NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 H 4.6348 8.4449 117.7971 55.3540 30.8628 173.6533 2 C 4.8099 7.6530 115.0025 53.6148 38.9416 171.0835 3 P 4.4932 0.0000 0.0000 62.5619 32.4730 175.9594 4 S 4.4269 8.3907 115.5418 60.2973 63.1212 175.2026 5 D 4.6798 8.8355 121.7106 54.2854 38.8366 174.0974 6 W 5.0428 8.0209 118.4761 55.6918 30.9440 175.2984 7 Y 4.8842 9.6882 121.0107 56.7831 40.1524 174.0128 8 Y 5.3495 8.8703 124.0995 56.2707 41.0364 173.7801 9 Y 4.3035 8.2842 127.2274 56.5519 43.3619 174.7295 10 D 3.6461 7.7268 125.6371 55.4319 41.1661 173.7256 11 Q 4.6705 5.7400 110.3197 54.6492 30.6255 174.2175 12 H 5.0190 8.4664 116.6689 54.1619 33.5928 171.4272 13 C 5.8899 8.8085 116.7553 55.7269 40.8416 173.2235 14 Y 6.0215 9.4644 119.9623 55.7828 42.2205 174.5236 15 R 4.4077 8.2665 117.1544 55.5457 33.3608 172.8439 16 I 4.5129 8.0193 126.5609 59.5359 39.6155 174.2791 17 F 4.2817 8.5477 128.3060 55.0466 40.9552 176.0341 18 N 4.8717 8.4097 122.8906 53.7791 38.9099 174.9376 19 E 4.5516 7.5438 117.3363 54.2581 31.5826 176.0036 20 E 4.0955 8.5711 124.0586 56.6916 30.0974 176.1914 21 M 4.9478 8.8590 123.3706 53.7366 37.3045 174.2734 22 N 5.6520 8.5892 117.9983 51.5347 39.3233 175.6829 23 W 4.0890 8.5111 129.2584 60.9950 30.5522 177.9554 24 E 4.1459 8.5061 117.4412 59.8599 29.0041 179.1349 25 D 4.5119 8.1375 118.0072 57.0997 40.8787 178.5899 26 A 2.8780 7.9925 121.8026 54.6976 18.2686 179.2457 27 E 3.5628 7.8011 118.1441 58.9362 29.3660 178.8110 28 W 4.3086 8.1175 127.4824 60.4295 31.1173 177.1657 29 F 3.8768 8.4552 120.9902 61.5964 38.7615 176.1968 30 C 4.2556 8.6563 116.4998 60.5309 38.3650 176.4517 31 T 3.8370 7.8346 112.1253 64.0553 67.8754 176.3269 32 K 4.0568 7.5196 120.3425 58.7552 32.0777 178.3558 33 Q 3.7897 7.4709 117.8223 58.5997 29.0324 175.8264 34 A 4.0071 6.7501 118.4106 50.7646 22.3496 175.3554 35 K 4.0464 8.2890 119.6375 57.7753 32.3566 178.1323 36 G 3.9064 8.8567 110.1869 45.7569 0.0000 173.5435 37 A 4.5643 7.4915 122.8244 52.6430 19.0890 176.5827 38 H 4.8046 8.9407 117.1339 54.3793 34.2106 172.9046 39 L 4.5907 9.1652 120.4324 54.7107 42.0706 178.2421 40 V 4.0137 8.9360 122.8471 62.4373 32.4258 175.3076 41 S 4.8669 8.6783 115.9956 56.5357 65.5046 173.3277 42 I 4.6375 8.3414 124.4028 60.2133 37.7953 175.3427 43 K 4.7109 9.4910 124.8732 55.5111 32.8168 176.7306 44 S 4.6590 7.6897 111.8602 56.5249 66.1711 176.5887 45 A 4.1256 8.3573 125.2227 55.3911 18.1088 180.3706 46 K 3.9545 8.0548 116.4597 59.7418 32.1959 179.0479 47 E 3.8664 8.3832 119.1982 58.9662 29.4694 178.6276 48 A 4.1038 8.6037 121.3651 55.2193 18.4187 179.0615 49 D 4.2513 8.5673 116.9148 57.3726 41.2858 178.1843 50 F 3.8621 7.9769 121.2690 61.2052 39.2464 177.4051 51 V 3.1401 7.9733 118.8923 64.5136 31.0537 178.1094 52 A 3.9052 8.1403 121.5204 54.5936 18.4222 179.2008 53 W 3.9268 8.2590 127.2291 60.8364 30.4813 177.8096 54 M 2.9148 7.8070 118.2726 58.0672 31.4771 178.1915 55 V 3.1125 7.2543 118.3598 66.2333 31.3530 177.8433 56 T 3.7042 7.0364 113.7361 66.9237 68.4117 176.0373 57 Q 3.9221 7.0021 116.8493 57.1985 28.8680 176.2978 58 N 4.7906 7.0544 114.1929 52.1515 40.7058 174.5834 59 I 3.8907 7.4438 118.9100 60.1583 38.8045 175.2806 60 E 4.0844 8.6552 125.7738 55.8826 29.9362 178.0396 61 E 3.9431 8.6998 121.3067 59.3190 29.8732 178.6370 62 S 4.1046 7.7569 113.3038 60.9799 63.2447 174.9476 63 F 4.7741 7.0248 118.8036 57.3333 39.3778 175.0484 64 S 4.8142 8.6607 114.7599 57.7419 64.6781 172.7443 65 H 5.8685 8.4493 115.5127 54.2303 31.8491 173.6318 66 V 4.8036 8.9512 120.8960 60.1027 34.9432 175.1242 67 S 5.0799 9.1916 120.7584 58.5813 63.9662 173.1646 68 I 4.8429 8.3691 115.0808 58.7597 41.2409 176.3142 69 G 4.0912 9.1565 110.2741 46.6268 0.0000 173.7382 70 L 4.2583 7.4384 120.0414 54.0673 42.1837 176.4570 71 R 4.4496 7.9812 122.3716 54.1301 33.1484 174.4048 72 V 3.6868 8.1180 124.4528 63.0117 31.9239 176.2432 73 Q 4.1564 8.5212 125.8429 57.7387 29.3438 176.2861 74 N 4.2719 8.0438 114.0248 53.9262 38.9765 174.9033 75 K 4.1513 8.4428 120.3548 58.3628 32.8783 177.4754 76 E 4.1996 7.8449 116.9713 55.7220 30.0997 176.9586 77 K 4.0511 8.5712 120.1448 59.1399 32.1783 177.1606 78 Q 4.5455 7.4705 113.2940 54.9652 31.6471 174.0275 79 C 4.3613 8.4031 113.7470 59.5305 28.3832 173.7507 80 S 4.3174 9.1875 117.7205 57.7090 61.9948 173.9956 81 T 4.2263 8.3455 117.8493 62.2591 69.5665 174.4843 82 K 5.0091 7.4865 120.2719 54.2834 35.9379 175.8446 83 W 4.5918 8.9228 122.5072 55.5468 30.0947 177.8665 84 S 4.2281 8.8623 114.1601 60.9807 62.3756 174.7305 85 D 4.6285 8.2879 119.1035 53.0945 39.4565 177.0206 86 G 4.0629 8.3709 110.0405 45.6592 0.0000 174.6098 87 S 4.4368 8.3508 114.6062 57.8661 63.7779 173.9042 88 S 4.8599 8.4099 115.9933 58.1591 63.8848 174.9655 89 V 4.2970 8.2315 123.7706 61.8434 29.4480 175.5568 90 S 4.6256 8.3573 116.6788 57.8217 64.3548 174.3676 91 Y 4.6572 8.0478 121.9888 55.6675 40.9264 173.9580 92 D 4.5979 8.0760 125.7913 53.3108 43.5450 174.2505 93 N 4.8609 8.5637 124.7449 52.6368 39.3067 174.8497 94 L 4.0543 7.8477 120.4033 54.9408 42.9147 176.6930 95 L 4.2994 8.3477 125.2848 54.4023 42.6768 177.5262 96 D 4.3936 9.0121 122.8612 57.5966 40.9147 178.8114 97 L 3.8296 8.0750 118.8923 57.6462 41.9794 176.8986 98 Y 4.3528 8.4209 113.9944 57.5485 38.1450 175.5537 99 I 4.1777 7.8946 122.9246 60.5484 36.6842 175.8467 100 T 4.4361 8.1574 117.1848 59.8334 68.0067 173.8963 101 K 4.3268 8.0259 126.1792 57.2661 34.0265 175.8400 102 C 5.3116 8.2710 118.9750 54.9348 42.1273 172.4338 103 S 5.4391 8.2662 112.6181 57.5938 66.8318 172.4944 104 L 4.6486 8.7532 119.6652 55.4563 44.1555 173.4050 105 L 5.5922 9.4751 118.7806 52.8519 45.3850 176.2035 106 K 4.9328 8.3214 119.6771 54.7015 35.7748 177.1318 107 K 2.4800 8.2167 123.2655 58.9838 32.2953 178.8510 108 E 3.9208 7.9047 117.5042 58.6888 29.0950 177.5664 109 T 4.4380 7.4896 107.7547 61.1119 69.1293 174.8753 110 G 3.8233 8.1501 107.9002 46.6588 0.0000 174.1951 111 F 3.8884 7.5200 115.2632 58.6389 36.0668 176.3947 112 R 4.3972 6.9683 117.1211 57.4283 31.7504 177.7343 113 K 3.9182 7.8347 119.9625 56.6796 33.2247 176.2705 114 W 5.4211 7.9748 120.1398 55.7497 30.7865 175.9275 115 F 4.9459 9.2003 122.0389 55.6318 41.9368 175.3165 116 V 4.5416 8.6044 115.3262 61.7758 32.4922 175.1322 117 A 4.6201 8.9688 123.7843 50.6575 23.0896 175.7432 118 S 4.5113 8.6111 114.3456 58.9798 62.7967 175.0590 119 C 4.5985 8.9581 122.1995 57.7011 40.5046 174.6357 120 I 4.1210 7.5435 112.8117 60.4134 37.9100 176.2979 121 G 3.7285 7.7761 110.9749 45.5554 0.0000 172.8485 122 K 4.9553 8.4564 121.4602 54.5443 33.7699 175.3896 123 I 4.7027 8.5130 118.0310 58.4628 41.9657 172.5903 124 P 4.9147 0.0000 0.0000 62.8992 32.7650 175.2882 125 F 5.2863 7.9357 114.1996 56.0809 41.5829 173.2274 126 V 4.9269 8.2653 118.5046 60.3964 34.0743 174.5363 127 C 5.5156 9.3810 121.8414 56.1273 44.3949 172.3658 128 K 5.8889 9.5169 120.1957 56.3979 35.7292 174.3865 129 F 5.3124 8.4891 120.0425 55.3484 41.3859 170.9194 130 P 4.8893 0.0000 0.0000 60.6338 31.9696 173.7621 131 P 4.5611 0.0000 0.0000 62.7573 32.1244 175.8990 132 Q 4.5479 8.5229 119.8442 55.1098 30.3807 175.8294 133 C 4.3824 8.2684 117.2024 60.1301 29.2234 174.1019 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 H 8.44 4.63 0.00 2.29 2.73 0.00 5.62 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 2 C 7.65 4.81 0.00 3.06 3.05 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 3 P 0.00 4.49 0.00 2.04 2.01 0.00 3.38 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 1.75 2.04 0.00 4 S 8.39 4.43 0.00 3.96 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 5 D 8.84 4.68 0.00 2.86 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 0.00 6 W 8.02 5.04 0.00 3.52 3.43 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 0.00 7 Y 9.69 4.88 0.00 3.37 3.41 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 8 Y 8.87 5.35 0.00 3.11 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 9 Y 8.28 4.30 0.00 1.43 1.67 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 10 D 7.73 3.65 0.00 1.58 1.63 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 11 Q 5.74 4.67 0.00 1.97 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.47 0.00 0.00 0.00 0.00 0.00 2.18 1.99 0.00 12 H 8.47 5.02 0.00 2.93 2.90 0.00 5.76 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 C 8.81 5.89 0.00 1.63 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 14 Y 9.46 6.02 0.00 3.16 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 15 R 8.27 4.41 0.00 0.67 0.66 0.00 2.21 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.96 0.00 16 I 8.02 4.51 1.61 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.91 0.60 0.00 0.00 17 F 8.55 4.28 0.00 1.51 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 N 8.41 4.87 0.00 2.76 3.21 0.00 0.00 6.99 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 19 E 7.54 4.55 0.00 1.79 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 2.20 2.25 0.00 20 E 8.57 4.10 0.00 1.80 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 1.88 2.35 0.00 21 M 8.86 4.95 0.00 1.74 1.63 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.42 0.00 22 N 8.59 5.65 0.00 3.10 2.97 0.00 0.00 6.32 8.88 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 23 W 8.51 4.09 0.00 3.49 3.28 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 24 E 8.51 4.15 0.00 2.15 2.06 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 2.60 2.64 0.00 25 D 8.14 4.51 0.00 2.65 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 26 A 7.99 2.88 0.39 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 27 E 7.80 3.56 0.00 1.16 1.77 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 2.13 2.29 0.00 28 W 8.12 4.31 0.00 3.29 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 29 F 8.46 3.88 0.00 2.93 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.66 4.26 0.00 3.15 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 T 7.83 3.84 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 1.35 0.00 0.00 32 K 7.52 4.06 0.00 1.42 1.59 0.00 1.11 0.00 0.00 1.26 0.00 0.00 2.15 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.20 1.28 7.81 33 Q 7.47 3.79 0.00 2.07 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.73 0.00 0.00 0.00 0.00 0.00 2.27 2.61 0.00 34 A 6.75 4.01 0.01 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 35 K 8.29 4.05 0.00 1.73 1.74 0.00 1.83 0.00 0.00 1.69 0.00 0.00 2.77 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.35 7.81 36 G 8.86 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 37 A 7.49 4.56 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 38 H 8.94 4.80 0.00 3.11 3.18 0.00 5.63 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 L 9.17 4.59 0.00 1.44 1.62 0.86 -0.19 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 40 V 8.94 4.01 2.39 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 0.99 0.00 0.00 1.27 0.00 0.00 41 S 8.68 4.87 0.00 3.97 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 42 I 8.34 4.64 2.29 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.73 1.32 0.00 0.00 43 K 9.49 4.71 0.00 1.79 1.89 0.00 1.80 0.00 0.00 1.82 0.00 0.00 3.12 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.44 7.81 44 S 7.69 4.66 0.00 4.05 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 8.36 4.13 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 46 K 8.05 3.95 0.00 1.94 2.07 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.59 1.55 7.81 47 E 8.38 3.87 0.00 2.34 2.26 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 2.49 2.59 0.00 48 A 8.60 4.10 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 49 D 8.57 4.25 0.00 2.85 2.81 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 50 F 7.98 3.86 0.00 2.32 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 51 V 7.97 3.14 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 0.84 0.00 0.00 0.94 0.00 0.00 52 A 8.14 3.91 1.59 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 0.00 0.00 53 W 8.26 3.93 0.00 3.31 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 M 7.81 2.91 0.00 1.41 0.92 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.75 0.00 55 V 7.25 3.11 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.45 0.00 0.00 0.64 0.00 0.00 56 T 7.04 3.70 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 57 Q 7.00 3.92 0.00 1.17 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.70 0.00 0.00 0.00 0.00 0.00 1.82 2.12 0.00 58 N 7.05 4.79 0.00 2.33 2.60 0.00 0.00 6.92 7.26 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 59 I 7.44 3.89 1.70 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.77 0.88 0.00 0.00 60 E 8.66 4.08 0.00 1.67 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 2.44 2.19 0.00 61 E 8.70 3.94 0.00 2.01 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 2.18 2.19 0.00 62 S 7.76 4.10 0.00 3.72 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 63 F 7.02 4.77 0.00 3.14 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 64 S 8.66 4.81 0.00 3.82 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 H 8.45 5.87 0.00 3.04 3.16 0.00 5.72 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 66 V 8.95 4.80 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 0.99 0.00 0.00 0.92 0.00 0.00 67 S 9.19 5.08 0.00 3.91 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 68 I 8.37 4.84 1.81 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.90 0.97 0.00 0.00 69 G 9.16 4.09 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 0.00 0.00 0.00 70 L 7.44 4.26 0.00 1.53 1.52 0.47 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 71 R 7.98 4.45 0.00 0.67 1.27 0.00 2.21 0.00 0.00 2.63 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.05 0.00 72 V 8.12 3.69 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 0.81 0.00 0.00 0.85 0.00 0.00 73 Q 8.52 4.16 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.61 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 74 N 8.04 4.27 0.00 2.63 2.89 0.00 0.00 6.91 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 K 8.44 4.15 0.00 1.71 1.83 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.42 7.81 76 E 7.84 4.20 0.00 2.07 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 2.28 2.36 0.00 77 K 8.57 4.05 0.00 1.88 1.84 0.00 1.71 0.00 0.00 1.83 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.39 7.81 78 Q 7.47 4.55 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 7.11 0.00 0.00 0.00 0.00 0.00 2.10 2.53 0.00 79 C 8.40 4.36 0.00 2.93 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 80 S 9.19 4.32 0.00 3.58 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 T 8.35 4.23 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 1.17 0.00 0.00 82 K 7.49 5.01 0.00 1.72 1.83 0.00 1.76 0.00 0.00 1.95 0.00 0.00 3.02 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.35 1.42 7.81 83 W 8.92 4.59 0.00 3.58 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 84 S 8.86 4.23 0.00 4.03 4.09 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 85 D 8.29 4.63 0.00 2.79 2.81 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 86 G 8.37 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 87 S 8.35 4.44 0.00 4.08 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 S 8.41 4.86 0.00 4.06 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 89 V 8.23 4.30 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 0.57 0.00 0.00 0.13 0.00 0.00 90 S 8.36 4.63 0.00 4.11 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 91 Y 8.05 4.66 0.00 2.99 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 92 D 8.08 4.60 0.00 2.55 2.39 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 93 N 8.56 4.86 0.00 2.79 2.80 0.00 0.00 7.11 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 L 7.85 4.05 0.00 1.70 1.55 0.90 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 95 L 8.35 4.30 0.00 1.96 1.72 1.01 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 96 D 9.01 4.39 0.00 2.79 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 97 L 8.07 3.83 0.00 1.66 1.63 0.74 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 98 Y 8.42 4.35 0.00 3.06 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 99 I 7.89 4.18 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 1.47 0.74 0.91 0.00 0.00 100 T 8.16 4.44 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 1.20 0.00 0.00 101 K 8.03 4.33 0.00 1.58 1.68 0.00 1.52 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.38 7.81 102 C 8.27 5.31 0.00 2.87 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 0.00 103 S 8.27 5.44 0.00 3.87 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 0.00 104 L 8.75 4.65 0.00 1.99 1.90 0.78 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 105 L 9.48 5.59 0.00 1.86 1.94 1.11 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 106 K 8.32 4.93 0.00 1.71 1.51 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.34 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.90 0.90 7.81 107 K 8.22 2.48 0.00 1.51 1.60 0.00 1.65 0.00 0.00 1.73 0.00 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.28 1.28 7.81 108 E 7.90 3.92 0.00 1.80 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.27 0.00 109 T 7.49 4.44 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 1.36 0.00 0.00 110 G 8.15 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 0.00 111 F 7.52 3.89 0.00 3.25 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 0.00 112 R 6.97 4.40 0.00 2.06 1.84 0.00 3.37 0.00 0.00 3.31 7.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 113 K 7.83 3.92 0.00 1.65 1.48 0.00 1.63 0.00 0.00 1.52 0.00 0.00 2.95 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.29 1.42 7.81 114 W 7.97 5.42 0.00 3.29 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 F 9.20 4.95 0.00 3.01 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 0.00 116 V 8.60 4.54 2.26 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 0.69 0.00 0.00 0.98 0.00 0.00 117 A 8.97 4.62 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 0.00 118 S 8.61 4.51 0.00 3.85 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 0.00 119 C 8.96 4.60 0.00 2.99 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 0.00 120 I 7.54 4.12 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.59 0.91 0.00 0.00 121 G 7.78 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 0.00 0.00 0.00 122 K 8.46 4.96 0.00 1.62 1.74 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.41 7.81 123 I 8.51 4.70 2.04 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.87 0.92 0.00 0.00 124 P 0.00 4.91 0.00 1.95 1.87 0.00 3.77 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.86 0.00 125 F 7.94 5.29 0.00 3.03 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 V 8.27 4.93 2.05 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 0.97 0.00 0.00 1.12 0.00 0.00 127 C 9.38 5.52 0.00 3.40 3.56 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 0.00 128 K 9.52 5.89 0.00 1.71 1.66 0.00 1.67 0.00 0.00 1.80 0.00 0.00 2.65 0.00 0.00 2.47 0.00 0.00 0.00 0.00 1.25 0.63 7.81 129 F 8.49 5.31 0.00 3.22 3.05 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 0.00 130 P 0.00 4.89 0.00 2.04 2.06 0.00 3.99 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 131 P 0.00 4.56 0.00 1.99 1.94 0.00 3.83 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.00 0.00 132 Q 8.52 4.55 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.88 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 133 C 8.27 4.38 0.00 2.86 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