NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1C H 4.8195 8.4449 117.8411 56.2503 29.9842 172.9519 1D H 4.4606 8.8015 119.9037 55.9485 29.5032 173.0342 1E H 5.0734 7.5459 115.3616 53.6326 33.5837 171.9146 1F H 4.6386 8.8886 116.9672 55.9291 28.9788 174.3470 1G F 4.9124 8.4044 119.4061 57.8682 39.8706 174.0889 2 N 4.6299 8.5251 117.2516 52.3447 39.0596 174.5833 3 L 4.7024 8.0791 123.4284 52.2505 43.7452 174.6325 4 P 4.5230 0.0000 0.0000 61.3702 32.4361 173.9819 5 P 4.3962 0.0000 0.0000 62.1724 32.7286 176.2610 6 G 3.9877 9.0601 103.3655 45.5857 0.0000 172.0040 7 N 4.3607 7.7373 114.1590 51.7779 39.6008 174.4609 8 Y 4.8258 8.1475 118.4778 58.3031 38.7094 176.7194 9 K 4.1383 8.5101 122.2932 58.6940 32.2347 177.1197 10 K 4.7352 7.5790 115.3276 53.2991 35.8184 173.6873 11 P 4.7482 0.0000 0.0000 63.0918 32.3643 175.2363 12 K 4.9088 9.3981 119.0848 55.0275 37.4335 175.0063 13 L 5.0028 9.0129 121.6911 53.3769 44.1961 176.1661 14 L 5.0014 8.6231 123.7388 53.6207 42.7896 174.3538 15 Y 4.8058 9.2238 126.7589 56.8551 40.4303 173.5283 16 C 4.1738 8.4123 128.1982 57.8013 32.4148 174.1180 17 S 3.9661 8.0574 121.6105 60.7217 61.9615 175.1066 18 N 4.2301 7.9794 117.6341 56.4967 38.8201 175.5890 19 G 3.8534 7.7204 102.5823 44.6665 0.0000 173.5164 20 G 3.3445 7.9130 107.8096 45.5109 0.0000 173.4049 21 H 4.5512 7.3405 116.1522 54.9395 30.7933 174.0803 22 F 5.3364 8.9925 120.1347 55.8278 40.6893 175.3239 23 L 4.5952 8.9794 125.8386 55.4151 43.3374 175.5871 24 R 4.9772 9.4082 126.2426 54.6468 33.3701 173.8526 25 I 4.6495 8.1963 127.3520 59.5420 38.2001 175.5741 26 N 4.4626 8.9353 125.5512 52.0347 39.1895 174.9385 27 P 4.1589 0.0000 0.0000 65.8609 31.4365 177.2251 28 D 4.5086 7.9630 114.3711 53.6624 39.6878 177.0477 29 G 4.1954 8.5857 110.3680 45.2820 0.0000 173.9492 30 T 4.5443 8.0971 110.2308 60.9602 69.9270 173.8371 31 V 4.8711 7.9765 121.4014 61.2949 34.9718 174.5605 32 D 4.5320 8.6629 125.7767 52.9403 42.7997 174.0391 33 G 4.5598 8.5842 104.6394 45.4845 0.0000 172.1271 34 T 5.0006 8.8425 114.3446 60.6779 71.0806 174.5983 35 R 4.2888 8.8102 124.3167 56.5185 30.9527 176.4257 36 D 4.6439 8.2104 119.3713 53.3056 40.1117 176.8345 37 R 3.6711 8.6362 126.8762 58.5249 30.2157 178.1146 38 S 4.3876 8.0801 110.7818 58.3559 63.5911 174.0987 39 D 4.4095 7.7881 121.8448 54.8877 41.3156 175.8387 40 Q 4.3554 8.5183 123.2221 56.7749 29.4498 175.8574 41 H 4.8841 9.2521 115.9138 55.4491 29.1165 175.2980 42 I 4.5710 7.0768 110.0445 59.9300 38.5684 175.4092 43 Q 4.2489 7.8226 122.0123 55.6783 29.7448 174.7326 44 L 5.2211 8.9987 124.5589 52.7989 45.6069 175.2733 45 Q 4.7879 9.2456 124.5109 54.5207 30.8215 174.3528 46 L 5.3030 8.6307 126.4086 53.6253 44.0297 175.9779 47 S 4.4020 8.5237 114.7371 56.7210 66.9673 172.4590 48 A 4.6050 7.9103 123.3757 50.8890 19.3008 176.9667 49 E 4.0629 8.8288 123.1895 58.3421 30.3849 176.7497 50 S 4.6060 7.3457 112.2159 56.5070 67.1445 173.2977 51 V 3.7640 8.2793 122.0366 64.6359 31.6190 176.3998 52 G 3.9625 9.2150 114.7376 45.3612 0.0000 171.7318 53 E 5.2678 8.3960 120.0269 54.5426 32.3778 175.6571 54 V 4.8956 9.1509 116.8891 59.8883 36.6544 174.0910 55 Y 5.6041 8.5559 119.4732 56.7534 41.0875 175.2766 56 I 4.5340 8.4910 121.7036 59.5972 40.6952 174.1698 57 K 4.7900 8.7597 128.8679 54.0459 35.5044 175.0836 58 S 4.6338 8.9186 122.6334 58.5940 62.7324 174.9925 59 T 3.9293 8.5397 117.9996 64.3270 68.8200 175.8707 60 E 4.0748 8.3344 122.7587 58.2445 29.8683 176.9243 61 T 4.3976 7.9301 105.7732 60.4713 70.2366 175.1066 62 G 3.8533 8.2331 110.1315 45.2945 0.0000 173.8346 63 Q 4.4251 7.5458 119.5120 56.1500 30.2036 174.7025 64 Y 4.7007 9.0026 120.7333 56.1915 40.1318 175.0763 65 L 4.4787 8.9681 126.5522 55.3791 43.4652 175.5498 66 A 5.0558 8.7085 125.8875 50.7783 23.2084 174.3516 67 M 5.3572 8.6205 119.8155 53.7955 34.5648 175.8102 68 D 5.2600 9.3955 126.5720 52.6245 41.0308 176.9513 69 T 4.0112 8.5673 112.8562 64.7249 67.2808 174.0910 70 D 4.8031 8.5509 118.9810 53.9815 41.2712 176.9496 71 G 3.3199 8.6222 107.8817 45.0912 0.0000 172.9398 72 L 4.8252 8.2742 120.4555 53.1036 43.4049 176.2569 73 L 4.9611 8.5548 123.7347 55.1760 42.6727 175.6478 74 Y 5.0026 9.1412 120.3664 55.8931 42.2694 173.5349 75 G 4.3361 8.9723 108.1417 44.9406 0.0000 173.1614 76 S 5.1013 9.0185 120.9807 56.7592 64.0269 175.3161 77 Q 4.2897 9.0246 125.5848 58.1236 28.9781 176.3360 78 T 4.6280 7.4504 106.0726 58.4568 71.8161 171.5764 79 P 3.4482 0.0000 0.0000 62.2743 32.0236 175.2354 80 N 4.9608 7.9310 117.9891 51.2780 40.5052 174.5693 81 E 3.9729 8.6591 116.0797 59.3791 29.7611 178.6634 82 E 4.0815 8.6988 117.3117 57.6151 29.6902 177.4919 83 C 4.9314 7.7665 115.2554 58.9753 29.1449 173.3883 84 L 4.7512 7.1503 121.1044 53.7169 42.9611 175.8105 85 F 5.2167 8.9858 121.3574 55.6012 43.4790 174.2739 86 L 4.8781 9.2059 123.0861 53.8901 42.6339 175.4559 87 E 4.5658 8.8335 126.7437 55.2648 30.2382 175.6730 88 R 4.8249 8.6535 125.3619 54.0424 34.9042 174.5042 89 L 4.7142 8.6700 123.5959 55.1940 43.1066 175.8137 90 E 4.7148 9.1681 125.0833 55.2203 33.6313 174.8781 91 E 3.9993 9.7217 123.6140 57.8762 27.3055 174.1096 92 N 4.2987 8.4057 110.3523 54.0869 36.5940 173.9565 93 H 4.7341 8.1975 117.2747 57.3057 37.2667 173.3129 94 Y 4.6958 8.0287 116.7843 57.3731 39.9823 173.9656 95 N 5.5693 9.5224 118.6084 51.9782 41.1431 174.5297 96 T 5.2553 8.7304 112.5367 60.1630 72.9662 172.6576 97 Y 5.0244 8.6255 118.9863 56.6642 41.6539 174.1612 98 I 4.6016 8.5829 125.9935 59.1573 39.6300 175.4667 99 S 4.0098 8.9089 122.2296 58.5207 62.4060 174.0060 100 K 3.9813 8.7822 129.5185 59.3241 32.2767 178.7048 101 K 3.8108 7.9336 118.4447 58.9786 32.3480 176.6698 102 H 4.8242 8.1649 114.4749 54.1631 29.4549 176.0375 103 A 3.9703 7.6624 125.9244 55.1942 18.3782 180.8076 104 E 3.6588 7.8858 113.0911 58.4288 29.8077 178.1860 105 K 4.2034 7.5396 117.1999 55.4712 32.8451 175.7559 106 N 3.9795 7.5470 115.6892 54.0015 36.4320 174.6200 107 W 5.1968 7.6940 117.5443 55.7413 31.1263 177.3171 108 F 5.4871 9.2748 123.9020 55.4495 41.3643 175.5601 109 V 3.9895 8.9799 121.6529 63.0453 32.4650 175.2308 110 G 4.3760 8.6088 112.7178 45.2607 0.0000 171.4640 111 L 5.2599 8.5241 121.3666 52.5100 45.3421 177.0909 112 K 4.1402 8.9821 123.0896 55.3816 32.9741 178.4023 113 K 3.9584 8.4185 119.6614 59.2741 31.9690 177.8962 114 N 4.5780 8.0727 114.0902 52.6561 37.6971 175.9122 115 G 3.5291 8.1564 108.6325 45.0774 0.0000 173.4020 116 S 4.9056 7.9263 114.8829 57.2811 65.1010 173.7675 117 C 4.8169 8.4711 119.0824 59.7222 28.8771 173.4476 118 K 4.3403 8.5925 121.6394 55.6435 33.0212 176.9476 119 R 4.1594 8.4643 123.3764 55.4328 31.3132 177.1525 120 G 3.2770 8.4768 115.3149 48.2126 0.0000 174.1450 121 P 4.2904 0.0000 0.0000 64.4877 31.3613 177.4546 122 R 4.2991 7.8670 115.8299 56.4524 30.3945 176.3459 123 T 5.1000 7.5499 108.2451 60.0119 70.7440 173.3597 124 H 4.7785 7.8397 115.3259 54.9320 30.6034 172.9972 125 Y 3.9544 8.7465 118.2908 59.8941 38.0931 177.1167 126 G 4.0600 9.0088 111.4890 45.4817 0.0000 174.0212 127 Q 4.1920 7.3909 118.7867 55.3606 29.7599 177.1628 128 K 3.8589 8.2857 118.7896 58.5520 32.8427 179.4738 129 A 3.9943 7.9902 121.2144 53.9034 18.3875 178.4820 130 I 4.4260 7.1597 106.1412 60.4863 38.6284 175.2812 131 L 4.3877 7.2428 123.0279 53.9287 42.7313 175.7948 132 F 5.4763 9.4522 122.4170 55.6024 43.4839 174.1600 133 L 5.3036 9.3479 121.1155 52.3472 44.9361 174.0973 134 P 5.1022 0.0000 0.0000 62.7201 31.9201 175.5898 135 L 4.8327 9.1418 125.4975 52.1355 44.3037 174.8209 136 P 4.6488 0.0000 0.0000 62.5106 32.3712 177.0617 137 V 3.7506 8.1613 114.2554 61.7998 31.6139 176.3598 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 1C H 8.44 4.82 0.00 3.10 3.42 0.00 5.67 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1D H 8.80 4.46 0.00 3.20 3.20 0.00 5.64 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1E H 7.55 5.07 0.00 3.15 3.31 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 8.89 4.64 0.00 3.33 3.41 0.00 5.66 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1G F 8.40 4.91 0.00 2.89 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 2 N 8.53 4.63 0.00 2.95 2.78 0.00 0.00 6.90 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 8.08 4.70 0.00 1.48 1.42 0.59 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.52 0.00 2.18 2.08 0.00 3.69 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.90 0.00 5 P 0.00 4.40 0.00 2.16 2.09 0.00 3.73 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 1.93 1.93 0.00 6 G 9.06 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 0.00 0.00 0.00 7 N 7.74 4.36 0.00 2.62 2.65 0.00 0.00 5.86 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 8.15 4.83 0.00 3.03 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 8.51 4.14 0.00 1.88 1.89 0.00 1.64 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.54 7.81 10 K 7.58 4.74 0.00 1.69 1.67 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.39 7.81 11 P 0.00 4.75 0.00 2.05 2.04 0.00 3.71 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 1.97 1.98 0.00 12 K 9.40 4.91 0.00 1.62 1.82 0.00 1.69 0.00 0.00 1.79 0.00 0.00 2.82 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.60 7.81 13 L 9.01 5.00 0.00 1.66 1.59 0.48 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.62 5.00 0.00 1.55 1.53 0.32 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 9.22 4.81 0.00 3.31 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 16 C 8.41 4.17 0.00 2.49 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 17 S 8.06 3.97 0.00 4.05 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 18 N 7.98 4.23 0.00 2.54 2.57 0.00 0.00 6.75 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 7.72 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 0.00 0.00 0.00 20 G 7.91 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 0.00 0.00 0.00 21 H 7.34 4.55 0.00 3.04 3.27 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 F 8.99 5.34 0.00 3.10 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 23 L 8.98 4.60 0.00 1.81 1.51 0.95 0.24 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 9.41 4.98 0.00 1.90 2.03 0.00 3.20 0.00 0.00 3.36 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 25 I 8.20 4.65 1.84 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.70 0.89 0.00 0.00 26 N 8.94 4.46 0.00 2.95 2.68 0.00 0.00 6.69 7.70 0.00 0.00 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 P 0.00 4.16 0.00 1.99 2.11 0.00 3.49 0.00 0.00 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.95 0.00 28 D 7.96 4.51 0.00 2.77 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 8.59 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 0.00 0.00 0.00 0.00 30 T 8.10 4.54 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 1.32 0.00 0.00 31 V 7.98 4.87 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 0.91 0.00 0.00 0.92 0.00 0.00 32 D 8.66 4.53 0.00 2.88 2.71 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 8.58 4.56 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 34 T 8.84 5.00 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 8.81 4.29 0.00 1.86 1.97 0.00 3.19 0.00 0.00 3.06 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.42 0.00 36 D 8.21 4.64 0.00 2.84 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 8.64 3.67 0.00 1.86 1.90 0.00 3.32 0.00 0.00 3.30 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.83 0.00 38 S 8.08 4.39 0.00 3.98 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 39 D 7.79 4.41 0.00 2.79 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 8.52 4.36 0.00 1.87 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.12 0.00 0.00 0.00 0.00 0.00 2.27 2.25 0.00 41 H 9.25 4.88 0.00 3.30 3.47 0.00 5.77 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.08 4.57 1.87 0.00 0.00 0.48 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 0.90 1.04 0.00 0.00 43 Q 7.82 4.25 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.89 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 44 L 9.00 5.22 0.00 1.47 1.42 0.80 0.66 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 45 Q 9.25 4.79 0.00 2.08 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.76 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 46 L 8.63 5.30 0.00 1.82 1.69 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.52 4.40 0.00 3.82 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 A 7.91 4.61 1.05 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 0.00 0.00 49 E 8.83 4.06 0.00 1.64 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 1.48 1.47 0.00 50 S 7.35 4.61 0.00 3.98 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 51 V 8.28 3.76 2.30 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 0.93 0.00 0.00 1.02 0.00 0.00 52 G 9.21 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 53 E 8.40 5.27 0.00 2.02 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 2.23 2.29 0.00 54 V 9.15 4.90 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 0.84 0.00 0.00 1.27 0.00 0.00 55 Y 8.56 5.60 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 56 I 8.49 4.53 1.72 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.67 0.66 0.00 0.00 57 K 8.76 4.79 0.00 1.28 1.35 0.00 1.36 0.00 0.00 1.31 0.00 0.00 2.13 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.99 0.63 7.81 58 S 8.92 4.63 0.00 3.85 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 59 T 8.54 3.93 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 1.21 0.00 0.00 60 E 8.33 4.07 0.00 1.96 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 2.15 2.34 0.00 61 T 7.93 4.40 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 1.26 0.00 0.00 62 G 8.23 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 0.00 0.00 0.00 63 Q 7.55 4.43 0.00 1.96 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 6.76 0.00 0.00 0.00 0.00 0.00 2.41 2.35 0.00 64 Y 9.00 4.70 0.00 2.78 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 65 L 8.97 4.48 0.00 1.60 1.48 0.80 0.04 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 66 A 8.71 5.06 0.44 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 67 M 8.62 5.36 0.00 2.26 2.26 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.72 0.00 68 D 9.40 5.26 0.00 2.94 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 69 T 8.57 4.01 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 1.27 0.00 0.00 70 D 8.55 4.80 0.00 2.69 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 71 G 8.62 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 0.00 0.00 0.00 72 L 8.27 4.83 0.00 1.85 1.63 0.91 0.85 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 73 L 8.55 4.96 0.00 1.57 1.62 0.91 0.95 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 74 Y 9.14 5.00 0.00 2.95 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 8.97 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 0.00 0.00 0.00 0.00 76 S 9.02 5.10 0.00 3.78 3.69 0.00 0.00 0.00 0.00 0.00 0.00 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 9.02 4.29 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.55 0.00 0.00 0.00 0.00 0.00 2.42 2.33 0.00 78 T 7.45 4.63 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 79 P 0.00 3.45 0.00 1.58 0.49 0.00 3.45 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.59 0.00 80 N 7.93 4.96 0.00 2.89 2.89 0.00 0.00 6.28 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 8.66 3.97 0.00 2.03 2.00 0.00 0.00 0.00 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 2.32 0.00 82 E 8.70 4.08 0.00 2.27 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 0.00 2.40 2.35 0.00 83 C 7.77 4.93 0.00 3.11 3.09 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 84 L 7.15 4.75 0.00 1.59 1.46 0.84 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 85 F 8.99 5.22 0.00 3.13 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 L 9.21 4.88 0.00 1.53 1.62 0.90 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 87 E 8.83 4.57 0.00 2.18 1.93 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 2.18 1.94 0.00 88 R 8.65 4.82 0.00 1.77 1.90 0.00 3.14 0.00 0.00 2.90 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.63 0.00 89 L 8.67 4.71 0.00 1.74 1.60 0.93 1.10 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 90 E 9.17 4.71 0.00 2.21 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.44 0.00 91 E 9.72 4.00 0.00 2.43 2.15 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 2.30 2.40 0.00 92 N 8.41 4.30 0.00 2.84 2.88 0.00 0.00 6.89 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 8.20 4.73 0.00 2.85 2.91 0.00 5.91 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 8.03 4.70 0.00 3.07 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 95 N 9.52 5.57 0.00 2.87 2.54 0.00 0.00 6.93 7.07 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 96 T 8.73 5.26 4.56 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 1.39 0.00 0.00 97 Y 8.63 5.02 0.00 2.80 2.79 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 98 I 8.58 4.60 1.67 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.35 0.61 0.00 0.00 99 S 8.91 4.01 0.00 4.07 4.07 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 0.00 100 K 8.78 3.98 0.00 1.73 1.71 0.00 1.73 0.00 0.00 1.50 0.00 0.00 2.81 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.33 7.81 101 K 7.93 3.81 0.00 1.74 1.67 0.00 1.51 0.00 0.00 1.60 0.00 0.00 3.00 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.25 1.00 7.81 102 H 8.16 4.82 0.00 3.04 2.18 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 7.66 3.97 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 0.00 104 E 7.89 3.66 0.00 1.83 1.73 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 2.18 2.12 0.00 105 K 7.54 4.20 0.00 0.93 1.52 0.00 1.42 0.00 0.00 1.47 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.19 0.97 7.81 106 N 7.55 3.98 0.00 3.05 3.08 0.00 0.00 6.88 7.75 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 0.00 107 W 7.69 5.20 0.00 3.30 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 9.27 5.49 0.00 2.84 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 0.00 109 V 8.98 3.99 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.53 0.00 0.00 110 G 8.61 4.38 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 0.00 111 L 8.52 5.26 0.00 1.45 1.44 1.03 0.82 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 0.00 112 K 8.98 4.14 0.00 1.94 1.67 0.00 1.62 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.42 7.81 113 K 8.42 3.96 0.00 1.70 1.84 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.42 7.81 114 N 8.07 4.58 0.00 2.78 2.88 0.00 0.00 6.22 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 8.16 3.53 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 0.00 0.00 0.00 0.00 116 S 7.93 4.91 0.00 3.89 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 0.00 117 C 8.47 4.82 0.00 2.88 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 0.00 118 K 8.59 4.34 0.00 1.61 1.68 0.00 1.61 0.00 0.00 1.56 0.00 0.00 3.01 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.33 7.81 119 R 8.46 4.16 0.00 1.73 1.62 0.00 3.20 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.45 0.00 120 G 8.48 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 0.00 0.00 0.00 121 P 0.00 4.29 0.00 1.92 2.19 0.00 2.95 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 1.75 1.88 0.00 122 R 7.87 4.30 0.00 1.80 1.92 0.00 3.30 0.00 0.00 3.25 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.65 0.00 123 T 7.55 5.10 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 1.27 0.00 0.00 124 H 7.84 4.78 0.00 3.39 3.52 0.00 5.47 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 Y 8.75 3.95 0.00 3.16 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 0.00 126 G 9.01 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 0.00 127 Q 7.39 4.19 0.00 1.82 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.75 0.00 0.00 0.00 0.00 0.00 2.18 2.06 0.00 128 K 8.29 3.86 0.00 1.73 1.65 0.00 1.53 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.27 7.81 129 A 7.99 3.99 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 0.00 130 I 7.16 4.43 1.63 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.10 0.50 0.00 0.00 131 L 7.24 4.39 0.00 0.99 0.57 0.35 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 132 F 9.45 5.48 0.00 3.39 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 0.00 133 L 9.35 5.30 0.00 1.83 1.66 1.11 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 5.10 0.00 2.15 2.22 0.00 3.84 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.07 0.00 135 L 9.14 4.83 0.00 1.67 1.64 0.93 0.94 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 0.00 136 P 0.00 4.65 0.00 1.92 1.97 0.00 3.67 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.12 0.00 137 V 8.16 3.75 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 0.65 0.00 0.00 0.91 0.00 0.00