NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.1028 8.0549 120.3924 62.4249 32.5836 175.1460 2 L 4.0049 8.3316 127.5212 52.5258 42.3382 176.0617 3 S 4.5041 9.0364 118.1198 57.7273 66.2312 174.8724 4 E 4.2560 8.8461 122.8134 59.5075 29.3768 179.0443 5 G 3.6975 8.1564 105.2463 48.0098 0.0000 175.3296 6 E 3.9346 8.1811 121.0223 58.8856 29.3519 179.4840 7 W 4.4174 8.2649 119.0915 59.9548 28.9969 178.6358 8 Q 4.1858 8.5664 118.1659 58.8607 27.9956 178.6874 9 L 4.0436 7.9082 119.7766 57.7066 41.7465 179.7244 10 V 3.7770 7.8305 117.8473 66.2360 31.5943 178.2066 11 L 4.2375 8.5412 119.0356 58.0195 41.2164 179.1959 12 H 4.3123 8.5882 116.2645 58.5671 29.0497 177.8305 13 V 3.8460 7.8924 121.4507 64.4270 31.4247 178.3508 14 W 3.9013 8.4644 128.5687 59.9690 30.2774 177.7588 15 A 4.0601 8.0502 120.2585 54.9610 18.0390 179.3922 16 K 3.9929 7.7726 116.7844 59.1912 32.1941 179.4477 17 V 2.7273 7.2818 118.0566 65.8595 31.0072 177.2727 18 E 4.0624 7.5823 114.6696 57.4885 29.3499 178.4072 19 A 4.2108 7.4793 121.5342 54.3785 19.6616 177.7958 20 D 4.7009 7.8959 115.5223 52.2653 43.2119 175.7792 21 V 3.5580 7.8699 123.8763 64.1753 31.7987 178.2163 22 A 4.0354 8.0224 121.0306 54.9308 18.4108 179.5811 23 G 3.6245 8.2253 105.4284 47.7551 0.0000 175.5850 24 H 4.1479 8.1919 118.7351 58.3863 28.7050 178.1607 25 G 3.5871 8.3697 107.8741 47.7402 0.0000 175.6768 26 Q 3.9037 8.0525 120.3895 58.8803 28.8029 178.6108 27 D 4.3115 7.8126 119.4413 57.4913 40.7746 179.2239 28 I 3.6509 7.7125 119.9543 64.3880 37.1118 178.5354 29 L 3.4224 7.7135 119.7414 57.5338 41.2506 179.6875 30 I 3.6272 7.5703 119.6789 64.3014 37.0523 178.3588 31 R 3.7836 7.8895 119.4855 59.2320 29.8116 178.1203 32 L 3.8682 7.8452 120.1517 58.4329 41.9671 179.1328 33 F 4.5508 7.8801 117.6603 60.4054 38.5423 178.0240 34 K 3.9866 8.1978 117.8317 59.6681 32.0371 179.4123 35 S 4.2888 8.2459 114.5022 60.3103 64.0684 174.4326 36 H 4.6329 8.1490 118.4905 51.8443 29.6933 171.6584 37 P 4.7145 0.0000 0.0000 64.6609 31.2532 177.4818 38 E 4.1119 8.2465 116.1413 59.5231 29.2301 179.1927 39 T 3.7975 7.9974 110.9206 64.5113 68.8000 176.3195 40 L 3.7585 8.0269 122.8185 57.8410 41.7857 178.6469 41 E 4.1437 7.8730 117.6174 58.7051 29.4213 178.8536 42 K 4.4196 8.0033 117.6557 57.3846 32.9063 177.6441 43 F 4.5740 8.1503 119.0337 55.7170 38.5339 175.8982 44 D 4.4316 8.4388 124.1039 56.9136 41.1259 178.4565 45 R 3.8317 7.9068 118.4492 58.2067 30.3245 176.6523 46 F 5.0612 7.6884 113.6296 56.7867 40.7987 176.5762 47 K 4.1210 8.1835 119.8991 58.7636 32.4572 177.8847 48 H 4.3251 8.1033 114.7874 57.7193 28.9002 175.4798 49 L 4.1520 7.5317 121.1211 54.8222 41.3901 176.8540 50 K 4.2403 9.2848 124.8476 57.8950 32.9871 177.4036 51 T 4.7458 7.3205 107.4500 58.8080 73.3393 174.2264 52 E 3.9093 8.6628 120.9769 59.2647 29.6501 178.5463 53 A 3.9792 7.9562 120.3443 55.3278 18.2875 179.3092 54 E 3.9386 7.7965 115.2677 59.7198 29.6576 179.2030 55 M 4.1727 8.0554 118.7357 58.4653 31.8434 179.0292 56 K 3.9511 8.3697 117.4484 59.0200 32.2831 178.5652 57 A 4.4828 7.7163 118.8610 52.1830 19.2463 177.7316 58 S 4.2748 7.4703 112.9805 57.7869 62.9900 174.3691 59 E 4.0424 8.7790 130.3451 59.3242 29.3372 178.7824 60 D 4.4537 8.1286 117.9138 57.2689 41.3943 177.8745 61 L 3.3086 8.1170 120.9445 57.6318 41.9961 178.7286 62 K 3.8321 7.8909 119.2391 59.5213 32.1445 178.7592 63 K 3.9699 8.1232 118.6509 59.9203 31.9368 178.8303 64 H 4.4544 8.4840 118.5366 59.0659 29.8285 177.3349 65 G 3.6673 8.2711 107.8244 47.8993 0.0000 175.7135 66 V 3.6249 7.8224 120.5837 66.0047 31.5675 178.1858 67 T 3.9059 7.8801 115.4178 66.6210 68.2490 176.7775 68 V 3.6098 8.1028 120.3489 66.2261 31.6312 178.1975 69 L 4.2930 8.1367 118.6531 58.0361 41.4281 179.7000 70 T 4.0500 8.3064 115.8310 66.4318 68.4263 176.6834 71 A 3.9893 8.0737 122.7883 55.0652 18.3790 179.4552 72 L 3.7124 8.2707 119.2051 58.0834 42.1417 179.3073 73 G 3.1937 8.5467 105.8918 47.7147 0.0000 175.4962 74 A 3.9676 7.8240 122.0948 54.7154 18.7421 179.6217 75 I 3.6387 7.2693 117.8794 64.5237 37.1858 178.6282 76 L 3.8967 7.6363 119.9141 57.6823 41.1435 179.7392 77 K 3.9445 7.5747 117.2025 58.6195 32.2549 178.8062 78 K 3.9182 7.6639 117.5867 56.0489 32.6443 176.5907 79 K 2.0000 8.0629 118.5112 56.3567 29.8061 175.4518 80 G 3.9795 7.7199 105.7676 45.7165 0.0000 173.6246 81 H 4.5627 7.3512 119.0869 55.4140 27.7273 174.9491 82 H 5.3139 7.1725 110.4159 54.5334 29.7085 176.3453 83 E 3.9442 8.4876 122.2851 60.2270 29.0542 178.5699 84 A 4.0342 7.8986 118.5753 55.3113 17.5104 179.0187 85 E 4.0800 8.1159 116.6237 59.2207 29.6548 178.9886 86 L 4.3401 8.1473 120.4687 57.5335 42.1532 178.6274 87 K 3.8942 7.9415 118.6217 59.3228 32.0990 177.3860 88 P 4.3599 0.0000 0.0000 65.6700 31.3303 178.4668 89 L 4.0650 7.5801 116.1466 57.6531 41.6244 179.0637 90 A 4.2308 8.5856 121.0773 55.3871 18.2863 179.5147 91 Q 3.9330 8.1779 118.1620 59.3194 29.1088 178.5679 92 S 3.9945 8.0819 115.3422 61.8741 63.1421 176.0910 93 H 4.2663 8.6110 119.3444 57.5869 28.2550 177.7362 94 A 2.7393 7.8288 122.2725 54.6935 18.4756 179.0252 95 T 3.9268 7.4581 112.1444 65.0754 69.2462 176.3423 96 K 4.0395 7.4370 119.9108 59.0245 32.7867 177.3855 97 H 4.2480 8.0112 114.9737 56.4105 29.3539 175.6458 98 K 3.2395 7.4669 117.0890 57.0006 28.5719 174.7547 99 I 4.3073 8.2022 118.4767 58.7342 38.6113 174.9373 100 P 4.6027 0.0000 0.0000 62.0874 32.0547 177.7444 101 I 3.6692 8.5727 122.1738 64.4543 36.8712 178.5443 102 K 3.6964 8.0084 119.9483 60.0471 31.8167 178.1618 103 Y 4.1834 7.8342 116.2585 60.8268 37.7871 178.0972 104 L 4.1469 7.8509 119.6549 57.5449 41.7808 179.0983 105 E 3.9883 8.3323 119.1862 59.2989 29.3735 179.3006 106 F 4.5412 7.8238 117.8829 60.8069 38.9186 177.6305 107 I 3.8402 8.0521 118.2553 64.0006 37.7449 178.0733 108 S 4.2385 8.2350 116.2919 61.7007 62.6963 176.4598 109 E 4.0606 8.4964 120.9822 59.3807 29.2009 179.3273 110 A 4.0243 8.1614 120.7569 55.1213 18.4748 179.6892 111 I 3.6548 8.1602 118.6406 64.6919 37.1764 178.6880 112 I 3.8253 7.9680 120.5274 64.7214 36.9922 178.0003 113 H 4.1180 8.4329 119.0283 59.2683 29.6464 177.5375 114 V 3.6343 7.7260 121.3842 65.4587 31.3386 178.0329 115 L 3.7663 7.7563 118.7588 57.7540 41.0208 178.9479 116 H 4.4149 8.0509 117.8378 59.2956 29.8004 177.2554 117 S 4.1847 8.0462 116.0226 61.6412 62.7972 176.6732 118 R 3.9485 8.0583 121.1143 57.5555 31.3239 176.7154 119 H 5.0609 8.1991 114.5739 53.8269 29.1420 172.9260 120 P 4.3851 0.0000 0.0000 65.4635 31.8424 178.7709 121 G 3.7519 8.1488 107.2179 47.8340 0.0000 173.7301 122 D 4.9614 8.2206 116.4137 53.7331 42.7171 175.5488 123 F 4.9091 8.0130 119.8970 56.7109 39.7285 174.7128 124 G 3.8842 7.7227 108.4536 44.1035 0.0000 172.1688 125 A 3.8883 8.4057 120.6501 55.3307 18.4050 179.7295 126 D 4.2023 7.9571 116.6179 57.4544 40.9245 178.7697 127 A 3.9140 7.7307 120.7441 55.0760 18.4183 179.2825 128 Q 2.9289 7.7262 118.3877 58.7697 28.9831 178.6184 129 G 3.5434 7.9350 106.5243 47.7852 0.0000 175.5082 130 A 3.8421 7.9101 123.3415 54.9227 18.2890 179.4299 131 M 4.0075 8.2190 116.8908 58.6910 32.3519 177.7951 132 N 4.2903 8.5636 117.6955 56.7003 39.1319 176.6329 133 K 3.8431 8.1521 120.6811 59.4157 32.2682 178.5963 134 A 3.8336 7.9654 121.0251 55.2128 18.3103 179.6968 135 L 4.1843 8.3061 117.7764 57.8043 41.5721 179.5697 136 E 3.9750 8.6881 119.2407 59.2396 29.3716 179.0771 137 L 3.9627 8.0617 120.3634 58.0166 42.0971 178.4621 138 F 4.4099 8.3587 120.5766 61.8832 39.2341 177.4238 139 R 3.5442 8.1452 117.3523 58.7635 29.7892 179.0318 140 K 3.8510 8.2931 119.7396 59.7607 32.2883 178.7078 141 D 4.3981 8.2761 119.1595 57.2834 40.7175 178.8606 142 I 3.4817 7.8666 120.3742 64.1398 37.1456 178.2120 143 A 3.7757 8.0469 121.7558 55.0540 18.2562 179.5532 144 A 3.9615 7.9561 119.1785 55.2705 18.3978 180.0836 145 K 4.0083 8.1603 117.0042 59.6450 32.0737 178.8952 146 Y 4.5270 8.5063 117.5758 61.5687 37.8134 179.2948 147 K 4.0698 8.1184 118.5600 59.5217 31.9078 179.3002 148 E 4.0392 7.9530 117.5495 59.2479 29.5031 178.7427 149 L 4.3602 8.0493 116.7909 55.1505 41.9468 177.5890 150 G 3.8941 7.9778 106.8928 45.7615 0.0000 172.3605 151 Y 4.8076 8.0090 120.3711 55.0917 40.8859 175.4287 152 Q 3.8006 8.5156 126.5899 57.8609 29.2672 176.7461 153 G 3.7600 5.7759 110.5469 45.6882 0.0000 173.0707 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 V 8.05 4.10 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 1.06 0.00 0.00 0.95 0.00 0.00 2 L 8.33 4.00 0.00 1.03 0.65 0.60 -0.61 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 3 S 9.04 4.50 0.00 4.04 3.97 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 4 E 8.85 4.26 0.00 2.20 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 2.43 2.52 0.00 5 G 8.16 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 6 E 8.18 3.93 0.00 1.97 1.69 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 2.20 2.25 0.00 7 W 8.26 4.42 0.00 3.57 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 8.57 4.19 0.00 2.31 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.69 2.63 0.00 9 L 7.91 4.04 0.00 1.88 1.74 0.88 1.04 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 10 V 7.83 3.78 2.48 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 1.18 0.00 0.00 0.95 0.00 0.00 11 L 8.54 4.24 0.00 1.81 1.75 0.94 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.59 4.31 0.00 3.25 3.44 0.00 5.85 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 13 V 7.89 3.85 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 1.13 0.00 0.00 0.99 0.00 0.00 14 W 8.46 3.90 0.00 3.72 3.17 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 15 A 8.05 4.06 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 16 K 7.77 3.99 0.00 1.53 1.63 0.00 1.69 0.00 0.00 1.54 0.00 0.00 2.92 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.57 1.59 7.81 17 V 7.28 2.73 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 0.00 0.00 0.10 0.00 0.00 0.22 0.00 0.00 18 E 7.58 4.06 0.00 2.07 1.94 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 2.32 2.28 0.00 19 A 7.48 4.21 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 20 D 7.90 4.70 0.00 2.73 2.52 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 21 V 7.87 3.56 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 0.88 0.00 0.00 0.88 0.00 0.00 22 A 8.02 4.04 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 23 G 8.23 3.62 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 0.00 0.00 0.00 24 H 8.19 4.15 0.00 3.26 3.20 0.00 5.82 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.37 3.59 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 26 Q 8.05 3.90 0.00 2.23 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.72 0.00 0.00 0.00 0.00 0.00 2.31 2.51 0.00 27 D 7.81 4.31 0.00 2.87 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 28 I 7.71 3.65 1.81 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 1.50 0.66 0.89 0.00 0.00 29 L 7.71 3.42 0.00 1.38 1.03 0.74 0.35 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 30 I 7.57 3.63 1.88 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.69 0.88 0.00 0.00 31 R 7.89 3.78 0.00 1.83 2.09 0.00 3.11 0.00 0.00 3.01 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 32 L 7.85 3.87 0.00 1.72 1.47 1.05 1.22 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 33 F 7.88 4.55 0.00 3.03 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 8.20 3.99 0.00 1.75 1.82 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.57 7.81 35 S 8.25 4.29 0.00 3.66 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 36 H 8.15 4.63 0.00 2.82 2.78 0.00 5.64 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.71 0.00 2.15 2.11 0.00 3.82 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.99 0.00 38 E 8.25 4.11 0.00 2.30 2.29 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 2.22 2.52 0.00 39 T 8.00 3.80 4.43 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 0.91 0.00 0.00 40 L 8.03 3.76 0.00 1.39 1.76 -0.17 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.87 4.14 0.00 2.22 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 2.39 2.55 0.00 42 K 8.00 4.42 0.00 1.93 1.78 0.00 1.96 0.00 0.00 1.75 0.00 0.00 3.13 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.78 2.00 7.81 43 F 8.15 4.57 0.00 3.36 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 44 D 8.44 4.43 0.00 2.63 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 R 7.91 3.83 0.00 1.45 1.18 0.00 2.95 0.00 0.00 2.77 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.26 0.00 46 F 7.69 5.06 0.00 2.93 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 K 8.18 4.12 0.00 1.88 2.23 0.00 1.63 0.00 0.00 1.79 0.00 0.00 3.08 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.56 1.40 7.81 48 H 8.10 4.33 0.00 3.30 3.48 0.00 5.53 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.53 4.15 0.00 1.59 1.59 0.90 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.28 4.24 0.00 1.80 1.85 0.00 1.65 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.54 7.81 51 T 7.32 4.75 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 52 E 8.66 3.91 0.00 2.04 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 2.36 2.36 0.00 53 A 7.96 3.98 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 54 E 7.80 3.94 0.00 2.11 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 0.00 2.35 2.35 0.00 55 M 8.06 4.17 0.00 2.07 2.26 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 2.76 2.58 0.00 56 K 8.37 3.95 0.00 1.87 1.85 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.44 1.58 7.81 57 A 7.72 4.48 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 58 S 7.47 4.27 0.00 3.97 3.92 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 0.00 0.00 0.00 59 E 8.78 4.04 0.00 2.09 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 2.41 2.38 0.00 60 D 8.13 4.45 0.00 2.93 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 61 L 8.12 3.31 0.00 1.39 1.61 -0.10 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.89 3.83 0.00 1.88 1.98 0.00 1.68 0.00 0.00 1.77 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.46 7.81 63 K 8.12 3.97 0.00 2.17 1.94 0.00 1.86 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.60 7.81 64 H 8.48 4.45 0.00 3.60 3.52 0.00 5.80 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.27 3.67 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 0.00 0.00 0.00 66 V 7.82 3.62 2.28 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 1.05 0.00 0.00 0.98 0.00 0.00 67 T 7.88 3.91 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 68 V 8.10 3.61 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 1.22 0.00 0.00 0.95 0.00 0.00 69 L 8.14 4.29 0.00 1.82 1.89 0.87 0.82 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 70 T 8.31 4.05 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 71 A 8.07 3.99 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 L 8.27 3.71 0.00 1.77 1.86 0.56 1.22 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 73 G 8.55 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 0.00 0.00 0.00 74 A 7.82 3.97 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 75 I 7.27 3.64 1.56 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.95 0.43 0.00 0.00 76 L 7.64 3.90 0.00 1.34 1.55 -0.12 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.57 3.94 0.00 1.75 1.76 0.00 1.65 0.00 0.00 1.68 0.00 0.00 3.08 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.41 1.47 7.81 78 K 7.66 3.92 0.00 1.80 1.76 0.00 1.71 0.00 0.00 1.57 0.00 0.00 3.00 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.58 1.70 7.81 79 K 8.06 2.00 0.00 1.19 0.74 0.00 1.39 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.55 1.04 7.81 80 G 7.72 3.98 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 0.00 81 H 7.35 4.56 0.00 3.15 3.21 0.00 5.81 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 82 H 7.17 5.31 0.00 3.22 3.38 0.00 5.66 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.49 3.94 0.00 2.11 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 2.40 2.48 0.00 84 A 7.90 4.03 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 85 E 8.12 4.08 0.00 2.20 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 2.35 2.40 0.00 86 L 8.15 4.34 0.00 2.11 1.73 1.17 0.53 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 87 K 7.94 3.89 0.00 2.02 1.90 0.00 1.90 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.63 7.81 88 P 0.00 4.36 0.00 2.31 2.34 0.00 3.76 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.09 0.00 89 L 7.58 4.07 0.00 1.96 1.86 1.10 0.78 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 90 A 8.59 4.23 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 91 Q 8.18 3.93 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 92 S 8.08 3.99 0.00 4.01 4.11 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 0.00 0.00 0.00 0.00 93 H 8.61 4.27 0.00 3.59 3.60 0.00 5.80 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 7.83 2.74 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.46 3.93 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 1.11 0.00 0.00 96 K 7.44 4.04 0.00 1.52 1.66 0.00 1.57 0.00 0.00 1.63 0.00 0.00 3.07 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.23 1.36 7.81 97 H 8.01 4.25 0.00 3.03 3.14 0.00 5.86 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 98 K 7.47 3.24 0.00 1.76 1.69 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.09 1.21 7.81 99 I 8.20 4.31 2.09 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.99 1.13 0.00 0.00 100 P 0.00 4.60 0.00 1.82 1.76 0.00 2.81 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.84 0.00 101 I 8.57 3.67 1.80 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.92 0.85 0.00 0.00 102 K 8.01 3.70 0.00 1.68 1.71 0.00 1.73 0.00 0.00 1.96 0.00 0.00 3.37 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.74 1.25 7.81 103 Y 7.83 4.18 0.00 3.27 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 0.00 104 L 7.85 4.15 0.00 1.77 1.60 0.63 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.33 3.99 0.00 1.99 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 2.29 2.41 0.00 106 F 7.82 4.54 0.00 3.21 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 0.00 107 I 8.05 3.84 2.01 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 1.61 1.66 1.07 0.00 0.00 108 S 8.23 4.24 0.00 4.20 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 0.00 109 E 8.50 4.06 0.00 2.36 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 2.43 2.62 0.00 110 A 8.16 4.02 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 0.00 111 I 8.16 3.65 2.14 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 1.66 1.10 1.09 0.00 0.00 112 I 7.97 3.83 2.02 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 1.73 0.91 1.17 0.00 0.00 113 H 8.43 4.12 0.00 3.42 3.44 0.00 5.78 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 0.00 114 V 7.73 3.63 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 1.09 0.00 0.00 0.93 0.00 0.00 115 L 7.76 3.77 0.00 0.58 0.46 0.77 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 116 H 8.05 4.41 0.00 3.45 3.61 0.00 5.95 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 8.05 4.18 0.00 4.04 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 0.00 118 R 8.06 3.95 0.00 1.68 1.55 0.00 2.88 0.00 0.00 2.88 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.50 0.00 119 H 8.20 5.06 0.00 3.26 3.20 0.00 5.62 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.39 0.00 2.18 2.16 0.00 3.84 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 1.99 1.94 0.00 121 G 8.15 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 0.00 122 D 8.22 4.96 0.00 2.73 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 0.00 123 F 8.01 4.91 0.00 2.98 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 0.00 124 G 7.72 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 0.00 125 A 8.41 3.89 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 0.00 126 D 7.96 4.20 0.00 2.64 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 0.00 127 A 7.73 3.91 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.73 2.93 0.00 1.18 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 129 G 7.93 3.54 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 0.00 0.00 0.00 130 A 7.91 3.84 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 0.00 131 M 8.22 4.01 0.00 2.54 2.43 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.96 0.00 132 N 8.56 4.29 0.00 2.91 2.96 0.00 0.00 6.87 6.41 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 0.00 133 K 8.15 3.84 0.00 1.89 1.73 0.00 1.57 0.00 0.00 1.56 0.00 0.00 2.84 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.28 1.37 7.81 134 A 7.97 3.83 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 0.00 135 L 8.31 4.18 0.00 1.77 1.84 1.06 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.69 3.98 0.00 2.16 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 2.33 2.63 0.00 137 L 8.06 3.96 0.00 1.88 1.95 1.05 0.91 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 0.00 138 F 8.36 4.41 0.00 3.15 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 0.00 139 R 8.15 3.54 0.00 1.95 1.82 0.00 3.09 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.79 0.00 140 K 8.29 3.85 0.00 1.98 1.97 0.00 1.49 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.52 7.81 141 D 8.28 4.40 0.00 2.83 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 0.00 142 I 7.87 3.48 1.42 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 -0.06 -0.02 0.00 0.00 143 A 8.05 3.78 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 0.00 144 A 7.96 3.96 1.41 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 0.00 0.00 145 K 8.16 4.01 0.00 1.96 1.96 0.00 1.77 0.00 0.00 1.86 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.49 1.67 7.81 146 Y 8.51 4.53 0.00 3.09 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 0.00 147 K 8.12 4.07 0.00 2.01 1.88 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.69 7.81 148 E 7.95 4.04 0.00 2.21 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 2.54 0.00 149 L 8.05 4.36 0.00 1.85 1.74 1.04 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 150 G 7.98 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 0.00 0.00 0.00 151 Y 8.01 4.81 0.00 2.57 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 0.00 152 Q 8.52 3.80 0.00 1.74 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.68 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 153 G 5.78 3.76 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 0.00 0.00 0.00