NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3515 8.3049 120.3524 55.4202 32.8094 174.9330 2 K 4.2949 8.4945 118.7990 52.7985 33.5134 174.5907 3 T 4.2073 8.4613 114.7345 60.7380 70.6714 173.5074 4 F 4.1913 8.1960 124.3877 58.2798 40.4647 173.7865 5 T 3.4089 5.7900 109.9950 60.7240 69.3762 172.6534 6 A 4.0366 8.7727 132.5334 51.9024 17.6685 176.7889 7 K 3.9788 8.3665 120.7679 56.9105 32.8229 176.8428 8 P 4.4743 0.0000 0.0000 65.6401 31.9043 177.5285 9 E 4.0028 8.2464 118.8501 58.9220 29.7064 176.8066 10 T 4.3623 7.0760 118.0108 62.2396 67.3145 173.9461 11 V 4.6404 7.7694 119.5439 59.4745 34.9603 173.4407 12 K 4.1988 7.9988 115.9899 53.3455 35.0519 174.1790 13 R 3.6623 8.1790 132.6478 56.9605 28.8825 175.0512 14 D 5.2636 8.3457 124.0385 52.2412 44.7238 174.9784 15 W 5.9132 8.1507 117.1140 54.7539 32.7359 174.5866 16 Y 5.4098 8.7049 120.0892 56.3796 42.6266 174.0640 17 V 5.0533 8.5391 120.3385 61.3099 35.1515 174.9609 18 V 4.5574 8.5701 126.0789 60.3332 34.5021 173.5331 19 D 4.6736 8.9829 126.3086 53.1359 41.1083 176.9151 20 A 4.5825 8.1350 134.5699 51.4573 17.8484 176.0882 21 T 4.4788 6.5386 121.6521 64.6569 70.1130 178.4843 22 G 3.5776 7.9611 111.9514 48.0429 0.0000 174.0196 23 K 3.8455 8.0493 118.2864 57.2383 32.3997 177.2939 24 T 4.1741 8.4366 117.9630 62.9632 68.9640 171.8954 25 L 3.6574 8.4085 128.9927 55.1186 43.3938 174.3498 26 G 4.3171 8.6684 116.2732 47.0566 0.0000 175.7487 27 R 4.2290 7.6990 116.3708 57.9888 30.5837 177.5371 28 L 4.1376 7.9778 120.7400 56.5435 42.1470 178.0384 29 A 3.8808 7.8131 119.8117 55.5848 18.5785 179.4282 30 T 3.8370 7.5177 110.3575 65.4045 67.6618 175.8211 31 E 4.0821 8.3511 120.0033 58.0161 29.3607 178.2130 32 L 4.0073 7.7421 118.7863 57.7057 42.1359 178.3753 33 A 3.9392 8.7229 121.4061 55.5268 18.3226 179.7912 34 R 3.8201 8.0777 116.1673 59.7223 30.1763 179.4323 35 R 4.4466 7.4428 116.2242 58.4620 29.9793 178.9603 36 L 3.9396 8.8102 119.3036 56.8740 41.6482 178.2923 37 R 4.2977 7.6803 115.9261 55.3141 30.4604 176.2712 38 G 3.6961 7.6718 105.8629 47.2741 0.0000 175.2394 39 K 4.3926 8.5329 117.0449 56.9273 31.4523 176.6325 40 H 4.9668 8.1569 110.1849 54.7296 29.4282 173.5996 41 K 4.7719 7.5601 119.9220 55.6438 34.9582 175.9678 42 A 4.3355 8.2765 118.8498 52.7210 16.7586 178.5199 43 E 4.0239 7.8959 117.2753 56.4181 30.1633 174.7548 44 Y 3.9171 8.0301 120.1027 60.9086 38.9029 175.8934 45 T 4.2175 8.1253 135.0000 61.2424 68.7358 171.5522 46 P 4.1523 0.0000 0.0000 65.6552 32.0708 178.0414 47 H 4.4764 7.2737 114.7062 57.2313 29.0296 175.5682 48 V 4.4397 8.2135 117.6867 60.5964 34.0518 174.1005 49 D 4.6640 8.4949 123.5889 52.5960 40.0469 176.2405 50 T 4.4441 8.3545 113.2181 60.9866 69.2283 174.5699 51 G 3.7191 7.6019 108.7223 46.6248 0.0000 173.4997 52 D 4.7317 8.4144 121.3169 53.4747 42.5334 176.0708 53 Y 3.8977 8.1024 120.0565 57.9857 38.4800 174.6456 54 I 5.0931 8.4321 125.3530 58.8626 41.6805 173.9806 55 I 5.1550 8.3940 122.0597 58.2043 40.1360 176.2152 56 V 3.9043 8.3774 120.1109 61.1259 32.5728 173.9157 57 L 4.6096 8.5493 121.0761 55.9201 45.3437 176.3069 58 N 5.0641 7.7160 116.2551 52.2582 38.3855 176.0602 59 A 4.0234 8.0041 126.1160 55.3632 19.2865 179.7255 60 D 4.3895 8.2158 113.5675 56.1063 38.8524 177.6352 61 K 4.6051 7.9474 117.6575 55.7310 32.5410 176.0718 62 V 4.2916 8.0336 117.9920 60.4981 31.9526 175.2236 63 A 4.6169 8.2081 125.8763 50.6226 19.9132 178.5257 64 V 3.3496 8.3286 123.5350 64.1109 31.7845 174.4693 65 T 3.1191 7.5705 120.1648 61.4849 64.4765 171.9630 66 G 3.8201 7.2634 110.3739 46.0415 0.0000 169.7094 67 N 4.7313 8.4474 122.2123 53.7958 38.7728 176.2409 68 K 4.4738 7.6783 113.4219 56.0292 32.5579 177.6862 69 R 3.5912 7.7643 121.3949 59.2095 30.1464 177.8536 70 T 4.9134 7.4657 103.6613 62.0494 70.4518 173.4132 71 D 4.9252 7.7489 120.4177 54.4048 42.4846 176.3589 72 K 4.3798 8.1184 120.3241 56.0357 32.6375 174.7587 73 V 3.8318 7.5210 107.7246 61.9657 34.5690 174.5271 74 Y 3.7552 7.0278 115.6547 59.3023 34.8804 169.7644 75 Y 5.1920 7.5587 117.3785 57.3717 40.5518 175.1691 76 H 4.9860 8.7333 115.8313 54.9716 32.6695 172.1555 77 H 5.6970 8.9903 119.1130 53.4962 30.9024 172.5448 78 T 3.9380 8.8359 117.1074 65.3278 68.7098 173.8821 79 G 3.4276 7.5110 109.4964 44.8583 0.0000 172.2427 80 H 4.8513 8.1672 116.9277 55.1325 34.3135 175.8362 81 I 3.2483 7.5826 116.0838 60.1661 39.0390 176.4360 82 G 3.8804 9.3156 117.0885 49.6718 0.0000 173.2869 83 G 3.4666 7.9987 112.3654 45.6793 0.0000 173.4056 84 I 4.3084 7.2850 128.3711 60.4733 37.6081 174.2300 85 K 4.5674 9.1536 129.5729 54.9265 34.1680 176.0311 86 Q 4.7366 8.6264 124.3793 53.9703 31.9164 174.6639 87 A 5.2204 7.1522 127.8184 52.0155 22.4918 176.6696 88 T 4.1386 7.8767 115.4740 62.2821 68.6101 175.1611 89 F 3.8953 9.2690 127.7718 61.8378 38.9737 176.9362 90 E 4.0308 7.9036 116.0372 59.7954 29.4868 178.4398 91 E 4.1394 8.0120 117.4824 59.1332 29.2679 178.7666 92 M 3.9263 8.1665 119.1912 57.9309 31.5892 178.7610 93 I 3.6122 7.1848 119.5011 63.4405 38.5299 177.1723 94 A 4.2730 7.1184 123.1293 50.3627 16.5532 175.7074 95 R 4.4356 8.7267 114.0777 55.0205 29.8894 177.8619 96 R 3.4452 7.5537 118.2412 57.3731 26.2571 175.0449 97 P 4.3815 0.0000 0.0000 64.0771 31.9250 179.1256 98 E 3.9728 7.5032 119.9935 59.1412 29.2200 178.4622 99 R 4.1425 7.6447 115.9664 56.4309 30.8157 178.6841 100 V 3.5538 7.4093 118.6782 66.1991 30.6682 177.8853 101 I 3.8657 7.7293 118.7592 63.7777 36.7057 178.0589 102 E 4.0517 7.6961 120.6419 59.0503 29.2874 178.1270 103 I 4.1050 8.1606 111.4348 62.0332 37.9710 176.9987 104 A 4.0269 7.9547 121.9126 53.6516 18.8784 178.6420 105 V 4.1661 7.1995 113.4507 62.1013 32.1529 178.0995 106 K 4.2701 7.8636 121.0421 59.5633 31.9449 178.8629 107 G 3.5550 7.5882 104.5779 47.7655 0.0000 174.9997 108 M 4.2514 7.3365 119.7906 56.7435 32.6200 177.1850 109 L 4.2317 7.5395 118.4373 53.8505 42.8589 175.4362 110 P 4.7057 0.0000 0.0000 62.6543 34.5274 175.5831 111 K 3.8173 8.7524 116.8623 57.8294 29.8122 174.7244 112 G 4.3768 8.2596 107.1091 46.7169 0.0000 173.1206 113 P 4.1433 0.0000 0.0000 64.8462 31.6258 178.6171 114 L 4.1039 7.8658 118.7603 57.8178 42.2594 179.0651 115 G 4.2265 8.0925 106.9322 47.4288 0.0000 175.3187 116 R 4.1476 7.7117 120.0298 58.3623 29.8594 178.3675 117 A 4.0673 7.4152 120.2697 55.4887 18.6559 179.1930 118 M 4.1028 8.3162 117.3057 58.1645 31.9219 178.6969 119 F 3.8622 7.9124 120.2369 61.3653 39.3968 177.1810 120 R 4.2367 7.6498 115.7533 58.7200 30.1918 177.2077 121 K 4.5092 7.7567 117.6165 55.8335 32.0071 175.5603 122 L 4.9380 8.1989 121.0473 52.2033 43.7956 175.9230 123 K 4.7000 8.5049 125.5158 54.9079 34.4710 176.3205 124 V 4.0463 7.9188 117.4024 63.5190 33.4050 176.9566 125 Y 3.5824 7.6716 117.5429 58.1963 36.4053 170.1670 126 A 4.6174 8.7040 116.8654 52.1056 20.8383 175.5837 127 G 4.3901 9.3113 109.2171 47.3525 0.0000 170.8421 128 N 4.1844 8.3621 126.5837 53.4257 36.5086 175.1738 129 E 4.4965 7.8228 114.1423 55.4143 32.3384 174.2033 130 H 3.1951 8.0803 118.6321 53.6914 31.3612 172.6191 131 N 4.6473 8.7343 120.1903 53.6897 38.5246 175.2239 132 H 4.9344 7.7911 115.5996 55.6076 29.3981 176.3414 133 A 4.1432 7.8474 122.5547 53.9463 18.7721 179.0656 134 A 4.1171 7.7360 116.9307 53.4017 18.7637 177.7377 135 Q 3.8633 7.3648 114.3296 54.4000 29.1499 176.2208 136 Q 3.2155 7.8438 115.3763 56.2803 26.1110 172.4022 137 P 4.6204 0.0000 0.0000 62.8997 32.9525 177.2617 138 Q 4.6197 8.4275 123.7869 54.1534 30.4995 175.4784 139 V 3.8475 8.5520 119.7491 62.3572 32.6556 175.9340 140 L 4.5403 8.2993 125.0226 54.0261 44.9098 174.8027 141 D 4.4296 8.8318 127.0973 53.7963 40.3495 176.3746 142 I 3.5541 8.4015 123.3972 61.8286 37.2023 173.4232 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 4.35 0.00 2.01 1.98 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.53 0.00 2 K 8.49 4.29 0.00 1.84 1.71 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.50 7.81 3 T 8.46 4.21 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 1.36 0.00 0.00 4 F 8.20 4.19 0.00 2.80 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 5.79 3.41 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 0.82 0.00 0.00 6 A 8.77 4.04 1.39 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 7 K 8.37 3.98 0.00 1.65 1.71 0.00 1.60 0.00 0.00 1.81 0.00 0.00 2.72 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.32 7.81 8 P 0.00 4.47 0.00 2.18 2.18 0.00 3.74 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 1.98 1.94 0.00 9 E 8.25 4.00 0.00 1.96 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 2.30 2.35 0.00 10 T 7.08 4.36 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 1.25 0.00 0.00 11 V 7.77 4.64 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 0.87 0.00 0.00 0.98 0.00 0.00 12 K 8.00 4.20 0.00 1.74 1.67 0.00 1.96 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.40 7.81 13 R 8.18 3.66 0.00 2.04 1.87 0.00 3.20 0.00 0.00 2.94 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 14 D 8.35 5.26 0.00 2.50 2.40 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 15 W 8.15 5.91 0.00 3.22 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 8.70 5.41 0.00 2.93 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 17 V 8.54 5.05 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 1.05 0.00 0.00 0.88 0.00 0.00 18 V 8.57 4.56 2.21 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 0.76 0.00 0.00 0.94 0.00 0.00 19 D 8.98 4.67 0.00 2.72 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 20 A 8.13 4.58 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 21 T 6.54 4.48 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 1.30 0.00 0.00 22 G 7.96 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.05 3.85 0.00 1.81 1.81 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.56 1.54 7.81 24 T 8.44 4.17 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 1.20 0.00 0.00 25 L 8.41 3.66 0.00 1.85 1.71 0.93 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.67 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 R 7.70 4.23 0.00 1.79 1.98 0.00 3.36 0.00 0.00 3.14 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 28 L 7.98 4.14 0.00 1.76 1.57 0.92 1.00 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 29 A 7.81 3.88 1.37 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 0.00 0.00 0.00 30 T 7.52 3.84 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 1.27 0.00 0.00 31 E 8.35 4.08 0.00 2.08 1.87 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 2.24 2.31 0.00 32 L 7.74 4.01 0.00 1.87 1.57 0.88 0.82 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 33 A 8.72 3.94 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 R 8.08 3.82 0.00 1.98 1.97 0.00 3.26 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.82 0.00 35 R 7.44 4.45 0.00 1.88 1.89 0.00 2.90 0.00 0.00 2.79 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.64 0.00 36 L 8.81 3.94 0.00 1.44 1.61 0.76 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 37 R 7.68 4.30 0.00 1.86 1.88 0.00 3.33 0.00 0.00 3.19 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 38 G 7.67 3.70 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 K 8.53 4.39 0.00 1.69 1.85 0.00 1.60 0.00 0.00 1.80 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.40 7.81 40 H 8.16 4.97 0.00 3.18 3.29 0.00 5.75 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 K 7.56 4.77 0.00 1.70 1.76 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.17 7.81 42 A 8.28 4.34 1.21 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 43 E 7.90 4.02 0.00 2.09 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 2.26 2.32 0.00 44 Y 8.03 3.92 0.00 3.36 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 45 T 8.13 4.22 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 1.27 0.00 0.00 46 P 0.00 4.15 0.00 1.89 2.01 0.00 3.04 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.93 0.00 47 H 7.27 4.48 0.00 3.15 3.34 0.00 5.60 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 48 V 8.21 4.44 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 0.83 0.00 0.00 0.97 0.00 0.00 49 D 8.49 4.66 0.00 2.73 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 50 T 8.35 4.44 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 51 G 7.60 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 52 D 8.41 4.73 0.00 2.74 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 53 Y 8.10 3.90 0.00 1.43 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 I 8.43 5.09 1.93 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.38 0.88 0.00 0.00 55 I 8.39 5.15 2.17 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 2.00 1.17 0.00 0.00 56 V 8.38 3.90 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 0.93 0.00 0.00 1.07 0.00 0.00 57 L 8.55 4.61 0.00 1.88 1.45 1.07 0.60 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 58 N 7.72 5.06 0.00 2.90 2.79 0.00 0.00 6.74 7.99 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 59 A 8.00 4.02 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 60 D 8.22 4.39 0.00 2.78 2.85 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 61 K 7.95 4.61 0.00 1.87 1.85 0.00 1.67 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.36 7.81 62 V 8.03 4.29 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 1.19 0.00 0.00 1.09 0.00 0.00 63 A 8.21 4.62 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 64 V 8.33 3.35 0.96 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 0.46 0.00 0.00 0.56 0.00 0.00 65 T 7.57 3.12 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 1.19 0.00 0.00 66 G 7.26 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 N 8.45 4.73 0.00 2.68 2.78 0.00 0.00 6.70 6.68 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 68 K 7.68 4.47 0.00 1.85 1.91 0.00 1.46 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.29 1.19 7.81 69 R 7.76 3.59 0.00 1.85 1.96 0.00 3.17 0.00 0.00 3.43 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.79 0.00 70 T 7.47 4.91 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 1.29 0.00 0.00 71 D 7.75 4.93 0.00 2.82 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 K 8.12 4.38 0.00 2.14 1.86 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.78 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.68 1.73 7.81 73 V 7.52 3.83 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.79 0.00 0.00 74 Y 7.03 3.76 0.00 3.23 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 75 Y 7.56 5.19 0.00 2.91 2.85 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 76 H 8.73 4.99 0.00 3.18 3.41 0.00 5.20 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 H 8.99 5.70 0.00 3.14 3.24 0.00 5.78 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 T 8.84 3.94 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 1.22 0.00 0.00 79 G 7.51 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 H 8.17 4.85 0.00 3.03 3.22 0.00 5.91 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 81 I 7.58 3.25 1.88 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 1.38 0.47 0.92 0.00 0.00 82 G 9.32 3.88 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 0.00 0.00 0.00 83 G 8.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.28 4.31 1.86 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.80 0.97 0.00 0.00 85 K 9.15 4.57 0.00 1.37 1.62 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.75 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.31 7.81 86 Q 8.63 4.74 0.00 2.13 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.24 0.00 0.00 0.00 0.00 0.00 2.18 2.38 0.00 87 A 7.15 5.22 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 88 T 7.88 4.14 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 1.29 0.00 0.00 89 F 9.27 3.90 0.00 3.31 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 90 E 7.90 4.03 0.00 2.41 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 0.00 2.36 2.43 0.00 91 E 8.01 4.14 0.00 2.21 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 2.38 2.40 0.00 92 M 8.17 3.93 0.00 1.40 1.63 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.62 0.00 93 I 7.18 3.61 1.68 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.13 0.84 0.00 0.00 94 A 7.12 4.27 1.24 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 95 R 8.73 4.44 0.00 1.95 2.10 0.00 2.99 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.49 0.00 96 R 7.55 3.45 0.00 1.90 2.14 0.00 3.09 0.00 0.00 3.35 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 97 P 0.00 4.38 0.00 2.14 2.33 0.00 3.84 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.90 0.00 98 E 7.50 3.97 0.00 2.16 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.50 0.00 99 R 7.64 4.14 0.00 2.02 1.88 0.00 3.09 0.00 0.00 3.05 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 100 V 7.41 3.55 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 1.39 0.00 0.00 0.42 0.00 0.00 101 I 7.73 3.87 1.90 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.99 0.92 0.00 0.00 102 E 7.70 4.05 0.00 2.08 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 2.49 2.72 0.00 103 I 8.16 4.10 2.01 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.90 1.08 0.00 0.00 104 A 7.95 4.03 1.49 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 0.00 105 V 7.20 4.17 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 0.86 0.00 0.00 0.86 0.00 0.00 106 K 7.86 4.27 0.00 2.61 2.05 0.00 1.71 0.00 0.00 1.66 0.00 0.00 3.26 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.51 1.60 7.81 107 G 7.59 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 0.00 108 M 7.34 4.25 0.00 1.83 2.21 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.73 0.00 109 L 7.54 4.23 0.00 1.71 1.64 0.83 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 110 P 0.00 4.71 0.00 2.21 2.21 0.00 3.84 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.96 0.00 111 K 8.75 3.82 0.00 2.06 1.79 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.34 1.36 7.81 112 G 8.26 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 0.00 113 P 0.00 4.14 0.00 2.18 2.08 0.00 3.60 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.13 0.00 114 L 7.87 4.10 0.00 1.76 1.66 0.92 1.03 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 0.00 115 G 8.09 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 R 7.71 4.15 0.00 1.88 1.94 0.00 3.08 0.00 0.00 3.04 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 117 A 7.42 4.07 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 0.00 118 M 8.32 4.10 0.00 2.20 2.12 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.49 0.00 119 F 7.91 3.86 0.00 3.24 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 0.00 120 R 7.65 4.24 0.00 2.11 2.16 0.00 3.49 0.00 0.00 3.30 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.90 0.00 121 K 7.76 4.51 0.00 1.72 1.37 0.00 0.61 0.00 0.00 0.98 0.00 0.00 2.60 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.02 1.28 7.81 122 L 8.20 4.94 0.00 1.24 1.27 0.87 0.16 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 0.00 123 K 8.50 4.70 0.00 2.04 1.76 0.00 1.63 0.00 0.00 2.00 0.00 0.00 3.20 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.51 7.81 124 V 7.92 4.05 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 0.86 0.00 0.00 1.03 0.00 0.00 125 Y 7.67 3.58 0.00 3.23 3.30 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 0.00 126 A 8.70 4.62 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 G 9.31 4.39 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 0.00 128 N 8.36 4.18 0.00 2.85 2.87 0.00 0.00 7.00 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 0.00 129 E 7.82 4.50 0.00 1.85 1.81 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 2.17 2.51 0.00 130 H 8.08 3.20 0.00 3.04 2.96 0.00 5.52 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 0.00 131 N 8.73 4.65 0.00 2.72 2.83 0.00 0.00 6.92 8.62 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 0.00 132 H 7.79 4.93 0.00 3.35 3.16 0.00 5.61 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 0.00 133 A 7.85 4.14 1.13 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 0.00 0.00 134 A 7.74 4.12 1.16 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 0.00 0.00 135 Q 7.36 3.86 0.00 1.30 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.47 0.00 0.00 0.00 0.00 0.00 1.16 1.17 0.00 136 Q 7.84 3.22 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.96 0.00 0.00 0.00 0.00 0.00 2.18 2.21 0.00 137 P 0.00 4.62 0.00 2.12 2.17 0.00 3.70 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 138 Q 8.43 4.62 0.00 2.03 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.79 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 139 V 8.55 3.85 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 0.73 0.00 0.00 0.97 0.00 0.00 140 L 8.30 4.54 0.00 1.75 1.68 0.82 1.07 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 0.00 141 D 8.83 4.43 0.00 2.82 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 0.00 142 I 8.40 3.55 1.84 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 1.26 0.29 0.88 0.00 0.00