NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 22 L 4.3135 8.1801 120.6344 54.6599 43.3218 177.9299 23 A 3.9469 8.2310 123.5716 52.7488 18.9812 176.6624 24 D 5.0349 8.3905 115.1251 50.8276 44.6616 174.8409 25 S 4.1895 9.0834 115.2560 61.7138 62.7096 177.0780 26 K 3.9005 8.1686 120.3452 59.6117 31.8545 178.9468 27 A 4.0017 8.7208 121.1561 55.2192 18.2616 179.9101 28 V 3.6355 7.9902 116.7609 66.0016 31.5101 178.1659 29 L 4.1824 8.5823 119.2868 58.0669 41.5079 179.1179 30 N 4.2310 8.2830 116.8955 56.4472 38.6951 176.6059 31 Q 4.2286 8.4180 120.9530 59.3333 29.1598 178.2585 32 A 4.2085 8.4101 121.8438 55.1123 18.4362 179.4853 33 V 3.5604 8.2064 116.8330 66.3246 31.5881 178.0882 34 A 4.1724 8.4215 120.1597 55.5155 18.3241 179.4134 35 D 4.3975 8.6447 117.7362 57.5396 40.9099 179.0588 36 L 4.2448 8.7827 119.9172 57.7896 41.4405 179.6873 37 S 3.8957 7.9122 115.2746 61.5419 62.5336 176.9664 38 V 3.6319 7.8888 120.7281 65.7663 31.1817 177.9036 39 A 4.0144 8.6211 121.0759 55.3565 18.2043 179.0448 40 H 4.0059 8.4501 116.8302 59.3934 29.9216 177.4766 41 S 4.1201 7.7837 114.9264 61.4544 62.2466 176.1757 42 I 3.6696 8.0069 122.6993 64.4419 36.7910 178.2570 43 L 3.9373 8.1203 120.0318 58.2337 41.4008 179.1995 44 H 3.6809 8.1162 118.0014 58.8872 29.6143 177.1383 45 Q 4.2529 7.9786 121.4715 59.1934 28.8045 178.1937 46 V 3.6269 7.8973 119.3315 66.3677 31.3005 177.0840 47 H 4.0865 8.0905 116.5376 59.3921 29.6730 176.8619 48 W 4.6578 8.1255 118.8654 59.9811 28.8766 177.6474 49 Y 4.3933 8.7598 114.9151 57.3970 37.6911 175.2490 50 M 4.4073 7.5187 120.7032 56.2789 32.8587 175.6501 51 R 4.6602 8.8314 123.2644 55.3516 34.5733 173.7137 52 G 4.1921 8.9383 106.6028 42.9991 0.0000 173.2285 53 R 4.2429 8.2756 119.6569 57.2589 30.4505 177.3728 54 G 4.2868 9.4859 109.9766 45.5937 0.0000 175.1717 55 F 4.0995 8.6685 122.3677 62.0062 39.0435 176.8877 56 M 4.2571 8.2587 115.2895 58.2152 32.2076 177.8790 57 I 3.6807 7.5396 119.6981 63.9955 37.7103 177.9701 58 W 4.2072 8.2055 119.5184 59.0677 28.7610 178.2220 59 H 3.8827 8.0452 118.5849 58.7507 29.3691 175.2601 60 P 4.2269 0.0000 0.0000 65.5410 31.0306 177.9547 61 K 3.4667 7.5775 119.2265 59.6352 31.9589 178.5149 62 M 4.0046 7.8404 118.5673 58.3898 31.8142 178.4461 63 D 4.1593 7.6582 118.9360 57.2755 40.9581 178.6488 64 E 3.9056 7.8535 118.4498 59.6015 29.5022 178.8520 65 Y 4.4656 7.8773 116.7462 61.5499 37.9171 178.4820 66 M 4.0673 8.6085 119.9259 58.5444 32.0354 178.5073 67 E 3.8708 8.2910 119.3047 59.0525 29.7974 178.5038 68 E 3.6448 8.1827 119.4218 59.2451 29.6637 178.7578 69 I 3.8024 8.1146 120.2360 64.6836 37.2020 178.1794 70 D 4.4147 8.4229 119.8979 57.1215 40.6077 179.1184 71 G 3.4399 7.9445 106.3551 47.8927 0.0000 175.3347 72 Y 4.3258 7.3577 119.3660 60.7406 37.8326 178.2879 73 L 3.9512 8.2018 121.4379 58.5245 42.0573 178.6785 74 D 4.4745 8.1827 119.0097 57.0216 41.0303 177.2197 75 E 3.8671 8.1401 118.5363 60.3361 29.4668 179.1651 76 M 3.8724 8.5856 118.2882 58.6292 32.1181 179.1462 77 S 4.1361 8.2905 114.3475 61.4145 62.9982 176.0965 78 E 3.9083 8.7833 122.6039 59.4115 29.2034 179.4546 79 R 3.8460 8.1589 118.5564 59.2690 30.0823 178.2380 80 L 3.9067 7.9105 120.0956 58.2406 42.0665 179.0364 81 I 3.8717 7.9422 119.8411 64.7782 36.8133 178.5507 82 T 3.8834 8.0026 115.8956 66.4612 68.3776 175.9251 83 L 4.3239 7.9519 118.1825 55.1136 41.7401 177.7151 84 G 3.8497 8.1621 107.7968 45.4222 0.0000 174.1028 85 G 3.8370 8.0151 109.4816 43.8576 0.0000 173.5241 86 A 4.4344 8.0226 121.8748 49.3910 20.3968 174.3267 87 P 4.5167 0.0000 0.0000 62.9324 32.2052 176.7139 88 F 4.5439 8.3286 120.2635 58.9886 39.3372 176.4892 89 S 4.8285 8.6804 117.0433 57.7401 64.0443 174.5958 90 T 4.4980 6.8715 110.1820 59.5696 72.8548 174.0316 91 L 3.9719 8.2176 122.3816 57.7120 41.6332 179.5840 92 K 3.7896 7.8761 119.0493 59.7220 32.1495 178.4057 93 E 3.6334 7.6164 118.0724 59.2008 29.2992 179.4023 94 F 4.3660 7.4732 117.6321 60.7766 38.8488 177.6381 95 S 4.1320 8.1757 111.5435 61.6240 62.3023 175.8161 96 E 4.0782 8.1872 120.1368 58.8632 29.2841 178.2865 97 N 4.5108 7.7117 115.0726 53.6144 39.3522 175.6688 98 S 4.5092 7.5293 115.1679 58.0768 62.9814 174.0473 99 Q 4.1456 8.5337 125.2542 57.0942 28.9558 176.6207 100 L 3.9133 7.6097 121.2141 54.6287 42.2939 176.9371 101 K 4.5584 8.3012 123.3826 52.7198 34.2273 174.5888 102 E 4.6861 8.5423 123.0755 53.9489 31.3686 175.4750 103 V 4.5207 7.7266 113.7044 58.8262 35.4712 175.5395 104 L 4.0087 8.2577 121.0944 54.4007 41.9560 177.8603 105 G 2.5934 8.1237 111.2995 45.7463 0.0000 172.5580 106 D 4.4006 7.3330 121.3127 52.7310 43.8656 175.6053 107 Y 4.8349 8.6323 123.7654 59.9813 38.1362 176.2906 108 N 4.7304 8.8180 116.3878 53.3713 39.0566 175.5201 109 V 3.9112 7.2504 118.5047 62.6421 32.3512 176.4493 110 T 4.3450 9.2154 117.9302 60.8883 71.0477 175.8974 111 I 3.6606 8.3154 122.5317 65.0458 37.1530 178.5590 112 E 3.9155 8.0737 118.4143 59.2968 29.3012 179.1660 113 E 3.9725 8.1501 118.7225 59.1495 29.5045 179.3345 114 Q 3.9158 8.4311 118.5754 59.0039 28.7616 178.6117 115 L 3.6732 8.0339 120.0987 57.7865 41.5754 179.5136 116 A 3.8692 7.8585 120.5363 55.0399 18.3862 179.6290 117 R 3.7485 7.9176 117.2190 59.5051 30.0561 178.9563 118 V 3.2768 7.6734 117.9981 65.7401 31.4656 177.9030 119 V 3.4485 7.7409 118.2902 66.2160 31.2866 177.8001 120 E 3.9817 8.0865 118.0221 59.3416 29.2008 179.5005 121 V 3.6659 7.6031 117.7334 66.2140 31.5536 178.0977 122 F 4.4004 8.4902 117.7108 60.7303 38.7027 177.8501 123 R 3.9275 8.6491 118.1646 59.2783 29.7998 178.3834 124 Y 3.9194 8.1637 119.2146 60.7802 38.8373 178.2253 125 L 3.2944 8.1921 119.7960 57.4599 41.6319 179.3682 126 A 3.8657 8.0090 120.7035 54.9282 18.2873 179.5840 127 A 3.7545 7.6568 119.1979 55.1314 18.3842 179.5374 128 L 3.6094 7.4382 119.1990 58.3421 42.0240 179.2883 129 F 4.4929 8.0504 118.0492 60.4709 38.7746 177.4501 130 Q 4.0249 8.3622 121.9116 59.6456 28.8515 179.0411 131 K 3.9798 8.0441 124.8277 59.8020 31.7297 181.1252 132 G 2.4216 7.7450 107.4509 46.7966 0.0000 175.4726 133 F 3.9065 8.1902 123.4122 61.1631 39.4619 176.6358 134 D 4.4325 8.7321 118.6525 57.6038 40.7029 179.1651 135 V 3.5531 7.7803 118.4547 66.1476 31.6747 178.2585 136 S 4.2069 7.9907 115.2229 60.8044 62.7761 175.9903 137 D 4.1635 7.9974 124.1630 57.7077 40.7414 178.5556 138 E 3.9768 7.8988 117.6618 61.2630 29.7970 180.4166 139 E 4.4061 8.1297 117.7359 56.4467 29.6828 177.4369 140 G 3.7989 7.5702 106.4979 47.0395 0.0000 174.9209 141 D 4.6057 7.8849 121.5425 52.5385 39.2421 175.9325 142 S 4.0640 8.0172 119.9170 60.6118 63.2962 176.5580 143 V 3.4893 7.6811 121.3530 66.3142 31.4357 178.0388 144 T 3.7631 7.9558 114.9631 66.3695 68.2185 175.9940 145 N 4.5377 8.1253 120.4119 56.3153 38.9011 176.5781 146 D 4.4221 8.0552 119.9814 57.3630 40.9900 178.8590 147 I 3.5547 7.4064 120.3078 64.4520 37.0484 178.5703 148 F 3.9687 7.7856 118.0743 60.2667 38.7149 177.3327 149 N 4.3824 8.3220 116.9074 56.7466 38.8502 177.2117 150 V 3.5640 7.9003 119.4293 65.8052 31.6377 177.8457 151 A 3.2115 7.4451 120.1457 54.6089 17.9744 179.4330 152 K 3.9885 8.0604 117.9521 59.6620 32.3925 178.6442 153 A 3.9790 7.9814 120.9466 55.3971 18.3033 179.6491 154 S 4.0543 7.9314 110.9877 61.5892 62.5157 176.3426 155 I 3.5179 7.7952 122.5405 64.3693 36.8391 178.3183 156 E 4.0504 8.3834 119.5547 59.1323 29.2569 179.1711 157 K 4.2630 8.0336 119.3198 60.0860 32.1954 178.6211 158 H 4.4758 8.2676 116.3969 58.8288 28.4848 177.8774 159 I 3.8212 7.9562 121.8970 64.0128 36.9340 177.9385 160 W 4.4287 8.2639 128.9907 61.0325 30.4999 177.7599 161 M 3.3649 7.7280 118.1938 58.2063 31.4453 178.8554 162 L 4.0096 8.2384 119.1801 58.0174 41.7656 179.6614 163 Q 3.9959 8.4518 118.0176 58.7598 28.6317 178.6805 164 A 4.0395 8.4007 122.3064 55.2286 18.2313 179.0689 165 E 4.0165 8.3549 116.9881 59.4158 29.6682 178.1658 166 L 4.4371 7.5384 116.0588 53.9308 41.7217 176.8967 167 G 3.9956 8.0199 106.4208 46.6292 0.0000 173.9388 168 Q 4.6380 8.2715 116.8357 53.0441 32.2520 175.6137 169 A 4.3314 8.3970 122.8878 51.5488 19.1324 176.2507 170 P 4.4032 0.0000 0.0000 64.0313 31.7791 177.2298 171 K 3.8380 8.1559 115.5248 56.9812 29.7278 174.7157 172 L 4.1774 7.9631 121.6384 55.2702 41.4815 177.6813 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 22 L 8.18 4.31 0.00 1.65 1.76 0.99 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.23 3.95 1.31 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 0.00 0.00 0.00 24 D 8.39 5.03 0.00 3.07 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 25 S 9.08 4.19 0.00 3.93 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 26 K 8.17 3.90 0.00 1.94 1.85 0.00 1.65 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.52 7.81 27 A 8.72 4.00 1.42 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 28 V 7.99 3.64 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 0.94 0.00 0.00 0.91 0.00 0.00 29 L 8.58 4.18 0.00 1.87 1.72 0.91 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.28 4.23 0.00 2.80 2.56 0.00 0.00 6.89 6.52 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 31 Q 8.42 4.23 0.00 2.47 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.49 2.80 0.00 32 A 8.41 4.21 1.71 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 0.00 0.00 33 V 8.21 3.56 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 1.26 0.00 0.00 1.06 0.00 0.00 34 A 8.42 4.17 1.55 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 35 D 8.64 4.40 0.00 2.96 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.78 4.24 0.00 1.74 1.79 1.12 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 37 S 7.91 3.90 0.00 3.38 3.23 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 38 V 7.89 3.63 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 1.09 0.00 0.00 1.01 0.00 0.00 39 A 8.62 4.01 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 40 H 8.45 4.01 0.00 3.35 3.50 0.00 5.79 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 S 7.78 4.12 0.00 3.97 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 0.00 42 I 8.01 3.67 1.86 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 1.50 0.51 0.87 0.00 0.00 43 L 8.12 3.94 0.00 1.74 1.69 1.12 1.33 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 44 H 8.12 3.68 0.00 3.00 2.63 0.00 5.61 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 7.98 4.25 0.00 2.28 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.54 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 46 V 7.90 3.63 2.22 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 0.95 0.00 0.00 0.97 0.00 0.00 47 H 8.09 4.09 0.00 3.06 3.24 0.00 6.00 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 W 8.13 4.66 0.00 3.64 2.86 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 49 Y 8.76 4.39 0.00 3.14 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 50 M 7.52 4.41 0.00 2.32 2.40 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.89 0.00 51 R 8.83 4.66 0.00 1.90 1.80 0.00 3.31 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 2.00 0.00 52 G 8.94 4.19 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 0.00 53 R 8.28 4.24 0.00 1.87 1.95 0.00 3.38 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 54 G 9.49 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 55 F 8.67 4.10 0.00 3.40 3.14 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 0.00 0.00 0.00 56 M 8.26 4.26 0.00 2.09 2.23 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.74 0.00 57 I 7.54 3.68 1.69 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 1.41 1.13 -0.06 0.00 0.00 58 W 8.21 4.21 0.00 3.37 3.19 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 59 H 8.05 3.88 0.00 1.66 2.62 0.00 5.95 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 60 P 0.00 4.23 0.00 2.16 2.21 0.00 3.54 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 2.06 1.96 0.00 61 K 7.58 3.47 0.00 1.49 1.84 0.00 1.06 0.00 0.00 1.06 0.00 0.00 2.62 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.03 0.54 7.81 62 M 7.84 4.00 0.00 2.04 2.20 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 3.00 0.00 63 D 7.66 4.16 0.00 2.72 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 64 E 7.85 3.91 0.00 1.92 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 2.30 2.39 0.00 65 Y 7.88 4.47 0.00 3.19 3.15 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 0.00 0.00 0.00 66 M 8.61 4.07 0.00 1.86 2.20 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.28 0.00 67 E 8.29 3.87 0.00 2.00 2.05 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 2.24 2.27 0.00 68 E 8.18 3.64 0.00 2.16 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 1.88 2.04 0.00 69 I 8.11 3.80 2.07 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.54 1.03 0.00 0.00 70 D 8.42 4.41 0.00 2.83 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 G 7.94 3.44 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 0.00 72 Y 7.36 4.33 0.00 3.20 2.84 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 73 L 8.20 3.95 0.00 1.84 1.86 0.89 1.28 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 74 D 8.18 4.47 0.00 2.77 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 75 E 8.14 3.87 0.00 2.33 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 2.31 2.53 0.00 76 M 8.59 3.87 0.00 1.95 2.18 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.02 0.00 77 S 8.29 4.14 0.00 4.06 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 E 8.78 3.91 0.00 2.20 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 2.33 2.51 0.00 79 R 8.16 3.85 0.00 1.81 1.97 0.00 3.10 0.00 0.00 3.03 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 80 L 7.91 3.91 0.00 1.88 1.83 0.94 0.95 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 81 I 7.94 3.87 2.00 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 1.52 0.58 0.90 0.00 0.00 82 T 8.00 3.88 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 1.19 0.00 0.00 83 L 7.95 4.32 0.00 1.74 1.69 0.95 1.32 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 84 G 8.16 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 85 G 8.02 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 0.00 0.00 0.00 86 A 8.02 4.43 1.18 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 0.00 0.00 87 P 0.00 4.52 0.00 2.28 2.08 0.00 3.79 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.01 0.00 88 F 8.33 4.54 0.00 3.44 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 89 S 8.68 4.83 0.00 4.05 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 90 T 6.87 4.50 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 91 L 8.22 3.97 0.00 1.69 1.80 1.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 92 K 7.88 3.79 0.00 1.74 1.71 0.00 1.68 0.00 0.00 1.77 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.50 7.81 93 E 7.62 3.63 0.00 1.83 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.23 0.00 94 F 7.47 4.37 0.00 3.24 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 95 S 8.18 4.13 0.00 3.98 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 96 E 8.19 4.08 0.00 1.91 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 2.30 2.40 0.00 97 N 7.71 4.51 0.00 2.39 2.78 0.00 0.00 6.97 7.58 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 98 S 7.53 4.51 0.00 4.08 3.79 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 99 Q 8.53 4.15 0.00 1.69 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.64 0.00 0.00 0.00 0.00 0.00 2.48 2.68 0.00 100 L 7.61 3.91 0.00 1.52 1.46 0.95 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 101 K 8.30 4.56 0.00 1.74 1.56 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.25 0.98 7.81 102 E 8.54 4.69 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 2.22 2.30 0.00 103 V 7.73 4.52 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 0.70 0.00 0.00 0.86 0.00 0.00 104 L 8.26 4.01 0.00 1.54 1.50 0.89 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 105 G 8.12 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 0.00 0.00 0.00 106 D 7.33 4.40 0.00 2.56 2.34 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 0.00 107 Y 8.63 4.83 0.00 3.13 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 0.00 108 N 8.82 4.73 0.00 3.03 2.89 0.00 0.00 6.92 7.41 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 0.00 109 V 7.25 3.91 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 0.82 0.00 0.00 0.96 0.00 0.00 110 T 9.22 4.35 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 111 I 8.32 3.66 1.88 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.08 0.83 0.00 0.00 112 E 8.07 3.92 0.00 1.97 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 2.32 2.35 0.00 113 E 8.15 3.97 0.00 2.19 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 2.30 2.32 0.00 114 Q 8.43 3.92 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.77 0.00 0.00 0.00 0.00 0.00 2.60 2.59 0.00 115 L 8.03 3.67 0.00 1.32 1.29 -0.38 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 116 A 7.86 3.87 1.33 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 0.00 0.00 0.00 117 R 7.92 3.75 0.00 1.83 2.07 0.00 3.05 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 118 V 7.67 3.28 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.16 0.00 0.00 0.85 0.00 0.00 119 V 7.74 3.45 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 0.99 0.00 0.00 0.88 0.00 0.00 120 E 8.09 3.98 0.00 2.17 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 2.30 2.43 0.00 121 V 7.60 3.67 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 1.26 0.00 0.00 0.92 0.00 0.00 122 F 8.49 4.40 0.00 3.19 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 R 8.65 3.93 0.00 2.01 2.00 0.00 3.15 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.88 0.00 124 Y 8.16 3.92 0.00 3.12 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 0.00 125 L 8.19 3.29 0.00 1.55 0.86 1.03 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 126 A 8.01 3.87 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 0.00 127 A 7.66 3.75 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 L 7.44 3.61 0.00 1.01 1.21 0.90 1.04 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 0.00 129 F 8.05 4.49 0.00 3.13 3.23 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 0.00 130 Q 8.36 4.02 0.00 2.20 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.79 0.00 0.00 0.00 0.00 0.00 2.29 2.38 0.00 131 K 8.04 3.98 0.00 1.82 1.81 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.38 1.34 7.81 132 G 7.74 2.42 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 0.00 133 F 8.19 3.91 0.00 3.27 3.22 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 0.00 134 D 8.73 4.43 0.00 2.82 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 V 7.78 3.55 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 1.02 0.00 0.00 0.95 0.00 0.00 136 S 7.99 4.21 0.00 4.27 4.16 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 0.00 137 D 8.00 4.16 0.00 2.53 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 0.00 138 E 7.90 3.98 0.00 2.12 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 2.26 2.23 0.00 139 E 8.13 4.41 0.00 2.04 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 2.33 2.53 0.00 140 G 7.57 3.80 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 0.00 0.00 0.00 0.00 141 D 7.88 4.61 0.00 2.70 2.54 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 0.00 142 S 8.02 4.06 0.00 4.05 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 0.00 143 V 7.68 3.49 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 1.01 0.00 0.00 0.90 0.00 0.00 144 T 7.96 3.76 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 1.29 0.00 0.00 145 N 8.13 4.54 0.00 2.65 2.88 0.00 0.00 6.86 8.11 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 0.00 146 D 8.06 4.42 0.00 2.98 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 0.00 147 I 7.41 3.55 1.64 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.14 0.49 0.00 0.00 148 F 7.79 3.97 0.00 3.32 3.25 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 0.00 149 N 8.32 4.38 0.00 3.32 2.99 0.00 0.00 6.82 7.87 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 0.00 150 V 7.90 3.56 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 0.98 0.00 0.00 0.96 0.00 0.00 151 A 7.45 3.21 -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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 K 8.06 3.99 0.00 2.10 1.99 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.96 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.43 1.50 7.81 153 A 7.98 3.98 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 0.00 154 S 7.93 4.05 0.00 3.99 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 0.00 155 I 7.80 3.52 1.84 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.58 0.71 0.00 0.00 156 E 8.38 4.05 0.00 2.23 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 2.34 2.49 0.00 157 K 8.03 4.26 0.00 2.07 2.02 0.00 1.76 0.00 0.00 1.88 0.00 0.00 3.02 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.78 1.90 7.81 158 H 8.27 4.48 0.00 3.54 3.47 0.00 5.68 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 I 7.96 3.82 2.13 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 1.58 1.09 0.99 0.00 0.00 160 W 8.26 4.43 0.00 3.45 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 0.00 161 M 7.73 3.36 0.00 1.98 2.16 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.28 0.00 162 L 8.24 4.01 0.00 1.75 1.60 0.74 0.91 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 0.00 163 Q 8.45 4.00 0.00 2.36 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.49 2.58 0.00 164 A 8.40 4.04 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 0.00 165 E 8.35 4.02 0.00 2.18 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 0.00 2.27 2.44 0.00 166 L 7.54 4.44 0.00 1.80 1.63 0.81 0.83 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 0.00 167 G 8.02 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 0.00 168 Q 8.27 4.64 0.00 2.12 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.87 0.00 0.00 0.00 0.00 0.00 2.29 2.47 0.00 169 A 8.40 4.33 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 0.00 170 P 0.00 4.40 0.00 2.12 2.29 0.00 3.89 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.40 0.00 171 K 8.16 3.84 0.00 1.87 1.85 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.20 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.53 7.81 172 L 7.96 4.18 0.00 1.63 1.59 0.98 0.94 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