NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.2986 8.1749 117.3722 63.4712 69.8880 172.9892 4 I 4.2010 7.9018 125.5483 57.9883 39.6093 173.5627 5 N 4.1649 9.4257 122.0046 53.3535 39.7686 172.6766 6 P 4.2133 0.0000 0.0000 63.4479 31.8602 175.8067 7 T 4.1683 8.2503 119.8742 62.6412 69.7386 175.5895 8 N 4.6293 8.0504 124.7659 52.4941 37.4508 174.8430 9 Y 4.2028 7.9598 123.6708 60.6578 38.3468 177.6932 10 T 3.8994 7.8975 116.5439 66.4110 68.5781 176.3151 11 L 3.9436 7.8120 121.7909 58.0484 42.2055 178.4077 12 L 3.9871 8.0288 120.3318 58.2734 41.9614 179.1800 13 K 4.0404 8.5026 118.6906 59.2300 31.9675 179.3289 14 K 3.9659 7.9823 119.5132 59.6508 32.1814 178.9912 15 Q 4.0067 8.6028 118.6118 58.6972 28.5895 178.5492 16 A 3.9570 8.3967 121.9367 55.1320 18.3695 179.4213 17 A 3.9375 7.9643 119.2463 55.5199 18.2291 180.0498 18 S 4.0510 7.8430 112.3036 61.6091 62.9965 176.2367 19 L 4.1360 8.2462 122.3802 57.6040 42.0408 178.2103 20 I 4.3027 7.4718 110.3254 59.3484 37.9057 174.7369 21 E 3.9472 7.2986 121.7969 58.3445 29.6750 176.7102 22 D 4.6065 8.8294 123.6379 54.7310 38.7448 173.2841 23 E 4.7620 8.1022 118.8492 55.2399 31.1737 175.6310 24 H 4.6903 8.4912 115.9088 54.6474 31.2917 173.6104 25 H 4.1818 8.1831 119.3309 55.9908 30.1650 174.6420 26 M 3.8686 8.5296 128.5750 59.0800 32.0747 178.0322 27 I 3.6254 7.4743 118.8979 64.2318 37.3198 178.1912 28 A 4.0081 8.1844 121.2216 55.0313 18.2104 179.5186 29 I 3.6016 7.9059 118.4187 64.6901 37.2570 178.7504 30 L 3.5049 8.0134 119.9797 57.5152 41.1423 179.7700 31 S 4.0840 8.1497 115.1804 61.8339 62.8159 176.4569 32 N 4.3354 8.2421 118.9720 56.7103 38.3064 177.5159 33 M 4.1678 8.4909 120.6338 58.2211 32.0244 178.9385 34 S 4.1682 8.4398 114.5435 61.2354 63.0457 176.5671 35 A 3.8986 7.7770 124.5205 54.8411 17.9678 179.2956 36 L 3.8860 7.8481 117.6575 58.3214 42.5267 178.9311 37 L 4.1561 8.0618 118.9093 57.7997 41.3572 178.9496 38 N 4.3184 7.9822 115.9195 56.7697 39.0009 176.2524 39 D 4.5807 8.3069 118.6222 55.7808 41.0525 176.5999 40 N 4.9190 7.6936 114.1946 52.3693 39.8780 173.8011 41 L 4.5908 7.7827 118.5818 52.8719 43.9864 175.7024 42 D 4.6624 8.5242 122.9760 53.7352 42.6504 174.8692 43 Q 3.5414 8.5230 118.3115 57.2709 26.0980 173.6598 44 I 4.6779 7.7195 108.4556 59.1878 40.6206 174.1287 45 N 4.9301 9.1849 119.9433 54.6163 40.9673 174.8659 46 W 5.3642 8.0974 126.3147 56.1206 35.0216 174.0506 47 V 4.8678 7.9272 125.7691 60.7607 34.2769 174.5324 48 G 3.5181 8.5214 112.3050 45.6541 0.0000 171.5096 49 F 5.7233 8.8470 117.2766 55.9715 43.4018 174.0744 50 Y 5.1215 8.9964 118.0412 56.2951 41.6872 174.6083 51 L 5.2271 9.1631 122.2440 52.7998 45.1438 175.6482 52 L 4.7729 8.4713 125.4807 54.7511 42.3453 175.9985 53 E 4.7029 9.5129 125.7979 56.0099 33.7025 175.3382 54 Q 3.4099 9.6625 118.3406 57.0970 26.5256 173.5221 55 N 4.2725 8.9785 110.6691 53.9756 37.4215 172.3889 56 E 4.7182 8.1595 113.3223 55.1045 33.9286 173.0937 57 L 5.0924 8.8428 120.1493 53.5614 43.5825 176.1066 58 I 4.9843 9.0564 124.8981 58.8809 40.1689 174.8909 59 L 3.4423 8.8101 129.0624 56.1756 42.3635 176.4791 60 G 4.4848 8.2903 113.3436 43.9734 0.0000 170.1339 61 P 4.5672 0.0000 0.0000 63.5806 32.3359 175.6213 62 F 4.8491 7.7402 116.2704 56.2034 40.9593 172.9662 63 Q 4.1881 9.7755 118.8598 53.5858 31.0819 176.0819 64 G 3.9129 8.0556 112.3875 45.7479 0.0000 171.4792 65 H 4.9332 8.5040 118.7371 53.8347 30.2449 173.2091 66 P 4.5269 0.0000 0.0000 63.4120 31.5871 175.6591 67 A 4.6795 8.0359 122.9860 49.7533 22.2885 175.5627 68 C 4.2465 8.2966 116.8772 60.3955 28.9399 174.5813 69 V 3.9551 8.5627 123.1772 65.4149 32.4852 175.1873 70 H 5.4120 8.2274 115.8565 54.0842 30.9579 174.4912 71 I 4.4656 8.6911 123.0041 58.7791 40.4952 173.4062 72 P 4.6786 0.0000 0.0000 61.9196 32.6821 176.4330 73 I 3.8057 8.2713 123.2973 63.0814 37.4092 176.9722 74 G 3.8778 8.7534 111.9013 45.3961 0.0000 172.7828 75 K 4.2390 7.9760 122.2892 55.3745 33.3604 177.5939 76 G 4.2133 8.6719 116.0976 44.9369 0.0000 173.7350 77 V 2.8098 7.8625 116.4072 65.9637 31.1768 178.1407 78 C 4.0982 7.7355 116.0488 62.7375 28.1591 176.1085 79 G 4.0404 7.7614 108.1174 47.6865 0.0000 175.6705 80 T 4.4831 8.6008 119.2237 65.4956 68.4523 176.8631 81 A 4.1362 7.7551 122.7329 55.2858 18.1944 179.9718 82 V 3.6844 7.3913 109.9718 63.7724 32.0719 178.1943 83 S 4.2839 8.0105 113.6312 61.1113 63.1894 176.1867 84 E 4.0952 8.3192 119.4713 56.4394 29.6622 176.5098 85 R 4.0360 8.2273 116.2412 57.0147 27.7028 176.2440 86 R 4.8133 7.7687 113.7059 54.4617 34.4221 175.4957 87 T 4.2657 8.5478 117.5036 64.2377 69.4064 173.4729 88 Q 4.6165 9.2620 124.6334 54.1461 31.5537 174.7395 89 V 4.3881 8.6001 124.4389 61.2745 33.3596 174.8477 90 V 4.3351 8.8477 129.9405 61.1399 32.2666 176.1889 91 A 4.1548 8.7943 131.3087 54.6413 19.8937 176.1948 92 D 4.8701 8.0432 115.0886 53.1648 42.5012 175.6543 93 V 3.7534 9.1908 122.6094 64.6209 31.9408 178.6744 94 H 4.2459 8.3494 118.7334 59.2009 29.7118 176.3044 95 Q 4.1630 8.2968 117.0774 57.3096 28.9410 176.1720 96 F 3.9492 7.7146 121.0896 57.1831 39.7355 174.1641 97 K 3.4080 7.8144 129.0367 58.0266 31.7956 173.1753 98 G 3.7460 10.2393 120.1474 46.1154 0.0000 171.3731 99 H 4.8898 8.0907 120.1818 54.9071 32.9278 174.8521 100 I 4.3027 8.1142 122.3600 60.3441 38.6011 172.4055 101 A 3.7425 7.8479 129.8132 51.9733 17.1646 176.6841 102 C 4.1385 8.6275 121.5847 61.5538 32.0716 173.6380 103 D 4.7579 7.6580 117.5413 51.8649 43.1776 174.6547 104 A 4.1422 8.8545 129.8354 55.7290 18.6801 179.1797 105 N 4.7683 7.7701 110.0858 53.7143 37.8147 174.7184 106 S 4.7612 8.0259 114.5978 56.6350 63.0128 172.9012 107 K 4.5815 9.6809 127.6968 57.0612 34.2156 176.5932 108 S 5.2547 7.7496 112.5168 56.8686 66.9306 172.5317 109 E 5.2845 8.9486 119.4976 55.5320 33.6312 173.6483 110 I 4.9443 8.2223 124.4442 59.1063 41.7968 174.0303 111 V 4.7729 8.8052 128.5179 61.0540 34.7012 174.0271 112 V 4.8011 8.5104 128.0365 60.1494 33.7779 173.0085 113 P 4.8140 0.0000 0.0000 63.0096 32.4101 175.5266 114 I 4.7822 8.8959 123.1686 59.8319 39.3543 174.7897 115 F 5.4293 9.7159 125.7944 55.8350 42.1791 175.4577 116 K 4.4380 9.0519 121.9613 56.3648 34.9095 175.9921 117 D 4.5423 9.5975 126.7584 55.7919 38.2517 174.0361 118 D 4.6064 8.5664 114.3180 54.7227 38.8784 173.9124 119 K 4.7447 7.8388 119.1817 54.2251 34.4122 175.8197 120 I 3.6321 8.1427 124.1733 61.2329 37.6249 175.9493 121 I 4.3744 9.6796 116.8315 59.4879 38.8652 175.3014 122 G 4.4436 6.8338 106.6874 47.0893 0.0000 171.4515 123 V 5.1247 8.0575 111.4011 59.7382 36.7619 174.3017 124 L 4.7326 9.0408 125.9521 53.9145 43.8199 174.7049 125 D 5.3637 9.3375 125.7952 52.5670 44.4834 174.2946 126 I 5.3865 8.5876 126.1240 59.7049 41.1687 174.1568 127 D 5.7723 9.4384 125.6584 51.5810 43.1247 174.5281 128 A 5.2861 9.3465 120.3427 49.5374 22.6256 175.3726 129 P 4.7680 0.0000 0.0000 63.1783 31.9660 176.2495 130 I 4.6610 7.1935 111.8096 58.8498 40.5143 175.1738 131 T 4.1856 8.2932 111.4946 62.2011 69.5929 173.2602 132 D 4.4121 8.5732 119.8448 55.5429 39.0908 175.6384 133 R 3.7953 7.8021 120.0930 58.3417 30.5034 176.2422 134 F 5.1858 7.8242 115.2917 55.5896 41.0134 174.2319 135 D 5.1743 8.8350 123.6216 50.8617 42.3814 176.0419 136 D 4.3459 8.7111 117.4756 57.7116 40.4406 178.6679 137 N 4.2671 8.6004 117.7261 56.6711 38.9522 176.7923 138 D 4.3004 8.3696 119.9264 57.0219 40.9899 178.3116 139 K 3.8238 8.3134 120.4401 59.4672 32.3167 178.2214 140 E 3.7962 8.1552 119.4465 59.8982 29.5984 178.6560 141 H 4.1842 7.6573 115.8553 58.4441 28.6064 177.8477 142 L 4.1130 8.1268 121.4792 57.5818 41.5520 179.2536 143 E 4.0145 8.4106 118.7261 59.2086 29.3491 179.1853 144 A 4.0357 7.8931 120.5116 55.1971 18.5407 179.7478 145 I 3.7484 7.8516 118.4028 64.5161 37.0790 178.8504 146 V 3.7500 7.8722 119.2298 65.8645 31.3175 178.3035 147 K 4.1063 7.9922 118.1071 59.2129 31.6099 179.3921 148 I 3.7369 7.5370 119.6283 64.3827 37.2751 178.2375 149 I 3.8559 7.7321 120.3446 64.4892 36.8385 178.2494 150 E 4.0240 8.5993 119.8150 59.4656 28.7167 179.6308 151 K 3.9905 8.2382 118.4757 59.6517 31.9036 179.3701 152 Q 4.0214 7.7882 116.6920 58.0602 28.7354 177.6140 153 L 4.3357 7.3524 117.6602 54.6218 42.1294 176.5105 154 A 4.1881 7.4484 126.2621 52.7307 18.3255 177.2501 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 T 8.17 4.30 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 1.20 0.00 0.00 4 I 7.90 4.20 1.82 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.09 0.85 0.00 0.00 5 N 9.43 4.16 0.00 2.74 2.76 0.00 0.00 7.02 7.69 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 6 P 0.00 4.21 0.00 2.05 1.99 0.00 3.70 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 2.02 2.11 0.00 7 T 8.25 4.17 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 0.31 0.00 0.00 8 N 8.05 4.63 0.00 2.73 2.64 0.00 0.00 7.22 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 9 Y 7.96 4.20 0.00 2.86 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 10 T 7.90 3.90 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 1.23 0.00 0.00 11 L 7.81 3.94 0.00 1.84 1.81 0.92 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 12 L 8.03 3.99 0.00 1.86 1.88 0.94 0.87 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 13 K 8.50 4.04 0.00 1.92 1.89 0.00 1.77 0.00 0.00 1.64 0.00 0.00 3.10 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.55 1.79 7.81 14 K 7.98 3.97 0.00 1.94 1.98 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.49 7.81 15 Q 8.60 4.01 0.00 2.25 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.62 0.00 16 A 8.40 3.96 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 17 A 7.96 3.94 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 18 S 7.84 4.05 0.00 4.03 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.25 4.14 0.00 1.66 1.93 0.92 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.47 4.30 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 1.65 0.60 0.90 0.00 0.00 21 E 7.30 3.95 0.00 2.14 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 2.33 2.30 0.00 22 D 8.83 4.61 0.00 2.89 2.83 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 23 E 8.10 4.76 0.00 2.08 1.85 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 2.26 2.39 0.00 24 H 8.49 4.69 0.00 3.05 3.29 0.00 5.90 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 25 H 8.18 4.18 0.00 3.25 3.21 0.00 5.89 0.00 0.00 0.00 0.00 6.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 M 8.53 3.87 0.00 2.01 1.98 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.53 0.00 27 I 7.47 3.63 1.89 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 1.49 0.79 0.91 0.00 0.00 28 A 8.18 4.01 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 29 I 7.91 3.60 1.93 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.79 0.82 0.00 0.00 30 L 8.01 3.50 0.00 1.45 1.18 0.64 -0.15 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 31 S 8.15 4.08 0.00 3.99 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 N 8.24 4.34 0.00 2.81 2.86 0.00 0.00 7.15 7.10 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 33 M 8.49 4.17 0.00 2.23 2.29 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.79 0.00 34 S 8.44 4.17 0.00 4.12 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 A 7.78 3.90 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 36 L 7.85 3.89 0.00 1.64 1.74 0.92 0.96 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 37 L 8.06 4.16 0.00 1.89 1.72 0.95 0.42 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 38 N 7.98 4.32 0.00 2.78 2.95 0.00 0.00 7.32 7.76 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 39 D 8.31 4.58 0.00 2.79 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 40 N 7.69 4.92 0.00 2.76 2.71 0.00 0.00 6.75 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 41 L 7.78 4.59 0.00 1.65 1.61 1.04 1.05 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 42 D 8.52 4.66 0.00 2.57 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 43 Q 8.52 3.54 0.00 2.17 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.56 0.00 0.00 0.00 0.00 0.00 2.23 2.23 0.00 44 I 7.72 4.68 2.02 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 1.47 0.73 1.09 0.00 0.00 45 N 9.18 4.93 0.00 2.74 3.28 0.00 0.00 6.87 7.93 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 46 W 8.10 5.36 0.00 3.48 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 47 V 7.93 4.87 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 0.76 0.00 0.00 0.80 0.00 0.00 48 G 8.52 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 F 8.85 5.72 0.00 2.97 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 50 Y 9.00 5.12 0.00 3.02 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 51 L 9.16 5.23 0.00 1.68 1.56 0.98 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 52 L 8.47 4.77 0.00 1.63 1.58 0.94 0.75 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 53 E 9.51 4.70 0.00 1.98 1.77 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 2.23 2.29 0.00 54 Q 9.66 3.41 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.72 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 55 N 8.98 4.27 0.00 2.86 2.91 0.00 0.00 7.02 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 56 E 8.16 4.72 0.00 2.05 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 2.47 2.34 0.00 57 L 8.84 5.09 0.00 1.69 1.64 0.77 1.08 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 58 I 9.06 4.98 1.92 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.01 0.90 0.00 0.00 59 L 8.81 3.44 0.00 1.71 1.60 0.48 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 60 G 8.29 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 61 P 0.00 4.57 0.00 2.17 1.98 0.00 3.72 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 2.10 2.10 0.00 62 F 7.74 4.85 0.00 1.59 2.44 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 63 Q 9.78 4.19 0.00 1.75 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.91 0.00 0.00 0.00 0.00 0.00 2.08 2.40 0.00 64 G 8.06 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 0.00 0.00 0.00 0.00 65 H 8.50 4.93 0.00 3.31 3.37 0.00 5.93 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 66 P 0.00 4.53 0.00 2.13 2.14 0.00 3.78 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.29 0.00 67 A 8.04 4.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 C 8.30 4.25 0.00 2.94 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 8.56 3.96 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 0.91 0.00 0.00 0.97 0.00 0.00 70 H 8.23 5.41 0.00 3.04 3.44 0.00 5.89 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 71 I 8.69 4.47 1.62 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 1.03 0.67 0.72 0.00 0.00 72 P 0.00 4.68 0.00 2.05 1.95 0.00 3.57 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.11 0.00 73 I 8.27 3.81 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.73 0.90 0.00 0.00 74 G 8.75 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 75 K 7.98 4.24 0.00 1.84 1.80 0.00 1.63 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.38 7.81 76 G 8.67 4.21 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 0.00 77 V 7.86 2.81 1.74 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 0.69 0.00 0.00 0.11 0.00 0.00 78 C 7.74 4.10 0.00 2.65 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 79 G 7.76 4.04 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 0.00 0.00 0.00 80 T 8.60 4.48 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 81 A 7.76 4.14 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 82 V 7.39 3.68 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 0.73 0.00 0.00 0.99 0.00 0.00 83 S 8.01 4.28 0.00 4.05 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 84 E 8.32 4.10 0.00 2.02 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 2.34 2.47 0.00 85 R 8.23 4.04 0.00 2.10 2.27 0.00 3.18 0.00 0.00 3.31 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.63 0.00 86 R 7.77 4.81 0.00 1.78 1.81 0.00 3.24 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.88 0.00 87 T 8.55 4.27 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 1.26 0.00 0.00 88 Q 9.26 4.62 0.00 1.83 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.74 0.00 0.00 0.00 0.00 0.00 2.41 2.59 0.00 89 V 8.60 4.39 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 0.88 0.00 0.00 0.95 0.00 0.00 90 V 8.85 4.34 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.85 0.00 0.00 91 A 8.79 4.15 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 92 D 8.04 4.87 0.00 2.72 2.58 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 93 V 9.19 3.75 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 0.86 0.00 0.00 1.01 0.00 0.00 94 H 8.35 4.25 0.00 3.15 3.54 0.00 5.94 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 Q 8.30 4.16 0.00 2.23 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.59 0.00 0.00 0.00 0.00 0.00 2.60 2.49 0.00 96 F 7.71 3.95 0.00 2.91 2.81 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 0.00 0.00 0.00 97 K 7.81 3.41 0.00 1.38 1.40 0.00 1.66 0.00 0.00 1.58 0.00 0.00 3.00 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.29 1.41 7.81 98 G 10.24 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 0.00 0.00 0.00 99 H 8.09 4.89 0.00 3.14 3.17 0.00 5.71 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 0.00 100 I 8.11 4.30 1.85 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.91 0.90 0.00 0.00 101 A 7.85 3.74 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 0.00 102 C 8.63 4.14 0.00 2.87 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 0.00 103 D 7.66 4.76 0.00 2.52 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 0.00 104 A 8.85 4.14 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 0.00 105 N 7.77 4.77 0.00 3.03 2.87 0.00 0.00 6.47 7.03 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 0.00 106 S 8.03 4.76 0.00 3.74 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 K 9.68 4.58 0.00 1.76 1.83 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.08 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.61 7.81 108 S 7.75 5.25 0.00 4.09 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 0.00 109 E 8.95 5.28 0.00 2.06 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 2.07 2.34 0.00 110 I 8.22 4.94 1.28 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 1.36 -0.22 0.00 0.00 111 V 8.81 4.77 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 0.82 0.00 0.00 0.85 0.00 0.00 112 V 8.51 4.80 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.90 0.00 0.00 113 P 0.00 4.81 0.00 1.79 1.97 0.00 3.86 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.14 0.00 114 I 8.90 4.78 1.96 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.85 0.95 0.00 0.00 115 F 9.72 5.43 0.00 2.78 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 K 9.05 4.44 0.00 1.75 1.63 0.00 1.79 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.36 1.43 7.81 117 D 9.60 4.54 0.00 2.89 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 0.00 118 D 8.57 4.61 0.00 2.88 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 0.00 119 K 7.84 4.74 0.00 1.97 1.69 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.62 7.81 120 I 8.14 3.63 1.68 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.03 0.70 0.00 0.00 121 I 9.68 4.37 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.84 0.96 0.00 0.00 122 G 6.83 4.44 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 0.00 123 V 8.06 5.12 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 0.81 0.00 0.00 1.03 0.00 0.00 124 L 9.04 4.73 0.00 1.90 1.57 0.47 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 125 D 9.34 5.36 0.00 2.88 2.83 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 0.00 126 I 8.59 5.39 1.56 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.47 1.23 0.00 0.00 127 D 9.44 5.77 0.00 2.96 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 0.00 128 A 9.35 5.29 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 P 0.00 4.77 0.00 2.20 2.21 0.00 3.50 0.00 0.00 5.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.92 0.00 130 I 7.19 4.66 1.85 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.95 0.89 0.00 0.00 131 T 8.29 4.19 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 1.23 0.00 0.00 132 D 8.57 4.41 0.00 2.75 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 0.00 133 R 7.80 3.80 0.00 1.39 1.35 0.00 2.96 0.00 0.00 3.04 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.50 0.00 134 F 7.82 5.19 0.00 3.11 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 0.00 135 D 8.84 5.17 0.00 2.92 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 D 8.71 4.35 0.00 2.72 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 N 8.60 4.27 0.00 2.80 3.08 0.00 0.00 7.10 8.03 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 0.00 138 D 8.37 4.30 0.00 3.10 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 0.00 139 K 8.31 3.82 0.00 1.82 2.00 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.56 1.44 7.81 140 E 8.16 3.80 0.00 1.99 1.85 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 2.02 2.23 0.00 141 H 7.66 4.18 0.00 1.83 2.68 0.00 5.86 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 0.00 142 L 8.13 4.11 0.00 1.71 1.71 1.02 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 143 E 8.41 4.01 0.00 2.15 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 2.34 2.58 0.00 144 A 7.89 4.04 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 0.00 145 I 7.85 3.75 2.11 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.43 1.01 0.00 0.00 146 V 7.87 3.75 2.35 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 1.28 0.00 0.00 1.07 0.00 0.00 147 K 7.99 4.11 0.00 2.09 1.85 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.67 7.81 148 I 7.54 3.74 2.10 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 1.54 0.71 0.93 0.00 0.00 149 I 7.73 3.86 2.06 0.00 0.00 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 1.53 1.47 0.82 0.00 0.00 150 E 8.60 4.02 0.00 2.17 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 2.42 2.68 0.00 151 K 8.24 3.99 0.00 1.91 1.86 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.76 1.63 7.81 152 Q 7.79 4.02 0.00 2.10 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.84 0.00 0.00 0.00 0.00 0.00 2.51 2.61 0.00 153 L 7.35 4.34 0.00 1.56 1.69 0.86 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 154 A 7.45 4.19 1.34 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