687 175.1605 3 S 4.3484 8.9188 123.3140 58.3314 66.0118 174.6087 4 A 4.0436 8.5080 123.8950 55.2031 18.1414 179.9905 5 A 3.9845 7.9835 118.7407 55.3429 18.5975 179.6206 6 A 4.0462 8.0032 118.9094 54.8456 18.3635 179.8922 7 K 4.0192 8.1997 118.5085 59.5982 32.3420 178.6958 8 F 4.0100 8.3030 120.9612 61.4240 39.2639 176.8327 9 E 4.0261 8.3853 118.0726 59.4529 29.0643 179.4507 10 R 3.7951 7.6936 117.2901 59.6796 30.3301 178.4312 11 Q 3.9897 8.1612 116.4535 58.1296 28.7497 176.5751 12 H 4.6877 7.7547 113.3481 54.8094 30.9308 173.0481 13 M 4.4928 7.6810 119.7170 53.9041 33.4665 176.6732 14 D 4.7238 8.1701 122.5603 52.8241 41.8378 174.6727 15 S 4.1406 8.1314 116.5890 57.7196 63.7439 174.8766 16 G 4.0621 7.9090 114.4399 46.0126 0.0000 171.8798 17 N 4.6284 8.5846 115.8998 54.9079 39.5285 176.5927 18 S 4.7671 7.5443 112.5855 56.0348 62.7969 171.8430 19 P 4.3744 0.0000 0.0000 65.6753 31.9159 179.1168 20 S 4.5234 7.9416 112.1108 58.4723 62.8707 173.9411 21 S 4.3172 7.7073 116.8755 57.8109 62.8541 175.4429 22 S 4.2203 8.7474 121.6947 61.3353 62.8742 176.0918 23 S 4.3581 8.0519 113.5324 59.8935 63.1087 174.2217 24 N 4.6723 8.2353 118.6365 53.9775 39.2457 176.1677 25 Y 4.0642 8.4427 120.9307 61.2758 38.6318 177.7414 26 C 4.1712 8.2330 116.6971 59.8985 36.2928 175.7237 27 N 4.4314 8.2008 117.5865 56.5037 38.1092 177.3222 28 L 3.9357 7.6193 119.5512 58.0862 41.6844 179.5159 29 M 3.5321 7.7226 118.8104 58.4703 31.7320 178.7999 30 M 4.0382 8.6067 119.6607 57.9170 31.9554 178.3732 31 C 4.0638 7.5949 119.2440 62.2777 31.7316 174.7982 32 C 3.9196 8.4911 120.4620 62.7722 31.0914 174.8187 33 R 4.2760 8.1852 115.2758 55.8814 29.1580 176.4018 34 K 3.9006 7.8200 115.6227 58.1417 30.0957 175.7695 35 M 4.6311 8.1560 115.6015 55.4096 32.0593 177.0383 36 T 5.2945 7.7255 106.5406 60.3411 69.5602 173.0155 37 Q 4.6018 8.4832 121.0552 56.3956 30.2572 174.1542 38 G 4.1658 11.0623 112.9715 45.3352 0.0000 172.8885 39 K 3.4733 6.8111 115.6711 55.7034 34.9765 174.6833 40 C 4.8445 8.4034 117.2381 55.0947 40.7127 173.8606 41 K 4.1783 8.4601 127.6249 55.5494 32.2182 174.4090 42 P 4.5496 0.0000 0.0000 65.8459 31.9304 176.3787 43 V 5.1278 7.5119 117.0880 61.2753 35.0245 173.7762 44 N 4.5602 8.7416 122.4478 52.9589 42.8278 172.9655 45 T 4.8317 7.8638 122.0730 61.7268 70.9073 173.5900 46 F 4.6570 8.9761 124.5790 55.6379 41.8249 174.6227 47 V 4.5204 8.3714 122.3594 61.4713 33.1162 174.7637 48 H 4.9058 9.1779 124.0585 55.7688 29.3455 174.8906 49 E 4.4350 7.9926 118.4784 54.8007 31.0719 176.4331 50 S 4.2429 8.3228 113.9174 58.7271 64.3247 174.7926 51 L 4.0961 8.4860 127.3772 57.5929 42.0786 179.1335 52 A 4.0352 7.9100 120.7472 55.2268 18.1901 179.1248 53 D 4.3409 7.9563 116.2872 57.3004 41.3462 178.6914 54 V 3.7748 7.6991 118.4977 65.9313 31.6364 178.3520 55 K 3.9978 8.2742 118.0004 59.2503 31.7742 179.1696 56 A 4.0107 7.9400 120.6774 54.8175 18.3451 179.6068 57 V 3.5492 7.6249 116.8427 66.1301 31.2439 176.8121 58 C 3.9727 7.6441 113.3963 57.5399 39.8258 173.7639 59 S 4.6202 7.7980 114.6395 57.8646 63.9739 174.5417 60 Q 4.7746 7.5042 120.5114 55.5343 29.6458 175.3483 61 K 4.0392 8.6706 123.7496 57.8168 33.1796 176.9691 62 K 4.2327 8.6359 128.9628 56.4312 32.7705 175.9846 63 V 4.4613 8.1381 118.1797 60.5062 36.7974 173.4595 64 T 4.2056 8.2451 119.4860 63.1478 69.1103 175.9404 65 C 4.7089 8.6920 123.6412 56.4582 40.9783 175.0925 66 K 3.7925 8.8234 120.9843 59.3086 31.5861 178.2088 67 N 4.6040 8.0623 113.7787 52.7258 37.5765 175.4741 68 G 4.0032 7.7939 108.5642 45.7319 0.0000 174.6387 69 Q 4.1251 8.5422 119.2113 56.5169 29.1477 176.7580 70 T 4.6394 8.3382 109.4858 61.6138 69.3766 174.1195 71 N 4.9369 7.8403 119.2498 53.7379 38.2388 174.9471 72 C 5.4512 7.5311 115.7875 56.9336 44.2283 173.0635 73 Y 5.2298 8.7784 117.9110 56.5317 42.3269 173.8477 74 Q 5.2273 9.1011 124.0560 53.8511 31.1717 175.6658 75 S 4.5111 8.9151 121.7290 58.4740 63.6175 174.8411 76 K 4.1133 9.4372 123.4468 58.9220 31.9943 177.3338 77 S 5.0332 7.6811 112.5245 56.4395 65.8412 174.2870 78 T 4.2814 8.2297 111.2390 62.0774 69.9107 173.7354 79 M 5.0174 9.1233 121.4852 53.5166 37.0306 175.2053 80 R 4.4747 9.5620 121.7523 56.0839 31.0368 175.7177 81 I 5.0535 8.6457 117.6949 59.2143 41.6684 174.4669 82 T 4.9734 9.0130 119.9372 61.9391 71.4331 172.5282 83 D 5.0720 9.5655 127.5479 53.0101 43.4774 174.2147 84 C 5.6925 8.9796 123.0532 55.3429 43.7665 173.2308 85 R 5.3744 8.7403 122.0530 54.1234 34.0439 174.6956 86 E 4.0358 8.8433 123.4272 57.0426 30.3363 177.3199 87 T 4.3353 8.3869 113.4538 60.2813 70.3088 176.0069 88 G 3.7536 8.5182 110.1927 47.4893 0.0000 174.3268 89 S 4.5359 7.7040 114.2734 58.2355 63.8960 174.0027 90 S 4.2464 7.7450 116.7357 57.4740 62.7094 173.3049 91 K 4.4760 8.3240 127.9402 54.5991 34.7471 174.4839 92 Y 4.3839 8.7942 127.5528 57.8008 39.0671 173.6449 93 P 3.2472 0.0000 0.0000 62.6181 31.9087 176.7344 94 N 4.7043 7.7592 117.4196 52.6841 37.5310 175.2650 95 C 4.2988 7.8778 115.1617 57.2971 42.0833 173.8439 96 A 5.1040 8.9943 125.0820 50.4877 22.1305 174.5206 97 Y 5.2408 9.2831 118.0824 56.1445 42.2917 174.6534 98 K 4.6499 9.0807 123.2234 55.2866 34.5676 175.0131 99 T 4.8866 8.5443 123.5098 62.6581 70.2272 174.2652 100 T 4.6595 8.9057 122.0649 61.9322 72.6634 172.6956 101 Q 5.0125 8.7937 125.2236 54.4758 30.6019 175.2589 102 V 4.6033 8.5959 116.2721 59.9523 37.2339 173.8842 103 E 5.0088 8.7141 120.3747 54.8949 31.6757 175.8334 104 K 4.7489 8.6519 122.5316 54.8724 37.6143 175.3482 105 H 4.8870 9.5314 119.2310 55.6497 30.0852 174.9086 106 I 4.7381 8.8359 115.7815 59.3108 40.6247 174.3945 107 I 4.9215 8.3923 124.5799 59.7380 40.1582 175.0822 108 V 4.8085 8.6470 119.0112 59.4330 36.4195 174.2344 109 A 5.1722 9.1534 125.0172 51.1549 20.5316 175.6739 110 C 5.3929 8.7774 119.8418 55.5396 39.6955 173.4356 111 G 3.9669 9.0986 108.3055 46.3598 0.0000 172.9742 112 G 4.1875 9.6304 107.0148 44.7810 0.0000 172.8883 113 K 4.3391 8.0161 118.8018 53.7323 33.8006 173.9504 114 P 4.3385 0.0000 0.0000 62.6045 31.7625 175.8054 115 S 4.6348 8.3799 114.5507 58.3968 62.6976 173.4841 116 V 4.6274 8.4491 119.9339 58.5066 36.1135 173.4602 117 P 4.8377 0.0000 0.0000 63.0640 31.5662 176.7088 118 V 4.4997 8.9046 116.6210 60.5365 33.7555 174.9335 119 H 4.4616 7.8007 117.1074 55.4997 33.0681 172.3560 120 F 4.5993 8.8728 128.4007 57.3805 39.5464 174.3804 121 D 4.6058 8.4445 126.8095 55.9018 42.2427 175.6548 122 A 4.5634 6.4378 117.8798 51.7245 22.2763 174.9151 123 S 5.1630 8.7924 112.8561 56.7832 66.5255 174.6870 124 V 4.1430 8.8420 120.7623 62.0513 31.5122 175.1927 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 K 8.31 4.22 0.00 1.75 1.85 0.00 1.60 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.50 7.81 2 E 8.44 4.11 0.00 2.01 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 2.27 2.37 0.00 3 S 8.92 4.35 0.00 4.10 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 4 A 8.51 4.04 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 5 A 7.98 3.98 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 6 A 8.00 4.05 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 7 K 8.20 4.02 0.00 2.00 2.03 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.45 7.81 8 F 8.30 4.01 0.00 3.19 3.26 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 9 E 8.39 4.03 0.00 2.28 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 0.00 2.47 2.65 0.00 10 R 7.69 3.80 0.00 1.79 2.15 0.00 3.23 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 11 Q 8.16 3.99 0.00 1.62 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.50 0.00 0.00 0.00 0.00 0.00 2.28 2.49 0.00 12 H 7.75 4.69 0.00 2.12 2.88 0.00 5.64 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 M 7.68 4.49 0.00 2.04 2.14 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 2.72 2.66 0.00 14 D 8.17 4.72 0.00 2.53 2.50 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 0.00 0.00 0.00 0.00 15 S 8.13 4.14 0.00 3.91 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.91 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.58 4.63 0.00 2.72 2.88 0.00 0.00 6.67 7.57 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 18 S 7.54 4.77 0.00 3.82 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 19 P 0.00 4.37 0.00 2.28 2.32 0.00 3.76 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.98 0.00 20 S 7.94 4.52 0.00 3.89 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 21 S 7.71 4.32 0.00 3.96 3.76 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 0.00 0.00 0.00 0.00 22 S 8.75 4.22 0.00 4.03 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 S 8.05 4.36 0.00 4.04 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 N 8.24 4.67 0.00 3.20 2.89 0.00 0.00 6.47 7.04 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 25 Y 8.44 4.06 0.00 3.11 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 26 C 8.23 4.17 0.00 3.10 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 27 N 8.20 4.43 0.00 2.91 2.93 0.00 0.00 7.14 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 28 L 7.62 3.94 0.00 1.52 1.58 0.87 0.79 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 29 M 7.72 3.53 0.00 0.95 1.23 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.77 0.00 30 M 8.61 4.04 0.00 1.65 1.87 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 2.45 0.00 31 C 7.59 4.06 0.00 3.02 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 32 C 8.49 3.92 0.00 2.82 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 33 R 8.19 4.28 0.00 2.01 2.00 0.00 3.59 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.95 0.00 34 K 7.82 3.90 0.00 1.92 1.90 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.38 1.39 7.81 35 M 8.16 4.63 0.00 2.06 2.01 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 2.70 2.42 0.00 36 T 7.73 5.29 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 37 Q 8.48 4.60 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.68 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 38 G 11.06 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 39 K 6.81 3.47 0.00 1.62 1.59 0.00 1.41 0.00 0.00 1.73 0.00 0.00 2.90 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.32 1.30 7.81 40 C 8.40 4.84 0.00 3.10 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.46 4.18 0.00 1.70 1.80 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.24 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.63 1.39 7.81 42 P 0.00 4.55 0.00 2.18 2.33 0.00 3.75 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.00 0.00 43 V 7.51 5.13 2.11 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 0.78 0.00 0.00 0.98 0.00 0.00 44 N 8.74 4.56 0.00 2.70 2.28 0.00 0.00 7.04 7.13 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 45 T 7.86 4.83 2.76 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 0.00 0.00 0.00 0.85 0.00 0.00 46 F 8.98 4.66 0.00 2.97 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 47 V 8.37 4.52 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 0.86 0.00 0.00 1.00 0.00 0.00 48 H 9.18 4.91 0.00 3.14 3.28 0.00 5.70 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 7.99 4.44 0.00 1.98 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 2.30 2.26 0.00 50 S 8.32 4.24 0.00 3.89 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 51 L 8.49 4.10 0.00 1.81 1.66 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.91 4.04 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 53 D 7.96 4.34 0.00 2.86 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 54 V 7.70 3.77 2.11 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 1.08 0.00 0.00 1.00 0.00 0.00 55 K 8.27 4.00 0.00 1.94 1.82 0.00 1.81 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.51 7.81 56 A 7.94 4.01 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 57 V 7.62 3.55 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 1.03 0.00 0.00 58 C 7.64 3.97 0.00 2.90 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 59 S 7.80 4.62 0.00 3.85 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 60 Q 7.50 4.77 0.00 2.13 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.84 0.00 0.00 0.00 0.00 0.00 2.29 2.42 0.00 61 K 8.67 4.04 0.00 1.86 1.87 0.00 1.69 0.00 0.00 1.72 0.00 0.00 2.76 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.48 1.43 7.81 62 K 8.64 4.23 0.00 1.72 1.53 0.00 1.73 0.00 0.00 1.47 0.00 0.00 2.81 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.62 1.22 7.81 63 V 8.14 4.46 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 0.59 0.00 0.00 0.86 0.00 0.00 64 T 8.25 4.21 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 1.23 0.00 0.00 65 C 8.69 4.71 0.00 3.14 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 66 K 8.82 3.79 0.00 1.77 1.88 0.00 1.71 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.51 7.81 67 N 8.06 4.60 0.00 2.81 2.90 0.00 0.00 6.31 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 68 G 7.79 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 Q 8.54 4.13 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.73 0.00 0.00 0.00 0.00 0.00 2.35 2.46 0.00 70 T 8.34 4.64 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 1.23 0.00 0.00 71 N 7.84 4.94 0.00 2.97 3.08 0.00 0.00 6.06 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 C 7.53 5.45 0.00 2.94 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 73 Y 8.78 5.23 0.00 2.89 2.85 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 74 Q 9.10 5.23 0.00 1.95 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.83 0.00 0.00 0.00 0.00 0.00 2.25 2.24 0.00 75 S 8.92 4.51 0.00 4.08 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 76 K 9.44 4.11 0.00 1.75 1.94 0.00 1.67 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.43 7.81 77 S 7.68 5.03 0.00 3.74 3.76 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 0.00 0.00 0.00 0.00 78 T 8.23 4.28 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 0.97 0.00 0.00 79 M 9.12 5.02 0.00 1.93 1.98 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 2.53 2.51 0.00 80 R 9.56 4.47 0.00 1.84 1.91 0.00 3.05 0.00 0.00 3.21 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 81 I 8.65 5.05 1.97 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 1.41 0.79 1.05 0.00 0.00 82 T 9.01 4.97 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 1.31 0.00 0.00 83 D 9.57 5.07 0.00 2.77 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.98 5.69 0.00 2.96 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 85 R 8.74 5.37 0.00 1.74 1.82 0.00 3.37 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 86 E 8.84 4.04 0.00 1.77 1.75 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 1.79 1.95 0.00 87 T 8.39 4.34 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 1.21 0.00 0.00 88 G 8.52 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 89 S 7.70 4.54 0.00 3.83 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 90 S 7.74 4.25 0.00 3.81 3.71 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 91 K 8.32 4.48 0.00 1.76 1.57 0.00 1.80 0.00 0.00 1.75 0.00 0.00 2.83 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.43 1.44 7.81 92 Y 8.79 4.38 0.00 2.95 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 93 P 0.00 3.25 0.00 1.72 0.94 0.00 3.61 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 94 N 7.76 4.70 0.00 2.81 2.79 0.00 0.00 6.89 7.27 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 95 C 7.88 4.30 0.00 3.15 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 96 A 8.99 5.10 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 0.00 0.00 0.00 0.00 0.00 97 Y 9.28 5.24 0.00 2.94 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 98 K 9.08 4.65 0.00 1.83 1.71 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.57 7.81 99 T 8.54 4.89 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 1.29 0.00 0.00 100 T 8.91 4.66 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 1.23 0.00 0.00 101 Q 8.79 5.01 0.00 1.88 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.80 0.00 0.00 0.00 0.00 0.00 2.15 2.28 0.00 102 V 8.60 4.60 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 0.71 0.00 0.00 0.96 0.00 0.00 103 E 8.71 5.01 0.00 1.80 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.29 0.00 104 K 8.65 4.75 0.00 1.73 1.75 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.83 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.44 7.81 105 H 9.53 4.89 0.00 3.15 3.21 0.00 5.58 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.84 4.74 1.80 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 1.27 1.27 1.13 0.00 0.00 107 I 8.39 4.92 1.80 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 1.16 0.67 0.82 0.00 0.00 108 V 8.65 4.81 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.94 0.00 0.00 109 A 9.15 5.17 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 C 8.78 5.39 0.00 2.93 2.95 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 0.00 111 G 9.10 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 0.00 0.00 0.00 112 G 9.63 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 0.00 113 K 8.02 4.34 0.00 1.66 1.67 0.00 1.79 0.00 0.00 1.76 0.00 0.00 2.84 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.31 1.41 7.81 114 P 0.00 4.34 0.00 2.20 2.03 0.00 3.81 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 115 S 8.38 4.63 0.00 3.88 3.76 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 0.00 0.00 0.00 0.00 116 V 8.45 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 0.75 0.00 0.00 0.99 0.00 0.00 117 P 0.00 4.84 0.00 1.96 2.02 0.00 3.62 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 118 V 8.90 4.50 2.11 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 0.73 0.00 0.00 1.01 0.00 0.00 119 H 7.80 4.46 0.00 3.23 3.11 0.00 5.85 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 F 8.87 4.60 0.00 3.04 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 0.00 121 D 8.44 4.61 0.00 2.66 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 0.00 122 A 6.44 4.56 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 0.00 123 S 8.79 5.16 0.00 4.05 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 V 8.84 4.14 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 0.75 0.00 0.00 0.95 0.00 0.00