NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.5688 0.0000 0.0000 62.0884 32.8527 175.0219 2 L 5.5824 7.6836 122.9105 50.8295 44.8572 173.9483 3 R 4.5294 8.2011 115.7683 55.1240 33.1938 173.1382 4 L 4.2942 8.6259 122.2956 55.3044 42.4022 177.0535 5 G 3.9492 8.8726 117.8072 44.5641 0.0000 172.5159 6 G 3.8074 8.8058 107.7766 48.5199 0.0000 174.2099 7 N 4.4819 8.0434 118.7026 52.0146 37.8546 176.3806 8 G 3.8571 8.7067 106.1270 46.6930 0.0000 172.8944 9 Q 4.7470 8.5296 119.1722 53.6200 31.3261 175.2709 10 L 4.6133 8.6258 122.2102 55.1186 42.6343 176.1200 11 Q 4.7002 9.3744 125.2489 54.4709 31.3424 173.5541 12 Y 5.0180 8.7505 128.0507 56.5885 39.9503 174.2859 13 W 5.1640 8.0918 123.0648 54.0037 31.5672 172.9599 14 P 4.1022 0.0000 0.0000 61.5674 31.9853 176.0145 15 F 4.0964 8.1621 118.6083 58.1690 39.5572 175.3371 16 S 4.4632 8.7448 119.4963 57.5897 64.1166 174.7687 17 S 3.8692 9.1567 120.5736 62.0537 62.2962 176.8830 18 S 4.1104 8.0845 118.3457 61.4503 62.6219 176.5494 19 D 3.6550 7.7019 121.0222 56.9748 40.4606 178.8694 20 L 3.6242 7.0022 118.7177 57.9644 41.5494 179.1480 21 Y 4.2571 7.6852 116.8724 61.0148 37.6749 178.2007 22 N 4.3292 8.3967 117.8818 56.2043 38.4339 177.4767 23 W 4.4043 7.7119 119.0800 59.5178 29.1530 178.1393 24 K 4.1432 8.0360 118.6410 59.6776 31.9988 177.8533 25 N 4.5126 8.4407 116.6204 56.6948 38.6111 176.9776 26 N 4.6102 8.4321 111.4433 53.7553 38.1776 174.5324 27 N 5.1133 7.9501 115.0629 50.7408 42.4662 172.6610 28 P 4.5885 0.0000 0.0000 61.6602 32.5668 177.1236 29 S 4.3670 8.3533 114.7513 58.3581 64.5594 174.9615 30 F 4.1572 8.8218 125.4043 61.8719 39.2627 177.3506 31 S 4.1027 8.2649 113.3619 61.5077 62.6863 176.0392 32 E 4.3108 8.0647 121.1248 58.1919 29.6273 176.5305 33 D 4.2951 8.3985 120.9241 51.8826 42.5540 173.5737 34 P 4.1038 0.0000 0.0000 64.7065 31.2232 178.4947 35 G 3.7675 8.2097 104.6183 48.3200 0.0000 175.1835 36 K 4.0879 7.8410 120.5620 58.9900 32.1969 179.3843 37 L 4.0377 7.8576 118.9719 57.6446 41.6340 179.9225 38 T 3.8468 8.1726 116.0837 66.5515 68.5979 176.2359 39 A 3.9338 8.1258 122.8994 55.3307 18.2337 179.5147 40 L 3.6664 8.1368 118.6451 58.4218 42.2406 179.2496 41 I 3.4031 7.4610 119.6577 64.0161 36.7954 177.9260 42 E 3.8390 8.7096 120.5933 59.3932 29.4443 178.7219 43 S 4.0720 7.8097 112.7307 61.5586 62.5153 176.0258 44 V 3.8024 7.6213 122.2293 65.3118 30.7947 177.8578 45 L 4.0339 8.2119 118.0563 58.1731 41.2382 179.5278 46 T 4.0698 7.6676 115.6208 66.9989 68.4414 177.2506 47 T 4.0576 8.5541 112.0051 64.1417 68.8802 175.1786 48 H 4.6477 8.6292 117.0340 54.9722 30.4655 174.4963 49 Q 3.6370 7.7497 119.4078 56.1107 26.2462 172.7321 50 P 4.3624 0.0000 0.0000 62.8153 32.3760 178.1942 51 T 4.3130 8.7620 113.0060 61.0415 71.2608 174.5891 52 W 3.9309 8.6964 128.8907 60.9436 30.6031 177.8168 53 D 4.1218 8.2879 118.3151 57.4625 40.3371 178.1199 54 D 4.5850 8.0867 118.9984 57.8968 40.7686 178.7819 55 C 4.2314 7.8639 116.5367 62.3818 28.1633 176.0912 56 Q 3.7203 7.4443 119.5467 58.8575 28.1472 178.2137 57 Q 3.8868 8.0598 119.1555 58.7864 28.7063 178.1067 58 L 3.6524 8.0836 120.8002 58.7455 41.9714 179.2587 59 L 3.9535 8.2162 118.4009 57.8466 41.4974 180.0056 60 G 3.6328 8.2963 104.1695 47.1523 0.0000 175.1464 61 T 4.3074 7.6989 117.0128 65.6444 69.4204 176.4401 62 L 4.3555 7.8072 117.3426 54.6163 42.1669 176.7307 63 L 4.9546 7.0105 118.2734 52.2072 45.9185 176.6593 64 T 4.4443 9.6694 112.8639 60.8405 71.2334 176.2297 65 G 3.9978 8.5550 110.3055 48.3851 0.0000 175.7147 66 E 3.9910 8.2339 121.0040 59.0565 29.5072 179.3620 67 E 4.0529 8.0942 117.9706 59.2102 29.6529 179.0627 68 K 3.7720 8.2606 120.0464 59.7257 32.3490 178.6006 69 Q 4.0595 8.3637 119.5539 58.8148 28.9110 178.3846 70 R 4.0439 7.6812 119.7447 59.0214 30.0809 179.0305 71 V 3.5060 7.8382 118.0197 66.0279 31.6910 178.0450 72 L 3.8493 7.8635 118.7525 57.5938 41.2851 179.2825 73 L 3.9083 7.5017 118.9208 58.2510 41.8442 178.7388 74 E 3.9177 8.0279 117.6542 58.6573 29.7525 178.2805 75 A 3.8189 7.9663 121.4250 55.1910 18.1784 179.9266 76 R 3.9235 7.3029 114.1275 58.3435 30.0494 178.2930 77 K 4.4659 7.3716 117.0462 55.9518 32.4014 176.7642 78 A 4.5445 7.7445 121.0080 51.5725 20.5488 177.3981 79 V 3.7358 7.7257 119.6255 62.8723 31.8677 176.0335 80 R 4.4754 8.4717 126.3414 55.6311 30.5290 173.6783 81 G 4.0369 8.4490 110.5689 44.4822 0.0000 173.9057 82 N 4.3985 8.6642 115.7920 56.0394 38.9303 175.7609 83 D 4.5963 8.2068 116.6779 53.0000 39.4307 178.5350 84 G 3.9756 8.0545 109.8072 46.9382 0.0000 175.0298 85 R 4.4341 7.4370 118.5443 53.4547 30.8349 179.1554 86 P 5.0194 0.0000 0.0000 62.0650 30.7886 176.1545 87 T 4.0424 8.4032 118.0949 62.2855 67.8540 173.7487 88 Q 4.4181 8.5219 126.2572 56.2439 31.1342 175.8726 89 L 3.9632 7.7505 118.5183 54.5343 40.9585 181.5134 90 P 4.2751 0.0000 0.0000 64.9311 31.2352 177.8443 91 N 4.2132 8.3382 115.1787 56.2897 36.5637 176.0044 92 E 4.1659 8.3142 120.5090 57.8977 29.9254 178.4437 93 V 3.7087 7.6874 117.9972 66.2825 31.6197 177.5331 94 D 4.4523 8.3413 117.2962 57.4397 40.6613 178.6005 95 A 4.2403 7.7098 120.6276 54.7291 18.4397 179.0734 96 A 4.5955 7.7128 118.1233 53.4903 20.3732 178.3359 97 F 4.9678 8.2781 122.7479 55.3911 39.0301 172.4277 98 P 4.5914 0.0000 0.0000 62.0168 32.1361 177.7131 99 L 4.4373 8.6486 120.8220 56.6579 42.1002 176.8759 100 E 4.7402 7.7120 116.1387 53.5269 32.4390 175.2205 101 R 2.0000 7.7740 120.8883 55.4739 29.8321 174.6254 102 P 4.0000 0.0000 0.0000 61.7685 32.8946 175.7371 103 D 4.5633 7.6084 118.1122 52.1410 38.8023 177.3452 104 W 4.3204 7.3092 118.6751 57.6090 30.1335 176.2065 105 D 4.5437 8.6537 123.6640 52.5776 40.0610 176.2370 106 Y 4.3337 8.0580 125.8961 59.4001 38.1519 177.1156 107 T 4.3882 7.6586 109.4064 62.3797 69.5500 174.7204 108 T 4.7051 7.9763 117.0706 60.3477 71.4787 174.4653 109 T 4.1758 8.3325 116.2474 64.7376 68.9498 176.7958 110 E 3.9670 8.0405 121.8887 59.0285 29.4812 179.6055 111 G 3.5519 7.8287 105.2200 47.9810 0.0000 175.8048 112 R 4.0030 8.4783 121.6755 59.0142 30.2036 178.9945 113 N 4.2959 8.3654 116.3467 56.4288 38.4233 177.2906 114 H 3.7014 7.5563 117.8790 58.3221 28.3916 177.5912 115 L 4.0372 7.3304 120.2696 57.9124 41.4724 179.3996 116 V 3.8963 7.7487 117.9293 66.2565 31.3478 177.7698 117 L 4.2299 7.6524 120.4453 57.7126 41.8661 178.0316 118 Y 4.1626 8.6032 119.7121 61.0125 38.8021 178.2742 119 R 4.0444 9.2048 119.9025 59.6782 30.0550 179.1225 120 Q 4.0577 8.3913 117.7250 58.9562 28.6762 178.9730 121 L 3.9892 8.4913 120.5416 57.4970 41.5832 179.2656 122 L 3.8511 8.3372 120.7313 57.9424 42.0656 178.3920 123 L 3.8569 7.9141 120.1018 58.3794 41.9265 178.5641 124 A 4.0606 7.9013 120.3687 55.4735 18.1641 179.8517 125 G 3.4584 8.0428 103.8205 47.7298 0.0000 175.8480 126 L 3.9728 8.0335 121.4249 57.8812 41.5939 179.3861 127 Q 4.0373 8.4974 118.2344 59.1810 28.4595 178.8214 128 N 4.4798 8.0109 115.4503 55.2481 38.7918 177.1392 129 A 4.2891 8.4441 122.9201 55.0365 18.2951 179.7285 130 G 3.5411 8.5201 105.3324 47.6749 0.0000 176.4320 131 R 4.1264 7.5641 124.7245 61.6235 29.3534 182.6629 132 S 4.5309 7.5382 116.6727 58.7561 62.3692 178.6684 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 P 0.00 4.57 0.00 0.49 0.49 0.00 2.58 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.64 0.00 2 L 7.68 5.58 0.00 1.40 1.40 0.89 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 3 R 8.20 4.53 0.00 1.91 2.19 0.00 2.94 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.63 0.00 4 L 8.63 4.29 0.00 1.68 1.66 0.97 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 5 G 8.87 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 G 8.81 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 0.00 0.00 0.00 7 N 8.04 4.48 0.00 2.98 2.98 0.00 0.00 6.02 6.95 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 8 G 8.71 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 Q 8.53 4.75 0.00 2.24 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.16 6.94 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 10 L 8.63 4.61 0.00 1.64 1.43 0.96 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 9.37 4.70 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.91 0.00 0.00 0.00 0.00 0.00 2.38 2.35 0.00 12 Y 8.75 5.02 0.00 2.81 2.97 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 13 W 8.09 5.16 0.00 3.07 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 14 P 0.00 4.10 0.00 2.23 2.16 0.00 3.94 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.07 0.00 15 F 8.16 4.10 0.00 3.01 2.83 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 16 S 8.74 4.46 0.00 4.03 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 17 S 9.16 3.87 0.00 4.32 4.26 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 18 S 8.08 4.11 0.00 3.84 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 19 D 7.70 3.66 0.00 2.37 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 20 L 7.00 3.62 0.00 1.19 1.23 0.65 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 21 Y 7.69 4.26 0.00 2.97 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 22 N 8.40 4.33 0.00 2.61 2.82 0.00 0.00 7.03 7.22 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 23 W 7.71 4.40 0.00 3.44 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.04 4.14 0.00 1.96 2.12 0.00 2.06 0.00 0.00 1.86 0.00 0.00 3.09 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.53 1.55 7.81 25 N 8.44 4.51 0.00 2.83 2.87 0.00 0.00 7.12 7.28 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 26 N 8.43 4.61 0.00 2.79 2.90 0.00 0.00 6.88 8.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 N 7.95 5.11 0.00 2.89 2.70 0.00 0.00 6.92 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 28 P 0.00 4.59 0.00 2.05 2.13 0.00 3.71 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 29 S 8.35 4.37 0.00 4.11 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 30 F 8.82 4.16 0.00 2.99 3.34 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 31 S 8.26 4.10 0.00 3.97 3.90 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 32 E 8.06 4.31 0.00 1.94 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 33 D 8.40 4.30 0.00 2.65 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 34 P 0.00 4.10 0.00 1.92 0.94 0.00 3.50 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.70 0.00 35 G 8.21 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 K 7.84 4.09 0.00 1.80 1.82 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.61 1.62 7.81 37 L 7.86 4.04 0.00 1.88 1.80 1.11 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 38 T 8.17 3.85 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 1.25 0.00 0.00 39 A 8.13 3.93 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 40 L 8.14 3.67 0.00 1.58 1.50 0.81 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 41 I 7.46 3.40 1.83 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.39 0.81 0.00 0.00 42 E 8.71 3.84 0.00 2.06 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 0.00 2.29 2.31 0.00 43 S 7.81 4.07 0.00 3.90 3.84 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 44 V 7.62 3.80 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 1.15 0.00 0.00 -0.05 0.00 0.00 45 L 8.21 4.03 0.00 1.81 1.76 0.97 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 46 T 7.67 4.07 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 47 T 8.55 4.06 4.30 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 1.25 0.00 0.00 48 H 8.63 4.65 0.00 3.42 3.20 0.00 5.88 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 49 Q 7.75 3.64 0.00 2.38 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.98 0.00 0.00 0.00 0.00 0.00 2.33 2.30 0.00 50 P 0.00 4.36 0.00 2.28 2.22 0.00 4.00 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.07 0.00 51 T 8.76 4.31 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 52 W 8.70 3.93 0.00 2.96 2.97 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 53 D 8.29 4.12 0.00 2.81 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 54 D 8.09 4.59 0.00 3.06 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 55 C 7.86 4.23 0.00 3.05 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 Q 7.44 3.72 0.00 1.80 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.91 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 57 Q 8.06 3.89 0.00 2.39 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.65 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 58 L 8.08 3.65 0.00 1.82 1.60 0.79 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 59 L 8.22 3.95 0.00 1.68 1.61 0.91 0.68 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 60 G 8.30 3.63 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 0.00 0.00 0.00 61 T 7.70 4.31 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 1.00 0.00 0.00 62 L 7.81 4.36 0.00 1.54 1.69 0.86 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 63 L 7.01 4.95 0.00 1.55 1.42 0.57 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 64 T 9.67 4.44 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 65 G 8.56 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 66 E 8.23 3.99 0.00 2.10 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 2.42 2.49 0.00 67 E 8.09 4.05 0.00 2.14 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 0.00 2.55 2.40 0.00 68 K 8.26 3.77 0.00 1.74 1.91 0.00 1.46 0.00 0.00 1.53 0.00 0.00 2.82 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.40 7.81 69 Q 8.36 4.06 0.00 2.17 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.60 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 70 R 7.68 4.04 0.00 2.06 2.00 0.00 3.21 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 71 V 7.84 3.51 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 0.99 0.00 0.00 0.71 0.00 0.00 72 L 7.86 3.85 0.00 1.78 1.82 1.01 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 73 L 7.50 3.91 0.00 2.00 1.82 0.93 0.82 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 74 E 8.03 3.92 0.00 2.13 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 2.29 2.32 0.00 75 A 7.97 3.82 0.36 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 76 R 7.30 3.92 0.00 1.93 2.03 0.00 3.36 0.00 0.00 3.37 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.68 0.00 77 K 7.37 4.47 0.00 1.62 1.79 0.00 1.63 0.00 0.00 1.80 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.50 7.81 78 A 7.74 4.54 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 79 V 7.73 3.74 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 1.00 0.00 0.00 1.00 0.00 0.00 80 R 8.47 4.48 0.00 1.87 1.69 0.00 3.32 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 1.55 1.19 0.00 81 G 8.45 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 N 8.66 4.40 0.00 2.73 2.90 0.00 0.00 6.82 8.06 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 83 D 8.21 4.60 0.00 2.83 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 84 G 8.05 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 0.00 0.00 0.00 85 R 7.44 4.43 0.00 1.78 1.80 0.00 3.29 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.42 0.00 86 P 0.00 5.02 0.00 2.17 2.15 0.00 3.35 0.00 0.00 4.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.92 0.00 87 T 8.40 4.04 4.31 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 1.28 0.00 0.00 88 Q 8.52 4.42 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.87 6.76 0.00 0.00 0.00 0.00 0.00 2.26 2.38 0.00 89 L 7.75 3.96 0.00 1.52 1.62 0.92 1.28 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 90 P 0.00 4.28 0.00 2.17 2.17 0.00 3.61 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.21 0.00 91 N 8.34 4.21 0.00 3.01 3.14 0.00 0.00 5.70 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 92 E 8.31 4.17 0.00 2.11 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 0.00 2.31 2.34 0.00 93 V 7.69 3.71 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 1.18 0.00 0.00 0.98 0.00 0.00 94 D 8.34 4.45 0.00 2.80 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 95 A 7.71 4.24 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 A 7.71 4.60 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.28 4.97 0.00 3.08 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 98 P 0.00 4.59 0.00 2.13 2.07 0.00 4.19 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.43 0.00 99 L 8.65 4.44 0.00 1.77 1.89 1.01 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 100 E 7.71 4.74 0.00 1.81 1.64 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 2.23 2.17 0.00 101 R 7.77 2.00 0.00 1.02 1.37 0.00 3.03 0.00 0.00 3.10 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.92 0.00 102 P 0.00 4.00 0.00 0.49 0.94 0.00 2.20 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 0.49 0.44 0.00 103 D 7.61 4.56 0.00 2.67 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 W 7.31 4.32 0.00 3.35 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 D 8.65 4.54 0.00 2.62 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 0.00 106 Y 8.06 4.33 0.00 3.07 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 T 7.66 4.39 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 108 T 7.98 4.71 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 1.32 0.00 0.00 109 T 8.33 4.18 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 1.21 0.00 0.00 110 E 8.04 3.97 0.00 1.98 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 2.29 2.31 0.00 111 G 7.83 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 0.00 112 R 8.48 4.00 0.00 1.81 2.01 0.00 3.16 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 2.00 0.00 113 N 8.37 4.30 0.00 2.79 2.72 0.00 0.00 7.04 9.01 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 0.00 114 H 7.56 3.70 0.00 2.08 1.31 0.00 5.63 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 L 7.33 4.04 0.00 1.89 1.80 1.26 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 116 V 7.75 3.90 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 1.09 0.00 0.00 0.99 0.00 0.00 117 L 7.65 4.23 0.00 1.80 1.77 0.96 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 118 Y 8.60 4.16 0.00 3.38 3.34 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 0.00 119 R 9.20 4.04 0.00 2.01 2.05 0.00 3.26 0.00 0.00 3.40 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 2.03 0.00 120 Q 8.39 4.06 0.00 2.30 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.53 0.00 121 L 8.49 3.99 0.00 2.12 1.78 1.15 0.40 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 0.00 122 L 8.34 3.85 0.00 1.79 1.83 0.97 0.39 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 0.00 123 L 7.91 3.86 0.00 1.80 1.85 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 124 A 7.90 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 0.00 125 G 8.04 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 L 8.03 3.97 0.00 1.86 1.78 0.84 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 127 Q 8.50 4.04 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.70 0.00 0.00 0.00 0.00 0.00 2.40 2.57 0.00 128 N 8.01 4.48 0.00 2.78 2.85 0.00 0.00 7.03 7.51 0.00 0.00 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 A 8.44 4.29 1.50 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 0.00 0.00 130 G 8.52 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 R 7.56 4.13 0.00 1.89 1.87 0.00 3.27 0.00 0.00 3.26 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.52 0.00 132 S 7.54 4.53 0.00 3.66 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00