NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4230 8.1927 115.2926 57.8570 63.8062 174.1720 4 L 3.7661 8.6135 129.5037 57.4236 42.0426 176.7296 5 C 4.2216 8.9388 120.8928 62.2179 31.7387 175.3180 6 L 4.0952 8.0297 120.0900 57.4782 41.1859 179.3401 7 Q 3.9439 8.0452 119.4699 59.2305 28.9870 178.2305 8 R 4.1198 8.3096 120.0295 59.5137 30.0089 178.4928 9 L 3.9817 8.1791 118.7450 57.7529 41.5442 179.1779 10 Q 4.0684 8.3111 118.1772 59.3862 28.7294 179.1939 11 E 4.0298 8.3546 119.1652 59.5958 29.4914 179.3963 12 E 4.1446 8.6809 119.0560 59.2149 29.4620 179.3686 13 R 4.3030 8.6149 119.0739 59.7210 30.1039 178.7451 14 K 4.0684 8.2272 117.2932 59.1927 32.2028 179.2135 15 K 4.1322 8.2917 120.0239 59.3755 32.0187 178.4258 16 W 4.3694 8.8955 129.0588 60.8975 30.3431 177.4170 17 R 4.3071 8.1470 114.2137 57.1195 29.4612 176.7750 18 K 4.4459 8.2709 120.0594 56.9666 34.2143 175.8759 19 D 4.8298 7.4469 117.2307 53.8279 41.7884 174.9409 20 H 4.0224 7.6455 111.7389 52.9540 29.4598 173.0366 21 P 4.1385 0.0000 0.0000 62.6682 31.6610 175.6624 22 F 4.2280 8.6497 124.1863 59.4943 39.8002 175.6222 23 G 3.7327 8.2180 116.2985 44.8664 0.0000 172.9803 24 F 5.0591 7.7045 117.5829 56.5628 40.8985 174.7095 25 Y 5.5054 8.1967 117.8078 56.0705 41.8501 173.8618 26 A 4.9933 8.9401 119.2544 51.2607 22.1776 175.6943 27 K 4.0568 8.9322 121.4697 54.2683 36.1972 173.3017 28 P 4.1742 0.0000 0.0000 62.8450 31.9467 176.5563 29 V 3.9556 8.5027 116.1695 61.0788 33.1234 175.4674 30 K 4.6945 8.3639 122.3691 55.7637 33.3931 177.4003 31 K 4.3058 8.9356 124.3972 54.9863 33.4907 177.7012 32 A 4.0287 8.5329 122.1813 55.0422 18.1931 178.0358 33 D 4.6808 8.0826 113.3756 52.8789 39.5705 177.8858 34 G 3.8959 8.1487 107.2079 46.2101 0.0000 174.7284 35 S 4.3527 8.1260 114.9046 58.0980 63.8720 173.1260 36 M 4.5441 8.1478 120.6423 54.4643 32.9373 176.4306 37 D 4.6260 8.6440 123.4494 52.5921 40.2464 176.7953 38 L 4.0600 8.3704 126.9609 57.3672 41.9669 178.4681 39 Q 4.5087 8.4387 116.1299 55.8441 29.1369 174.8622 40 K 5.0313 8.5287 120.8994 55.0496 35.2962 174.9700 41 W 5.2854 9.6075 127.7137 55.0156 33.0300 174.4846 42 E 5.1891 9.3045 121.3656 54.8319 31.7681 175.2301 43 A 4.7855 9.0525 124.7928 50.2100 23.6908 174.7193 44 G 3.7345 7.8715 104.9206 44.4169 0.0000 171.9955 45 I 4.2495 8.4582 125.2111 58.3034 39.6602 173.3530 46 P 4.6984 0.0000 0.0000 62.1798 32.0694 176.7088 47 G 4.4837 8.5746 109.8907 45.6419 0.0000 173.6367 48 K 4.4405 8.7512 121.3366 55.6383 32.9611 176.9824 49 E 4.0403 8.6150 122.3718 57.8990 29.9128 177.6623 50 G 4.0303 9.1557 110.0355 45.6320 0.0000 172.9228 51 T 4.8682 7.4280 108.1776 59.3165 71.6855 174.7468 52 N 4.4455 8.8677 118.7951 55.2129 38.7805 176.1874 53 W 4.4469 8.2891 117.6961 57.0621 29.7627 176.2691 54 A 4.2565 7.9038 122.6121 53.9393 18.1036 177.8009 55 G 4.0293 9.2544 110.7685 44.9801 0.0000 173.5983 56 G 3.7224 7.7441 106.4768 45.4795 0.0000 173.1434 57 V 4.4946 8.3069 121.5783 61.0161 33.8425 174.4059 58 Y 4.5305 8.5541 127.5368 55.8784 39.6599 173.5276 59 P 4.9175 0.0000 0.0000 62.4312 33.2019 175.2142 60 I 4.9362 8.7715 115.8455 59.2809 41.5651 173.9472 61 T 4.9360 8.4546 113.0254 59.9036 71.7652 173.1893 62 V 4.4261 8.5393 123.6912 61.1222 34.3145 173.8613 63 E 4.9044 8.7143 128.2679 54.8161 31.8563 174.6062 64 Y 4.5511 8.5886 123.9649 55.5565 39.1995 174.5539 65 P 4.5614 0.0000 0.0000 61.9639 32.5365 176.9403 66 N 4.3850 8.6996 116.1855 56.5486 38.7729 176.2195 67 E 4.2798 8.1410 115.2940 56.8785 29.9843 175.8742 68 Y 4.7179 8.2379 121.4269 56.7748 38.9947 174.3631 69 P 4.2326 0.0000 0.0000 62.8166 31.9525 177.9268 70 S 4.2632 8.0173 116.4029 61.0268 62.9682 174.7315 71 K 4.5931 7.7678 118.4833 53.4494 34.3536 174.0024 72 P 2.9700 0.0000 0.0000 61.0448 31.8866 174.2383 73 P 4.2075 0.0000 0.0000 62.4803 32.5628 174.9415 74 K 4.3179 8.4762 122.2577 54.7079 34.2838 174.9906 75 V 4.6312 8.0483 126.3964 60.9358 34.5102 174.1085 76 K 4.9423 8.4760 126.1964 54.6096 36.3861 176.4154 77 F 5.0355 8.7436 123.4512 55.3447 40.8713 173.0499 78 P 4.7346 0.0000 0.0000 62.4528 32.4098 176.4314 79 A 4.2802 8.6810 125.8637 54.2761 18.5702 178.1506 80 G 4.0848 8.7361 112.0475 44.7021 0.0000 173.7123 81 F 4.0496 8.0835 121.9801 58.7268 39.7559 173.7454 82 Y 4.5187 7.9307 128.2211 56.0578 39.0599 173.9676 83 H 4.3350 7.9575 123.1486 54.6323 33.0304 172.7762 84 P 3.7074 0.0000 0.0000 64.9776 31.2141 177.3064 85 N 4.8347 8.1473 113.4253 52.5506 38.8620 173.6807 86 V 4.6777 7.4109 118.9755 60.9138 33.2369 175.2511 87 Y 4.7448 8.5489 124.8559 56.6068 38.5799 175.2756 88 P 4.3990 0.0000 0.0000 65.9112 31.4812 179.1039 89 S 4.1613 8.1036 111.2850 59.7400 63.2719 175.1070 90 G 4.5932 8.6490 109.9090 46.1906 0.0000 173.4274 91 T 4.3131 7.9672 117.5607 64.2992 69.4756 173.1684 92 I 4.5155 8.0631 127.2182 60.2547 38.6867 175.1615 93 C 4.5067 8.5872 125.2862 58.6855 28.8979 173.4312 94 L 4.5042 8.2240 125.7124 53.4363 44.9099 176.3914 95 S 4.4694 9.1531 120.5783 60.6744 62.9866 176.1410 96 I 3.8419 7.8816 113.6203 62.6329 37.4903 176.7532 97 L 4.4779 8.0262 120.2498 54.3528 42.1430 175.3539 98 N 4.8049 7.7299 119.3080 51.3963 39.5209 175.0441 99 E 4.1457 8.9065 124.8529 59.2483 29.5983 177.4497 100 D 4.8930 8.6067 117.4019 54.0305 42.6663 175.9851 101 Q 4.4028 8.9298 116.6032 56.3720 29.1772 176.1261 102 D 4.8577 6.0500 125.1132 54.1606 42.5556 176.6937 103 W 4.5424 8.0190 129.4441 56.9981 31.5027 175.2259 104 R 4.2179 6.7291 122.6498 53.4175 33.4484 174.3690 105 P 4.1508 0.0000 0.0000 64.6479 31.4513 177.7155 106 A 3.9755 7.4446 119.4753 54.1153 18.6030 177.8511 107 I 3.7111 6.8125 117.1372 62.3044 37.6855 176.3794 108 T 4.7701 8.9454 115.8147 60.0070 72.1179 175.6419 109 L 3.8877 8.8924 123.3617 58.1433 41.9815 178.9402 110 K 4.0714 8.3479 119.0542 60.0177 32.1682 178.6066 111 Q 4.0471 8.0847 117.7973 58.7632 28.4521 178.8887 112 I 3.6896 7.7071 120.9528 64.6203 37.2304 178.9092 113 V 3.6935 8.2771 113.5543 64.4800 31.2992 178.7483 114 L 4.3373 8.1877 118.9168 57.5405 41.5033 179.8484 115 G 3.5612 7.9976 105.9223 47.6285 0.0000 176.0529 116 V 3.5153 7.8864 120.1474 65.6410 31.7154 177.3848 117 Q 4.1218 8.5866 119.7770 59.5008 28.6762 178.0192 118 D 4.3282 8.2325 117.8815 57.3043 41.6424 177.6853 119 L 3.9993 7.8151 120.4227 57.7149 41.7442 178.5609 120 L 2.9444 6.9847 118.3429 57.5678 41.3947 177.8027 121 D 4.9239 7.5559 113.7520 54.7537 41.6350 176.8239 122 S 4.6587 7.4452 113.1765 56.3729 63.4364 171.0222 123 P 4.2856 0.0000 0.0000 62.0791 31.9833 175.7630 124 N 4.6659 9.5339 122.5665 52.2088 39.2049 174.1603 125 P 4.3796 0.0000 0.0000 65.0997 31.6680 176.6244 126 N 4.6778 8.6198 115.7517 53.8146 38.5893 175.8838 127 S 4.5885 7.6266 115.3072 56.1555 63.7537 172.3461 128 P 4.6514 0.0000 0.0000 61.4466 30.2934 176.9980 129 A 3.9546 8.6070 125.8241 54.3961 19.0263 177.3076 130 Q 4.4532 7.9733 115.8081 53.4221 31.7454 174.8225 131 E 4.0953 8.9283 128.6659 59.0982 29.8501 176.8733 132 P 4.3583 0.0000 0.0000 65.7119 31.3775 178.2206 133 A 3.9406 7.7696 121.4329 54.1805 18.3293 179.3251 134 W 4.1469 8.0187 117.5258 59.9025 29.0879 178.5700 135 R 4.0349 8.3363 118.5818 59.7308 29.4714 178.8049 136 S 4.2005 8.4793 114.8394 61.6876 62.7147 176.1388 137 F 3.4801 8.3945 122.4151 61.3728 38.9535 176.7876 138 S 4.4877 8.2510 112.8533 59.7928 63.2182 175.2225 139 R 4.5515 8.1686 118.4635 56.5664 32.5488 176.2591 140 N 5.0173 8.3189 116.3575 50.8578 40.0052 174.2351 141 K 3.8629 8.1491 123.0166 59.2249 32.7111 177.3917 142 A 4.0237 7.9772 120.6134 55.0780 18.3271 179.0926 143 E 3.8386 8.1178 117.2935 59.4212 29.8433 177.9698 144 Y 4.1006 8.1939 119.6036 61.0554 38.8558 177.8574 145 D 4.2839 8.7939 119.8987 57.3388 40.9665 178.7801 146 K 3.7853 8.0036 119.9331 59.3322 32.0380 178.7155 147 K 3.5398 7.7375 119.8143 59.1897 31.9484 178.8916 148 V 2.7607 7.1925 118.4310 65.7073 31.4094 177.8945 149 L 3.8036 7.8646 118.9686 57.8907 41.3778 179.6465 150 L 3.9395 7.7326 118.8077 57.5951 41.5250 179.3058 151 Q 3.8467 8.1847 119.8225 58.8207 28.6713 177.9508 152 A 4.5266 7.7842 122.6948 54.6953 18.7409 179.4566 153 K 4.0473 7.9539 116.5461 59.4869 31.8627 179.1604 154 Q 3.8529 7.9303 119.1087 58.8045 29.0849 177.6500 155 Y 4.8211 7.9475 116.2633 59.7335 39.3512 176.5259 156 S 4.5654 7.9481 118.7055 57.5772 64.7524 174.8136 157 K 4.1990 8.5466 121.4724 57.5385 32.1554 175.9746 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 3 S 8.19 4.42 0.00 3.89 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 4 L 8.61 3.77 0.00 1.87 1.65 0.89 0.54 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 5 C 8.94 4.22 0.00 3.34 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 6 L 8.03 4.10 0.00 1.78 1.73 0.94 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 7 Q 8.05 3.94 0.00 2.34 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.52 0.00 8 R 8.31 4.12 0.00 1.92 2.20 0.00 3.24 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.90 0.00 9 L 8.18 3.98 0.00 1.90 1.78 0.81 -0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 10 Q 8.31 4.07 0.00 2.30 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.60 2.59 0.00 11 E 8.35 4.03 0.00 2.28 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 2.37 2.63 0.00 12 E 8.68 4.14 0.00 2.16 1.98 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 2.57 2.51 0.00 13 R 8.61 4.30 0.00 2.20 2.25 0.00 2.89 0.00 0.00 3.00 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.45 0.00 14 K 8.23 4.07 0.00 1.83 1.93 0.00 1.80 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.50 7.81 15 K 8.29 4.13 0.00 2.01 2.19 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.54 1.50 7.81 16 W 8.90 4.37 0.00 3.67 3.48 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 0.00 0.00 0.00 17 R 8.15 4.31 0.00 1.96 2.05 0.00 3.21 0.00 0.00 3.21 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.13 0.00 18 K 8.27 4.45 0.00 1.67 1.89 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.32 7.81 19 D 7.45 4.83 0.00 2.50 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 H 7.65 4.02 0.00 1.40 1.63 0.00 5.60 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 21 P 0.00 4.14 0.00 1.04 1.56 0.00 2.86 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 1.48 1.76 0.00 22 F 8.65 4.23 0.00 3.02 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 23 G 8.22 3.73 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 0.00 0.00 0.00 24 F 7.70 5.06 0.00 3.19 3.41 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 25 Y 8.20 5.51 0.00 3.14 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 26 A 8.94 4.99 0.33 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 27 K 8.93 4.06 0.00 1.84 1.55 0.00 1.63 0.00 0.00 1.58 0.00 0.00 2.77 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.13 1.26 7.81 28 P 0.00 4.17 0.00 1.56 1.68 0.00 3.02 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 1.31 0.44 0.00 29 V 8.50 3.96 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 0.80 0.00 0.00 1.01 0.00 0.00 30 K 8.36 4.69 0.00 1.61 1.70 0.00 1.85 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.37 7.81 31 K 8.94 4.31 0.00 1.95 1.74 0.00 1.67 0.00 0.00 1.80 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.47 7.81 32 A 8.53 4.03 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 33 D 8.08 4.68 0.00 2.78 2.75 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 0.00 0.00 0.00 34 G 8.15 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.13 4.35 0.00 4.00 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 36 M 8.15 4.54 0.00 1.87 1.93 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 2.47 2.36 0.00 37 D 8.64 4.63 0.00 2.65 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 38 L 8.37 4.06 0.00 1.71 1.80 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 39 Q 8.44 4.51 0.00 2.33 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.74 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 40 K 8.53 5.03 0.00 1.86 1.78 0.00 1.59 0.00 0.00 1.67 0.00 0.00 2.82 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.43 7.81 41 W 9.61 5.29 0.00 3.12 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 42 E 9.30 5.19 0.00 1.95 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 2.27 2.28 0.00 43 A 9.05 4.79 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 G 7.87 3.73 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 0.00 0.00 0.00 45 I 8.46 4.25 1.99 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.95 0.92 0.00 0.00 46 P 0.00 4.70 0.00 1.96 1.86 0.00 2.20 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.49 0.00 47 G 8.57 4.48 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 0.00 0.00 0.00 0.00 0.00 0.00 48 K 8.75 4.44 0.00 1.95 1.84 0.00 1.74 0.00 0.00 1.89 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.64 1.55 7.81 49 E 8.62 4.04 0.00 2.03 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 2.41 2.33 0.00 50 G 9.16 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 0.00 0.00 0.00 51 T 7.43 4.87 4.71 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 1.41 0.00 0.00 52 N 8.87 4.45 0.00 2.60 2.72 0.00 0.00 6.94 7.68 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 53 W 8.29 4.45 0.00 3.51 3.56 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 54 A 7.90 4.26 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 55 G 9.25 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 0.00 0.00 0.00 56 G 7.74 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 57 V 8.31 4.49 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.87 0.00 0.00 58 Y 8.55 4.53 0.00 3.10 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 59 P 0.00 4.92 0.00 2.19 2.30 0.00 3.08 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.15 0.00 60 I 8.77 4.94 1.47 0.00 0.00 0.57 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 0.70 0.10 0.00 0.00 61 T 8.45 4.94 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 1.20 0.00 0.00 62 V 8.54 4.43 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 0.02 0.00 0.00 0.62 0.00 0.00 63 E 8.71 4.90 0.00 1.73 1.72 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 2.16 2.14 0.00 64 Y 8.59 4.55 0.00 2.67 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.56 0.00 2.41 2.14 0.00 3.68 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.00 0.00 66 N 8.70 4.38 0.00 2.76 2.97 0.00 0.00 6.96 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 67 E 8.14 4.28 0.00 2.10 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 2.41 2.37 0.00 68 Y 8.24 4.72 0.00 3.09 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 69 P 0.00 4.23 0.00 2.06 1.33 0.00 3.62 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.67 0.00 70 S 8.02 4.26 0.00 4.12 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 71 K 7.77 4.59 0.00 1.73 1.57 0.00 1.81 0.00 0.00 1.90 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.32 7.81 72 P 0.00 2.97 0.00 1.61 0.84 0.00 3.48 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 73 P 0.00 4.21 0.00 1.27 0.86 0.00 2.79 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 74 K 8.48 4.32 0.00 1.64 1.50 0.00 1.47 0.00 0.00 1.48 0.00 0.00 2.71 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.22 1.25 7.81 75 V 8.05 4.63 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 0.59 0.00 0.00 0.62 0.00 0.00 76 K 8.48 4.94 0.00 1.61 1.58 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.30 7.81 77 F 8.74 5.04 0.00 2.73 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 0.00 0.00 0.00 0.00 78 P 0.00 4.73 0.00 2.36 2.16 0.00 3.68 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.25 0.00 79 A 8.68 4.28 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 80 G 8.74 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 0.00 0.00 0.00 81 F 8.08 4.05 0.00 3.20 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 82 Y 7.93 4.52 0.00 2.81 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 83 H 7.96 4.34 0.00 3.25 3.11 0.00 5.75 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 84 P 0.00 3.71 0.00 0.87 0.49 0.00 2.75 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 0.84 1.40 0.00 85 N 8.15 4.83 0.00 2.78 2.76 0.00 0.00 6.59 7.68 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 86 V 7.41 4.68 2.25 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 1.11 0.00 0.00 1.20 0.00 0.00 87 Y 8.55 4.74 0.00 3.12 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 88 P 0.00 4.40 0.00 2.26 2.20 0.00 3.84 0.00 0.00 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.21 0.00 89 S 8.10 4.16 0.00 4.00 4.02 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 90 G 8.65 4.59 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 91 T 7.97 4.31 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 92 I 8.06 4.52 1.69 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.46 0.82 0.00 0.00 93 C 8.59 4.51 0.00 2.85 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 94 L 8.22 4.50 0.00 1.62 1.42 0.89 0.84 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 95 S 9.15 4.47 0.00 4.16 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 0.00 96 I 7.88 3.84 1.99 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 1.45 0.86 0.94 0.00 0.00 97 L 8.03 4.48 0.00 1.74 1.60 0.79 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 98 N 7.73 4.80 0.00 2.73 2.89 0.00 0.00 6.88 7.65 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 99 E 8.91 4.15 0.00 2.18 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 2.29 2.37 0.00 100 D 8.61 4.89 0.00 2.80 2.75 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 0.00 0.00 0.00 101 Q 8.93 4.40 0.00 2.25 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.69 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 102 D 6.05 4.86 0.00 2.80 2.70 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 0.00 103 W 8.02 4.54 0.00 3.45 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 0.00 104 R 6.73 4.22 0.00 1.42 1.41 0.00 3.06 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.62 0.00 105 P 0.00 4.15 0.00 1.88 2.10 0.00 3.49 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 1.96 2.19 0.00 106 A 7.44 3.98 1.14 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 0.00 0.00 107 I 6.81 3.71 1.24 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 1.20 0.22 1.01 0.00 0.00 108 T 8.95 4.77 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 1.29 0.00 0.00 109 L 8.89 3.89 0.00 1.67 1.74 0.57 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 110 K 8.35 4.07 0.00 1.98 1.87 0.00 1.71 0.00 0.00 1.78 0.00 0.00 2.86 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.47 1.44 7.81 111 Q 8.08 4.05 0.00 2.33 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 112 I 7.71 3.69 2.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.96 0.79 0.00 0.00 113 V 8.28 3.69 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 0.75 0.00 0.00 1.03 0.00 0.00 114 L 8.19 4.34 0.00 1.75 1.72 0.85 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 115 G 8.00 3.56 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 0.00 116 V 7.89 3.52 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 0.64 0.00 0.00 0.78 0.00 0.00 117 Q 8.59 4.12 0.00 2.54 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.57 0.00 0.00 0.00 0.00 0.00 2.45 2.61 0.00 118 D 8.23 4.33 0.00 2.79 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 0.00 119 L 7.82 4.00 0.00 1.89 1.64 0.97 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 120 L 6.98 2.94 0.00 0.96 0.13 0.84 0.62 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 0.00 121 D 7.56 4.92 0.00 2.66 2.72 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 0.00 122 S 7.45 4.66 0.00 3.87 3.75 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 0.00 0.00 0.00 123 P 0.00 4.29 0.00 0.93 1.12 0.00 3.37 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 1.56 0.00 124 N 9.53 4.67 0.00 2.78 2.84 0.00 0.00 6.74 7.56 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 0.00 125 P 0.00 4.38 0.00 2.16 2.24 0.00 3.88 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.04 0.00 126 N 8.62 4.68 0.00 2.82 2.88 0.00 0.00 6.73 8.43 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 0.00 127 S 7.63 4.59 0.00 3.80 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 0.00 128 P 0.00 4.65 0.00 2.01 1.61 0.00 3.74 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.81 0.00 129 A 8.61 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 Q 7.97 4.45 0.00 2.34 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.84 0.00 0.00 0.00 0.00 0.00 2.26 2.42 0.00 131 E 8.93 4.10 0.00 2.15 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 2.46 2.45 0.00 132 P 0.00 4.36 0.00 2.48 2.40 0.00 3.74 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.13 0.00 133 A 7.77 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 W 8.02 4.15 0.00 3.71 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 0.00 135 R 8.34 4.03 0.00 2.11 2.25 0.00 3.15 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.76 0.00 136 S 8.48 4.20 0.00 4.41 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 0.00 137 F 8.39 3.48 0.00 2.18 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 0.00 138 S 8.25 4.49 0.00 4.13 4.01 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 0.00 139 R 8.17 4.55 0.00 1.89 1.97 0.00 3.35 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 140 N 8.32 5.02 0.00 2.71 2.69 0.00 0.00 6.65 6.40 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 0.00 141 K 8.15 3.86 0.00 1.73 1.72 0.00 1.23 0.00 0.00 1.15 0.00 0.00 3.29 0.00 0.00 2.51 0.00 0.00 0.00 0.00 1.37 1.72 7.81 142 A 7.98 4.02 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 0.00 143 E 8.12 3.84 0.00 2.16 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 0.00 2.39 2.34 0.00 144 Y 8.19 4.10 0.00 3.13 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 0.00 145 D 8.79 4.28 0.00 2.67 2.69 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 0.00 146 K 8.00 3.79 0.00 1.83 1.87 0.00 1.57 0.00 0.00 1.50 0.00 0.00 2.83 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.31 1.35 7.81 147 K 7.74 3.54 0.00 1.37 1.22 0.00 1.11 0.00 0.00 0.99 0.00 0.00 2.18 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.30 0.45 7.81 148 V 7.19 2.76 1.62 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 -0.58 0.00 0.00 0.11 0.00 0.00 149 L 7.86 3.80 0.00 1.70 1.59 0.86 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 150 L 7.73 3.94 0.00 1.62 1.56 0.79 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 8.18 3.85 0.00 1.80 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 152 A 7.78 4.53 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 0.00 0.00 0.00 0.00 0.00 153 K 7.95 4.05 0.00 1.96 1.82 0.00 1.63 0.00 0.00 1.53 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.58 7.81 154 Q 7.93 3.85 0.00 1.95 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.42 0.00 0.00 0.00 0.00 0.00 1.43 2.07 0.00 155 Y 7.95 4.82 0.00 3.23 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 S 7.95 4.57 0.00 4.07 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 0.00 157 K 8.55 4.20 0.00 1.72 1.69 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.35 7.81