NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6973 8.3049 118.3338 55.2787 32.8980 174.4220 2 K 4.5781 9.1981 119.4255 54.0426 36.9832 170.1067 3 V 4.8106 8.6098 122.8842 61.2798 34.8469 173.6174 4 Y 4.8129 9.0777 128.5387 55.8149 42.0178 173.8150 5 F 5.3023 8.2664 123.9945 55.9339 42.3333 173.6625 6 D 4.7792 9.1271 120.8073 53.2235 45.5561 173.1441 7 D 5.3285 8.5492 119.1851 52.3581 44.4333 175.5597 8 I 4.4539 8.5607 123.1421 59.6099 40.2317 174.0233 9 Y 5.2613 8.5725 123.7549 56.1617 40.5467 175.2072 10 V 4.5792 8.8710 123.7020 61.0457 34.7778 174.1434 11 S 5.2751 8.8545 122.8083 57.3577 64.2373 173.3833 12 T 4.7063 9.0825 113.7004 60.0919 70.8079 174.7160 13 A 4.4752 9.1010 126.0278 52.4957 20.8981 177.2021 14 R 4.7403 7.6472 113.2760 53.9728 33.8428 176.2292 15 Q 4.3939 8.6421 120.5729 58.3976 29.9053 175.9001 16 F 5.3883 7.9411 116.1273 55.6121 41.3280 174.5019 17 E 4.7983 9.4196 123.7168 54.9456 33.5824 173.3533 18 L 5.2317 8.5262 125.1549 52.9627 44.1620 175.8037 19 V 4.4711 8.9521 124.1135 60.8994 34.1295 173.9304 20 D 4.5761 9.1260 128.8883 53.7983 41.7165 175.5986 21 I 4.7330 8.3884 118.2467 59.9826 38.4093 177.3411 22 T 3.6727 8.2400 120.0096 67.5081 68.1164 176.0203 23 D 4.3274 7.9261 119.9029 57.4341 40.7362 178.7933 24 Q 3.9622 7.9254 118.1277 58.7919 28.6978 178.7463 25 V 3.5580 7.8391 119.2708 66.0360 31.5371 177.8036 26 E 3.8547 8.4028 118.7378 59.4727 29.2383 179.1115 27 Q 3.9241 8.3519 119.7590 59.3662 29.1130 178.5974 28 I 3.8280 7.7732 120.7723 64.2151 36.9043 178.4714 29 V 3.5141 7.7798 118.4207 65.9525 31.5709 177.2726 30 E 3.9992 8.2170 118.9188 59.4688 29.2855 179.0723 31 K 3.9298 8.1413 117.4722 59.1982 32.0909 179.1835 32 S 2.7949 7.3862 114.0724 58.9033 62.8041 175.8417 33 G 3.8278 7.5365 108.3299 45.2849 0.0000 173.5594 34 I 3.9580 7.3756 121.1202 61.0001 38.0024 175.9737 35 K 4.3287 8.5124 123.4049 57.6273 33.2864 176.5219 36 N 5.4369 8.8324 116.7552 51.2777 42.6823 173.2768 37 G 4.2920 7.8212 112.8500 46.1782 0.0000 171.1790 38 I 5.1158 8.1241 116.0065 59.2083 41.9105 174.7119 39 C 5.1800 9.1432 123.2150 57.6835 34.2520 172.2445 40 L 4.9978 9.0568 129.8888 54.0202 43.6897 175.0977 41 I 4.9947 8.8619 126.9932 59.5656 40.0643 174.3190 42 F 5.4027 9.3960 129.6472 56.2570 42.7705 173.4691 43 V 4.4558 7.9746 126.1387 59.1657 32.5972 176.9716 44 A 4.3310 7.5443 132.2338 50.5800 17.6047 176.2231 45 H 4.8730 7.1950 117.4890 54.2375 33.0258 174.6112 46 S 4.6046 8.6802 115.7282 58.8253 63.5512 174.8647 47 T 4.6305 7.7152 110.8580 61.2707 69.9043 172.9037 48 A 4.9309 7.9229 121.4765 51.1280 23.0089 175.1141 49 A 4.7640 8.8851 119.6908 50.8823 23.6827 175.0833 50 I 5.0713 8.2606 118.9184 59.9124 39.9381 176.0657 51 V 4.8057 8.9514 118.7280 59.5443 36.5854 174.2418 52 A 5.3616 8.3269 122.3024 51.0038 21.7653 175.1481 53 N 4.6896 9.0595 120.0796 53.3280 43.6202 172.1461 54 E 4.9527 8.9754 119.5256 56.0201 30.4536 178.2058 55 H 4.8224 9.1839 127.4208 55.1785 28.5267 172.5067 56 E 4.7593 8.1185 122.7802 52.9813 33.1335 175.3820 57 R 3.9958 8.8395 123.6992 59.2313 29.4203 179.1940 58 G 3.5205 8.3423 105.9389 47.6490 0.0000 175.2493 59 L 4.1548 8.4276 125.1240 57.3862 42.1743 178.8602 60 M 3.8683 8.2390 118.8817 58.3189 31.7838 178.5611 61 E 3.9131 8.0727 118.5483 59.5004 29.5831 178.9494 62 D 4.3275 8.2236 119.0625 57.5235 40.8288 178.9409 63 I 3.7245 8.0733 120.3367 64.6512 37.0733 178.5828 64 L 3.9468 7.7141 119.0512 57.7765 41.3483 179.7523 65 T 3.7099 8.1353 116.2017 66.4519 68.3783 176.4780 66 K 3.8652 8.3611 121.8290 59.5141 32.1012 178.6113 67 I 3.7301 7.8942 120.1729 64.4769 37.0013 178.3713 68 K 3.6938 8.0312 119.2759 59.5925 31.6257 179.2218 69 E 3.9372 7.9993 117.3676 59.4133 29.4435 178.9593 70 F 4.3879 8.3500 120.1132 61.0599 39.5661 176.6376 71 T 4.0292 8.2061 107.8296 60.7578 70.8283 174.0175 72 E 3.7753 8.5124 122.1232 56.1472 26.6660 173.0652 73 P 4.2396 0.0000 0.0000 65.1726 31.9903 177.8860 74 S 4.4491 7.8987 109.9658 58.5202 63.6936 174.2975 75 R 3.8878 7.6321 122.0136 56.2803 30.7987 176.8762 76 S 4.4855 7.8770 120.6655 56.9256 61.8382 174.5222 77 W 4.5509 7.4676 122.1298 56.6652 30.4500 178.2024 78 K 4.0923 9.0539 120.9971 59.9522 31.5080 179.1668 79 H 4.3174 8.3961 117.7484 58.8262 29.6101 176.3863 80 N 5.2342 8.0163 118.1921 54.5957 38.4454 176.4904 81 L 4.1089 7.6267 120.1733 57.4666 41.7117 178.8692 82 I 4.0741 7.4894 118.4082 62.0377 38.4479 175.5890 83 D 4.7758 6.9413 117.8940 52.5229 44.3652 174.8340 84 D 4.8823 8.5641 125.3704 53.8761 39.8033 176.2066 85 N 4.8492 8.0239 112.2535 52.8309 38.8495 175.6916 86 A 4.0130 8.9635 124.3889 56.4661 18.1740 180.0087 87 H 4.1211 8.3667 112.6209 58.9356 28.4521 177.4725 88 A 4.0056 7.4832 122.9074 55.2269 18.1271 179.3100 89 H 4.3532 7.9096 115.5004 58.4221 28.7871 177.9097 90 L 4.0800 8.0543 120.9550 57.6526 41.3330 179.8147 91 G 3.7233 8.4106 105.6036 47.8494 0.0000 175.6056 92 A 4.0623 8.1947 123.5266 55.0897 18.1471 179.8092 93 T 3.8090 8.0291 113.4797 66.9061 68.6287 176.6203 94 F 4.0553 8.2837 118.3682 60.5307 39.0942 177.5918 95 L 4.2080 8.2965 118.0749 55.0928 42.2432 178.7284 96 G 3.9591 8.2409 104.3788 45.6647 0.0000 173.5297 97 A 4.5078 8.4126 121.2791 52.2536 19.9009 176.6255 98 E 5.3517 7.9710 112.1772 54.6399 33.0602 175.0862 99 R 4.8384 9.0474 119.3994 54.4740 34.7012 174.4006 100 V 4.9306 8.2977 120.6741 61.3005 34.0081 174.6007 101 F 4.8801 9.3617 126.3923 54.9963 42.3402 173.4224 102 P 4.8038 0.0000 0.0000 62.4912 33.0341 175.2468 103 V 4.8333 8.6334 122.1154 61.1811 34.4810 174.5035 104 R 4.8093 8.9877 127.9643 55.3627 33.6311 174.7309 105 E 3.7631 10.0563 127.0088 57.6018 27.6524 175.8840 106 G 3.9399 8.6181 104.7058 45.4248 0.0000 174.0144 107 K 4.5518 7.6550 119.0646 53.7032 35.0357 175.1758 108 L 4.2636 8.3685 125.2497 55.2172 42.6459 176.2104 109 V 4.1866 8.7601 128.1256 62.4058 31.8881 175.1807 110 R 4.8928 8.3545 122.9659 55.1824 32.3665 174.8911 111 G 3.9354 9.7056 110.0702 45.0282 0.0000 174.9642 112 T 3.5013 8.3318 116.1369 65.7570 68.4369 175.6846 113 W 4.7539 7.9736 119.4564 56.5053 29.6491 174.8352 114 Q 4.5213 7.8354 122.3249 54.6667 28.1727 174.2533 115 N 4.8634 9.6087 122.6366 51.4669 41.7376 173.5892 116 I 4.8116 8.1938 122.3854 59.9292 39.3006 174.8647 117 F 5.3862 9.2703 126.0018 55.3663 42.6092 174.2511 118 L 4.6623 8.9538 125.7294 54.9053 43.4887 175.5550 119 V 4.6355 9.0305 127.3230 61.5129 33.0742 173.8534 120 E 4.7801 9.3541 130.8032 55.1589 30.6797 176.0498 121 L 4.7688 8.3469 124.8264 53.9013 43.5545 176.1206 122 D 4.5377 8.6311 119.9359 53.2286 40.9890 175.0355 123 G 4.4184 8.3665 106.2375 43.8353 0.0000 171.8737 124 P 4.9800 0.0000 0.0000 62.0799 32.4161 176.1803 125 R 4.7335 8.7889 120.7361 54.4795 33.4338 176.9360 126 S 4.1495 8.8998 117.7330 60.6981 63.5291 173.6069 127 E 4.6045 7.8180 120.7948 54.6536 31.6894 174.4651 128 R 4.4165 9.5003 127.5943 55.0337 31.9097 175.1291 129 H 5.2149 9.1328 123.9553 54.8145 31.8825 172.8764 130 I 4.8137 8.7251 127.9483 60.0590 39.3561 174.9472 131 T 4.8848 8.9223 124.2914 62.2632 70.5258 173.8277 132 V 4.8258 8.8797 126.4591 61.0632 34.2516 173.6326 133 E 4.8575 9.1677 128.9746 54.3301 32.4932 174.2730 134 I 4.9524 8.7257 127.8871 59.4381 40.0399 174.3152 135 L 4.9968 9.5386 128.5589 52.3338 45.3005 176.4117 136 G 3.7221 7.4010 112.6890 46.0147 0.0000 172.2649 137 E 4.2366 8.2728 118.7141 56.4424 29.6554 175.6180 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 M 8.30 4.70 0.00 2.04 2.14 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.59 0.00 2 K 9.20 4.58 0.00 1.66 1.68 0.00 1.60 0.00 0.00 1.61 0.00 0.00 2.83 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.44 7.81 3 V 8.61 4.81 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 0.48 0.00 0.00 0.92 0.00 0.00 4 Y 9.08 4.81 0.00 2.97 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 5 F 8.27 5.30 0.00 2.73 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 6 D 9.13 4.78 0.00 2.64 2.49 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 7 D 8.55 5.33 0.00 2.39 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 0.00 0.00 0.00 8 I 8.56 4.45 1.80 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.66 0.89 0.00 0.00 9 Y 8.57 5.26 0.00 2.83 2.82 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 10 V 8.87 4.58 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 1.03 0.00 0.00 0.96 0.00 0.00 11 S 8.85 5.28 0.00 3.92 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 12 T 9.08 4.71 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 1.27 0.00 0.00 13 A 9.10 4.48 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 14 R 7.65 4.74 0.00 1.87 1.83 0.00 3.14 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 15 Q 8.64 4.39 0.00 2.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.86 0.00 0.00 0.00 0.00 0.00 1.16 1.76 0.00 16 F 7.94 5.39 0.00 2.95 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 17 E 9.42 4.80 0.00 2.02 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 2.25 2.33 0.00 18 L 8.53 5.23 0.00 1.40 1.34 0.57 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 19 V 8.95 4.47 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 1.07 0.00 0.00 1.02 0.00 0.00 20 D 9.13 4.58 0.00 2.91 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 21 I 8.39 4.73 1.83 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 1.39 1.56 0.95 0.00 0.00 22 T 8.24 3.67 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 1.06 0.00 0.00 23 D 7.93 4.33 0.00 2.64 2.68 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 0.00 0.00 0.00 24 Q 7.93 3.96 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.91 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 25 V 7.84 3.56 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 0.97 0.00 0.00 0.87 0.00 0.00 26 E 8.40 3.85 0.00 2.15 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 2.38 0.00 27 Q 8.35 3.92 0.00 2.16 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 28 I 7.77 3.83 2.05 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.70 1.10 0.00 0.00 29 V 7.78 3.51 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.95 0.00 0.00 30 E 8.22 4.00 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 31 K 8.14 3.93 0.00 1.82 1.81 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.62 7.81 32 S 7.39 2.79 0.00 3.72 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 33 G 7.54 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 0.00 0.00 0.00 34 I 7.38 3.96 1.80 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.50 0.94 0.00 0.00 35 K 8.51 4.33 0.00 1.98 1.81 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.46 1.01 7.81 36 N 8.83 5.44 0.00 2.64 2.65 0.00 0.00 6.76 7.25 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 37 G 7.82 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 0.00 0.00 0.00 0.00 38 I 8.12 5.12 1.89 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 1.10 0.90 0.92 0.00 0.00 39 C 9.14 5.18 0.00 2.98 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 40 L 9.06 5.00 0.00 1.81 1.66 1.03 0.70 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 41 I 8.86 4.99 1.98 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.82 0.94 0.00 0.00 42 F 9.40 5.40 0.00 3.14 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 43 V 7.97 4.46 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.99 0.00 0.00 44 A 7.54 4.33 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 45 H 7.19 4.87 0.00 3.06 3.12 0.00 5.69 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 S 8.68 4.60 0.00 4.05 4.12 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 47 T 7.72 4.63 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 0.87 0.00 0.00 48 A 7.92 4.93 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 49 A 8.89 4.76 1.29 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 0.00 0.00 0.00 50 I 8.26 5.07 1.92 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.00 1.01 0.00 0.00 51 V 8.95 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 0.76 0.00 0.00 1.05 0.00 0.00 52 A 8.33 5.36 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 N 9.06 4.69 0.00 2.84 2.76 0.00 0.00 6.45 7.25 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 54 E 8.98 4.95 0.00 2.26 1.94 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 2.47 2.50 0.00 55 H 9.18 4.82 0.00 3.38 3.36 0.00 5.74 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 E 8.12 4.76 0.00 2.20 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 57 R 8.84 4.00 0.00 2.09 2.22 0.00 3.06 0.00 0.00 3.36 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 58 G 8.34 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.43 4.15 0.00 1.79 1.80 0.88 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 60 M 8.24 3.87 0.00 1.91 2.16 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.08 0.00 61 E 8.07 3.91 0.00 2.20 1.96 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 2.31 2.50 0.00 62 D 8.22 4.33 0.00 2.80 2.68 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 0.00 0.00 0.00 63 I 8.07 3.72 1.88 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 1.46 0.74 0.84 0.00 0.00 64 L 7.71 3.95 0.00 1.80 1.65 0.95 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 65 T 8.14 3.71 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 66 K 8.36 3.87 0.00 1.76 1.89 0.00 1.50 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.45 7.81 67 I 7.89 3.73 1.98 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.64 1.01 0.00 0.00 68 K 8.03 3.69 0.00 1.67 1.58 0.00 1.27 0.00 0.00 0.70 0.00 0.00 2.37 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.30 0.93 7.81 69 E 8.00 3.94 0.00 2.08 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 2.32 2.43 0.00 70 F 8.35 4.39 0.00 2.89 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 71 T 8.21 4.03 4.34 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 1.37 0.00 0.00 72 E 8.51 3.78 0.00 2.49 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 2.24 2.33 0.00 73 P 0.00 4.24 0.00 2.05 2.00 0.00 3.66 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.17 0.00 74 S 7.90 4.45 0.00 3.96 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 75 R 7.63 3.89 0.00 1.44 1.44 0.00 2.76 0.00 0.00 2.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.92 0.00 76 S 7.88 4.49 0.00 3.79 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 77 W 7.47 4.55 0.00 3.46 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 78 K 9.05 4.09 0.00 1.91 1.93 0.00 1.75 0.00 0.00 1.80 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.59 1.61 7.81 79 H 8.40 4.32 0.00 3.23 3.35 0.00 5.86 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 N 8.02 5.23 0.00 3.00 2.93 0.00 0.00 6.97 7.14 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 81 L 7.63 4.11 0.00 1.65 1.75 0.94 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 82 I 7.49 4.07 1.84 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.49 0.89 0.00 0.00 83 D 6.94 4.78 0.00 2.61 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 D 8.56 4.88 0.00 2.90 2.78 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 85 N 8.02 4.85 0.00 2.79 3.05 0.00 0.00 5.96 8.04 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 86 A 8.96 4.01 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 H 8.37 4.12 0.00 3.52 3.89 0.00 5.47 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 A 7.48 4.01 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 89 H 7.91 4.35 0.00 3.24 3.26 0.00 5.90 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 L 8.05 4.08 0.00 1.70 1.53 -0.32 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 91 G 8.41 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 0.00 0.00 0.00 92 A 8.19 4.06 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 T 8.03 3.81 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 94 F 8.28 4.06 0.00 3.28 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 95 L 8.30 4.21 0.00 1.71 1.78 0.98 1.03 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 96 G 8.24 3.96 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 0.00 0.00 0.00 97 A 8.41 4.51 1.06 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 98 E 7.97 5.35 0.00 2.27 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.40 0.00 99 R 9.05 4.84 0.00 1.96 1.87 0.00 3.19 0.00 0.00 3.11 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.81 0.00 100 V 8.30 4.93 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.97 0.00 0.00 101 F 9.36 4.88 0.00 2.98 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 P 0.00 4.80 0.00 2.11 1.98 0.00 3.84 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.08 0.00 103 V 8.63 4.83 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 1.00 0.00 0.00 0.94 0.00 0.00 104 R 8.99 4.81 0.00 1.86 1.70 0.00 3.30 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 105 E 10.06 3.76 0.00 2.12 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.37 0.00 106 G 8.62 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 0.00 0.00 0.00 107 K 7.65 4.55 0.00 1.90 1.64 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.47 7.81 108 L 8.37 4.26 0.00 1.56 1.50 0.90 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 109 V 8.76 4.19 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.95 0.00 0.00 110 R 8.35 4.89 0.00 2.09 2.08 0.00 3.21 0.00 0.00 2.98 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.61 0.00 111 G 9.71 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 0.00 0.00 0.00 112 T 8.33 3.50 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 113 W 7.97 4.75 0.00 3.57 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 0.00 114 Q 7.84 4.52 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.18 6.75 0.00 0.00 0.00 0.00 0.00 2.50 2.45 0.00 115 N 9.61 4.86 0.00 2.78 2.31 0.00 0.00 6.83 7.59 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 0.00 116 I 8.19 4.81 1.66 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.55 0.89 0.00 0.00 117 F 9.27 5.39 0.00 2.92 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 0.00 118 L 8.95 4.66 0.00 1.81 1.60 0.98 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 119 V 9.03 4.64 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.99 0.00 0.00 120 E 9.35 4.78 0.00 2.08 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.43 0.00 121 L 8.35 4.77 0.00 1.70 1.78 1.03 1.14 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 0.00 122 D 8.63 4.54 0.00 2.43 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 G 8.37 4.42 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 P 0.00 4.98 0.00 2.07 2.14 0.00 3.28 0.00 0.00 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.82 0.00 125 R 8.79 4.73 0.00 1.66 1.77 0.00 3.24 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.75 0.00 126 S 8.90 4.15 0.00 3.97 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 0.00 127 E 7.82 4.60 0.00 1.93 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 2.38 2.39 0.00 128 R 9.50 4.42 0.00 1.74 1.80 0.00 2.96 0.00 0.00 2.93 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.66 0.00 129 H 9.13 5.21 0.00 3.44 3.28 0.00 5.66 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 I 8.73 4.81 1.93 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 1.21 0.58 0.97 0.00 0.00 131 T 8.92 4.88 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 1.37 0.00 0.00 132 V 8.88 4.83 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 1.06 0.00 0.00 0.94 0.00 0.00 133 E 9.17 4.86 0.00 1.89 1.65 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 1.84 1.47 0.00 134 I 8.73 4.95 1.92 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 1.11 0.50 0.88 0.00 0.00 135 L 9.54 5.00 0.00 1.58 1.41 0.89 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 136 G 7.40 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 0.00 0.00 0.00 137 E 8.27 4.24 0.00 2.07 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.19 0.00