NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1B H 4.5948 8.4449 117.8390 53.7350 31.1782 169.0989 1C H 4.0996 8.1593 123.6340 55.7114 28.2466 173.3681 1D H 4.8334 9.5511 121.5462 55.8312 30.5716 173.3687 1E H 5.0897 7.6731 115.5469 53.6526 32.6259 172.3091 1F H 4.6375 8.8977 116.9161 55.9575 28.9710 174.3604 1G F 4.8613 8.4208 119.5111 57.8293 39.9243 174.2343 2 N 4.6238 8.5305 117.2988 52.4118 38.9824 174.4226 3 L 4.7766 8.0713 123.4987 51.9958 43.8201 174.7847 4 P 4.4471 0.0000 0.0000 61.7234 32.0990 174.1635 5 P 4.3936 0.0000 0.0000 62.2662 32.4552 176.2123 6 G 3.9655 9.2849 104.0606 45.4605 0.0000 172.0135 7 N 4.3211 7.7647 114.3402 51.7717 40.0183 174.1364 8 Y 4.8801 7.9590 116.0437 58.1712 38.5902 176.6381 9 K 4.0499 8.1866 121.9332 58.9213 32.2471 177.1527 10 K 4.7181 7.6152 114.8095 53.2825 35.3592 173.6664 11 P 4.8383 0.0000 0.0000 63.2809 32.5326 174.6829 12 K 4.6642 9.2427 118.8963 56.4394 36.6089 174.0848 13 L 5.1776 9.3413 120.3432 53.0652 44.7758 176.2662 14 L 5.0874 8.6187 122.1488 53.4728 43.7333 174.6168 15 Y 4.9144 9.3115 127.2601 56.6088 40.4737 173.6750 16 C 4.4501 8.8260 128.4132 57.0190 32.3989 174.4795 17 S 3.9532 8.2365 120.9580 60.0076 63.2539 175.0239 18 N 4.2025 7.8631 119.8574 56.2764 38.6661 175.5240 19 G 3.9170 7.7749 102.5121 44.5843 0.0000 172.9947 20 G 3.5527 7.7600 107.5518 44.3305 0.0000 173.0128 21 H 4.9483 7.4417 114.9506 53.6154 32.0533 173.8804 22 F 5.2293 8.8498 120.5430 56.2460 40.3695 175.1883 23 L 4.6168 9.0418 126.0425 55.3632 43.1727 175.6244 24 R 4.9138 9.6309 126.3000 54.5917 33.7254 174.0239 25 I 4.8230 8.1919 126.2437 59.4042 38.8815 175.7261 26 L 4.1007 8.7650 127.9563 53.4145 42.2997 176.8833 27 P 4.1588 0.0000 0.0000 65.8041 31.2747 177.3270 28 D 4.5009 7.9685 114.5216 53.6484 39.6566 177.0393 29 G 3.9971 8.5492 109.9385 45.3273 0.0000 173.7140 30 T 4.3501 8.2042 114.7751 61.5379 68.0798 173.2049 31 V 4.8520 8.0121 125.7755 61.1597 34.4692 174.5332 32 D 4.5861 8.6333 125.6954 53.0414 42.6760 174.0814 33 G 4.6017 8.5369 104.4475 45.5030 0.0000 172.2460 34 T 5.0064 8.8411 115.3070 60.4268 71.0647 174.7158 35 R 4.2250 8.8981 124.4198 56.9121 30.8955 176.4228 36 D 4.5677 8.4931 119.4512 53.5239 40.1058 176.5498 37 R 3.6425 8.6227 127.5412 57.9359 30.2586 177.0126 38 S 4.4692 8.0310 110.7148 58.3484 63.6901 174.0053 39 D 4.3478 7.7212 121.8826 55.1116 41.2225 175.9026 40 Q 4.4181 8.4320 123.0006 56.1890 29.2213 175.8452 41 H 4.9272 9.2832 115.5918 55.4584 29.3011 175.0712 42 I 4.5641 7.4573 111.1369 59.9838 38.1708 175.3280 43 Q 4.2166 7.8721 121.9350 55.8318 29.6954 174.7310 44 L 4.9602 9.0370 124.8840 52.7861 45.4243 175.4457 45 Q 4.8304 9.2859 125.0913 54.5302 30.6453 174.5623 46 L 5.1463 8.5629 126.7302 54.1164 43.4658 176.2057 47 S 4.6401 8.4609 114.1552 57.0581 66.7419 172.9447 48 A 5.2484 8.4796 122.3794 50.8519 20.9714 177.9121 49 E 4.2878 8.7668 119.2190 56.5316 29.6828 179.3927 50 S 4.5318 6.5985 115.3375 56.9568 64.3600 173.3689 51 V 3.7934 8.2201 121.4025 64.8798 31.5675 176.3074 52 G 3.9338 9.1710 114.4237 45.3729 0.0000 171.9485 53 E 5.2406 8.2155 119.6909 54.7051 32.1539 175.5745 54 V 4.8267 8.8968 115.8008 59.9870 36.8927 173.8607 55 Y 5.1803 8.7789 119.9636 56.4829 41.1954 175.2195 56 I 4.5250 8.5834 122.3394 59.5911 40.4463 174.0720 57 K 4.7171 8.6503 129.0259 54.0077 35.0421 175.0793 58 S 4.4137 8.6666 123.1790 58.5576 62.5680 174.9115 59 T 3.8048 8.5441 118.8236 64.5644 68.6918 175.8132 60 E 4.0966 8.3425 122.6341 58.2018 29.9733 176.9598 61 T 4.3033 7.9832 106.8641 60.7901 70.4652 175.4478 62 G 3.7760 8.2604 109.4780 44.9240 0.0000 173.4566 63 Q 4.3835 7.5891 118.4282 55.9072 30.3570 174.5037 64 Y 4.8089 8.8277 119.0157 55.9295 40.7712 175.3276 65 L 4.4072 8.9651 125.7202 55.4398 43.4846 175.5915 66 A 5.0880 8.6215 125.6690 50.7846 23.2363 174.5363 67 M 5.3585 8.6385 119.3946 53.8734 34.9406 175.5556 68 D 5.2646 9.6033 126.1753 51.8226 41.1186 177.0585 69 T 4.2451 8.5436 108.4157 64.1111 68.6596 174.4947 70 D 4.6587 8.4246 120.6850 53.9306 41.3306 176.8383 71 G 3.2387 8.6545 108.3855 45.5546 0.0000 173.0467 72 L 4.7694 7.9827 119.5420 52.8999 43.1552 176.1062 73 L 5.1106 8.3080 122.5019 55.1133 42.8925 175.4253 74 Y 4.9228 8.7525 118.9187 56.2021 41.9528 173.3269 75 G 4.2085 8.9961 108.5298 45.3855 0.0000 173.2177 76 S 5.1029 9.1159 120.4308 56.5988 64.3777 175.2565 77 Q 4.4280 9.0571 124.9688 57.9748 28.9785 176.3784 78 T 4.7036 7.6806 106.9349 59.0530 71.9548 172.6299 79 P 4.0081 0.0000 0.0000 60.6670 30.2780 174.3318 80 N 4.7337 7.2945 118.3625 51.9803 40.0507 175.8653 81 E 3.8693 8.7142 115.1344 59.6053 29.1799 177.6419 82 E 4.1584 9.0312 118.3364 57.3703 29.8531 177.5153 83 T 4.8510 7.9300 108.7290 60.4851 69.8437 173.6665 84 L 4.2787 7.2581 123.6783 54.0414 43.2099 175.6409 85 F 5.1826 8.9911 121.8245 55.5731 43.5436 174.4156 86 L 4.9258 9.0955 122.1658 53.5614 42.7040 175.4711 87 E 4.4233 8.7723 126.7714 55.4304 30.1878 175.8992 88 R 4.8115 8.5622 125.4463 53.9777 34.6234 174.6991 89 L 4.6541 8.7593 124.5149 55.2685 43.1275 175.8477 90 E 4.7061 9.2396 125.3263 55.1806 33.6109 174.9090 91 E 4.0181 9.7127 123.6241 57.8646 27.2923 174.2755 92 N 4.3203 8.5226 110.4453 54.1406 36.6108 174.0296 93 H 4.8196 8.3898 116.5588 57.6424 37.4181 173.5387 94 Y 4.5819 7.7989 116.0904 57.4816 40.1204 173.5340 95 N 5.5914 9.6956 118.1921 51.9920 41.2068 174.6255 96 T 5.2975 8.7672 112.4423 60.1499 72.9876 172.5183 97 Y 4.9494 8.6139 118.9873 56.5758 41.6004 174.2211 98 I 4.6331 8.4208 125.8312 59.0456 39.7605 175.4434 99 S 4.0192 8.8388 122.2449 58.6488 62.4815 174.0487 100 K 3.9623 8.6966 129.1645 59.4124 32.3021 178.6438 101 K 3.7465 7.9190 118.1253 59.1992 32.1431 176.8170 102 H 4.6052 8.0717 114.8098 55.0749 29.4647 176.5222 103 A 3.9347 7.8122 125.6117 55.3167 18.2370 180.7999 104 E 3.8614 7.9511 111.7904 58.4079 29.7360 177.6167 105 K 4.0387 7.6738 117.7356 55.6148 32.5467 175.8865 106 N 3.9601 7.6023 115.5522 53.9259 36.6062 174.4947 107 W 4.9784 7.8273 117.5701 56.0908 30.6846 176.7352 108 F 5.4096 9.2329 124.0788 55.5587 41.3673 175.7198 109 V 4.0057 8.9684 121.7436 63.0806 32.5460 175.2177 110 G 4.4928 8.4788 112.1683 45.4868 0.0000 171.5939 111 L 5.2919 8.1812 120.8515 52.4828 44.8465 177.2955 112 K 4.2599 9.2007 123.3315 55.4939 32.9733 178.3474 113 K 4.0113 8.3694 119.2531 59.4227 31.9389 178.1316 114 N 4.5139 8.0116 113.6980 53.0881 37.7983 175.8604 115 G 3.5607 8.0633 109.4108 45.1450 0.0000 174.0026 116 S 4.6670 8.7619 115.3237 57.5672 64.1092 173.3604 117 C 4.7825 8.2353 116.6908 58.1909 30.3813 173.3660 118 K 4.3568 9.1220 121.1927 56.1919 33.1774 176.4939 119 R 4.3208 8.3399 121.0357 54.9493 31.7104 177.5778 120 G 3.3910 8.9713 114.2857 48.2434 0.0000 174.1539 121 P 4.3020 0.0000 0.0000 64.3209 31.3615 177.3356 122 R 4.3864 7.9632 116.0352 56.0843 30.4194 176.1388 123 T 5.1786 7.4780 108.2150 59.7105 70.9634 173.2909 124 H 4.7265 7.8261 115.3278 55.0647 30.4112 173.1798 125 Y 3.9280 8.7413 118.3116 59.8874 38.1345 176.7536 126 G 4.0857 8.9822 111.0724 45.6826 0.0000 174.1885 127 Q 4.1653 7.4431 118.5135 55.5040 29.6967 177.0172 128 K 3.8886 8.2383 118.4205 58.1872 32.9679 179.3279 129 A 3.9293 7.7468 121.6727 54.2872 18.3763 178.3867 130 I 4.4622 7.1640 106.2534 60.2104 38.4118 175.2263 131 L 4.4076 7.2507 123.0339 53.9445 42.7915 175.7522 132 F 5.2818 9.3012 122.2150 55.4975 43.3069 173.8333 133 L 5.2613 9.2817 123.8015 52.6021 44.9380 173.6331 134 P 5.1094 0.0000 0.0000 62.8106 32.2007 175.5641 135 L 5.1060 9.3818 123.8093 51.8250 45.6768 174.3916 136 P 4.7061 0.0000 0.0000 62.6136 32.4280 176.7691 137 V 3.7216 8.1699 113.3124 61.8528 31.5372 176.2812 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 1B H 8.44 4.59 0.00 3.04 3.25 0.00 5.76 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1C H 8.16 4.10 0.00 3.33 3.53 0.00 5.68 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1D H 9.55 4.83 0.00 3.05 3.21 0.00 5.64 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1E H 7.67 5.09 0.00 3.14 3.30 0.00 5.71 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1F H 8.90 4.64 0.00 3.32 3.39 0.00 5.66 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1G F 8.42 4.86 0.00 2.92 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 N 8.53 4.62 0.00 2.95 2.79 0.00 0.00 6.89 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.07 4.78 0.00 1.48 1.42 0.63 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.45 0.00 2.17 2.13 0.00 3.69 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 1.99 1.99 0.00 5 P 0.00 4.39 0.00 2.17 2.09 0.00 3.71 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.93 0.00 6 G 9.28 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 7 N 7.76 4.32 0.00 2.55 2.60 0.00 0.00 5.89 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 Y 7.96 4.88 0.00 3.05 3.20 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 9 K 8.19 4.05 0.00 1.87 1.92 0.00 1.63 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.54 7.81 10 K 7.62 4.72 0.00 1.72 1.69 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.39 7.81 11 P 0.00 4.84 0.00 2.06 2.07 0.00 3.80 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 12 K 9.24 4.66 0.00 1.98 1.98 0.00 1.38 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.38 1.65 7.81 13 L 9.34 5.18 0.00 1.71 1.70 0.41 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.62 5.09 0.00 1.56 1.63 0.34 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 9.31 4.91 0.00 3.22 3.12 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 16 C 8.83 4.45 0.00 2.42 2.46 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 17 S 8.24 3.95 0.00 3.95 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 18 N 7.86 4.20 0.00 2.52 2.74 0.00 0.00 6.77 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 G 7.77 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 20 G 7.76 3.55 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 0.00 21 H 7.44 4.95 0.00 3.03 3.18 0.00 5.81 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 22 F 8.85 5.23 0.00 3.10 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 23 L 9.04 4.62 0.00 1.84 1.54 0.97 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 24 R 9.63 4.91 0.00 1.92 2.04 0.00 3.30 0.00 0.00 3.30 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.70 0.00 25 I 8.19 4.82 1.83 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.74 0.88 0.00 0.00 26 L 8.77 4.10 0.00 1.87 1.52 0.92 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.16 0.00 1.99 2.10 0.00 3.54 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.91 0.00 28 D 7.97 4.50 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 29 G 8.55 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 30 T 8.20 4.35 4.25 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 1.31 0.00 0.00 31 V 8.01 4.85 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 0.90 0.00 0.00 0.95 0.00 0.00 32 D 8.63 4.59 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 33 G 8.54 4.60 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 0.00 0.00 0.00 34 T 8.84 5.01 4.33 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 1.36 0.00 0.00 35 R 8.90 4.23 0.00 1.90 2.01 0.00 3.23 0.00 0.00 3.09 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.60 0.00 36 D 8.49 4.57 0.00 2.80 2.66 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 0.00 0.00 0.00 0.00 37 R 8.62 3.64 0.00 1.87 1.88 0.00 3.24 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.21 0.00 38 S 8.03 4.47 0.00 4.00 3.93 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 39 D 7.72 4.35 0.00 2.80 2.63 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 40 Q 8.43 4.42 0.00 1.86 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 7.06 0.00 0.00 0.00 0.00 0.00 2.28 2.21 0.00 41 H 9.28 4.93 0.00 3.32 3.43 0.00 5.78 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.46 4.56 1.90 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.07 1.04 0.00 0.00 43 Q 7.87 4.22 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.89 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 44 L 9.04 4.96 0.00 1.58 1.44 0.81 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 9.29 4.83 0.00 2.10 1.92 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 2.26 2.37 0.00 46 L 8.56 5.15 0.00 1.63 1.19 0.88 1.03 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 47 S 8.46 4.64 0.00 3.96 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 48 A 8.48 5.25 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 49 E 8.77 4.29 0.00 1.63 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 2.15 2.40 0.00 50 S 6.60 4.53 0.00 4.28 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 51 V 8.22 3.79 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 1.03 0.00 0.00 52 G 9.17 3.93 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 0.00 0.00 0.00 53 E 8.22 5.24 0.00 1.94 1.68 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 2.21 2.29 0.00 54 V 8.90 4.83 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 0.56 0.00 0.00 1.10 0.00 0.00 55 Y 8.78 5.18 0.00 2.97 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 56 I 8.58 4.52 1.72 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.68 0.68 0.00 0.00 57 K 8.65 4.72 0.00 1.57 1.55 0.00 1.18 0.00 0.00 1.17 0.00 0.00 2.68 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.88 0.21 7.81 58 S 8.67 4.41 0.00 3.86 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 59 T 8.54 3.80 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 1.17 0.00 0.00 60 E 8.34 4.10 0.00 2.00 2.04 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 2.28 2.38 0.00 61 T 7.98 4.30 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 1.21 0.00 0.00 62 G 8.26 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 0.00 0.00 0.00 63 Q 7.59 4.38 0.00 1.98 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.72 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 64 Y 8.83 4.81 0.00 2.90 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 65 L 8.97 4.41 0.00 1.62 1.48 0.80 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 66 A 8.62 5.09 0.55 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 67 M 8.64 5.36 0.00 2.23 2.25 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 2.68 2.69 0.00 68 D 9.60 5.26 0.00 3.00 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 69 T 8.54 4.25 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 70 D 8.42 4.66 0.00 2.79 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 G 8.65 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 0.00 0.00 0.00 72 L 7.98 4.77 0.00 2.05 1.61 0.88 0.29 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 73 L 8.31 5.11 0.00 1.57 1.62 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 74 Y 8.75 4.92 0.00 3.01 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 G 9.00 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 0.00 0.00 0.00 0.00 76 S 9.12 5.10 0.00 3.73 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 77 Q 9.06 4.43 0.00 2.15 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.54 0.00 0.00 0.00 0.00 0.00 2.43 2.34 0.00 78 T 7.68 4.70 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 79 P 0.00 4.01 0.00 0.90 0.49 0.00 3.13 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.32 0.00 80 N 7.29 4.73 0.00 2.96 3.00 0.00 0.00 5.83 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.71 3.87 0.00 2.04 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 2.27 2.33 0.00 82 E 9.03 4.16 0.00 2.17 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 2.37 2.45 0.00 83 T 7.93 4.85 4.50 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 1.31 0.00 0.00 84 L 7.26 4.28 0.00 1.37 1.35 0.78 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 85 F 8.99 5.18 0.00 3.10 3.06 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 86 L 9.10 4.93 0.00 1.51 1.60 0.89 0.89 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 87 E 8.77 4.42 0.00 2.15 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.89 0.00 88 R 8.56 4.81 0.00 1.76 1.78 0.00 3.11 0.00 0.00 2.87 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.61 0.00 89 L 8.76 4.65 0.00 1.73 1.70 1.01 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 90 E 9.24 4.71 0.00 2.18 1.85 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 2.28 2.42 0.00 91 E 9.71 4.02 0.00 2.43 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 2.29 2.39 0.00 92 N 8.52 4.32 0.00 2.84 2.89 0.00 0.00 6.87 8.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 H 8.39 4.82 0.00 2.87 2.91 0.00 5.94 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 Y 7.80 4.58 0.00 2.98 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 95 N 9.70 5.59 0.00 3.01 2.53 0.00 0.00 6.95 7.30 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 96 T 8.77 5.30 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 1.34 0.00 0.00 97 Y 8.61 4.95 0.00 2.78 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 98 I 8.42 4.63 1.68 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.19 0.55 0.62 0.00 0.00 99 S 8.84 4.02 0.00 4.06 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 0.00 100 K 8.70 3.96 0.00 1.67 1.63 0.00 1.60 0.00 0.00 1.46 0.00 0.00 2.78 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.29 7.81 101 K 7.92 3.75 0.00 1.59 1.61 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.96 1.30 7.81 102 H 8.07 4.61 0.00 3.15 2.45 0.00 5.69 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 7.81 3.93 1.38 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 0.00 0.00 0.00 104 E 7.95 3.86 0.00 1.76 1.78 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 2.09 2.12 0.00 105 K 7.67 4.04 0.00 0.79 1.14 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.53 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.02 0.87 7.81 106 N 7.60 3.96 0.00 3.00 3.07 0.00 0.00 6.92 7.02 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 0.00 107 W 7.83 4.98 0.00 3.24 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 0.00 108 F 9.23 5.41 0.00 2.86 3.03 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 0.00 109 V 8.97 4.01 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 0.67 0.00 0.00 0.50 0.00 0.00 110 G 8.48 4.49 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 0.00 111 L 8.18 5.29 0.00 1.41 1.47 1.04 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 112 K 9.20 4.26 0.00 1.94 1.69 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.40 1.46 7.81 113 K 8.37 4.01 0.00 1.71 1.84 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.54 1.41 7.81 114 N 8.01 4.51 0.00 2.78 2.90 0.00 0.00 6.25 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 G 8.06 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 0.00 0.00 0.00 116 S 8.76 4.67 0.00 3.95 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 C 8.24 4.78 0.00 3.01 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 0.00 118 K 9.12 4.36 0.00 1.70 1.74 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.28 7.81 119 R 8.34 4.32 0.00 1.63 1.62 0.00 3.06 0.00 0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 120 G 8.97 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 P 0.00 4.30 0.00 1.90 2.15 0.00 3.09 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.39 0.00 122 R 7.96 4.39 0.00 1.83 1.92 0.00 3.28 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 123 T 7.48 5.18 4.33 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 1.39 0.00 0.00 124 H 7.83 4.73 0.00 3.45 3.54 0.00 5.67 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 Y 8.74 3.93 0.00 3.14 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 0.00 126 G 8.98 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 0.00 127 Q 7.44 4.17 0.00 1.81 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 6.68 0.00 0.00 0.00 0.00 0.00 2.18 2.07 0.00 128 K 8.24 3.89 0.00 1.62 1.63 0.00 1.50 0.00 0.00 1.61 0.00 0.00 2.82 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.26 7.81 129 A 7.75 3.93 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 0.00 130 I 7.16 4.46 1.69 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.83 0.52 0.00 0.00 131 L 7.25 4.41 0.00 1.06 0.80 0.27 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 132 F 9.30 5.28 0.00 3.41 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 0.00 133 L 9.28 5.26 0.00 2.01 1.77 0.80 0.98 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 0.00 134 P 0.00 5.11 0.00 2.22 2.20 0.00 3.87 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.10 0.00 135 L 9.38 5.11 0.00 1.66 1.61 0.94 0.84 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 0.00 136 P 0.00 4.71 0.00 2.07 2.06 0.00 3.78 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 137 V 8.17 3.72 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 0.64 0.00 0.00 0.91 0.00 0.00