NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3014 8.3044 120.3490 54.9366 33.3542 174.6036 2 L 3.9964 8.3187 124.7563 54.1056 42.0274 174.6926 3 T 4.1533 8.6470 121.3297 63.4435 68.8091 173.9744 4 D 4.5278 7.6873 119.9197 51.8518 43.6439 172.7425 5 P 4.1044 0.0000 0.0000 65.3848 31.1920 178.3150 6 I 3.4574 7.5860 117.6929 64.7104 37.5896 177.6051 7 A 3.9132 7.4052 121.0193 55.3708 18.1114 179.0198 8 D 4.1905 8.2156 116.3289 58.2252 41.2745 177.4965 9 M 3.7260 8.1381 117.0484 59.0695 31.8616 177.6599 10 L 3.8512 8.6159 118.5968 58.6459 41.6653 180.1770 11 T 3.6287 7.8938 115.1288 66.4512 68.3299 177.1356 12 R 4.0644 8.3238 120.6402 59.2299 30.0666 178.9728 13 I 3.6605 7.9299 119.7100 64.3142 36.9346 178.2319 14 R 3.8270 8.6612 119.4211 59.8206 30.0829 178.2803 15 N 4.3951 9.1156 114.6174 55.4524 38.7882 176.9805 16 A 4.2291 7.9120 122.8569 54.8432 18.9163 179.2303 17 T 4.5080 7.7405 109.6943 64.6470 68.4197 176.1028 18 R 3.0781 7.2617 120.7750 58.3234 30.0337 177.2444 19 V 3.9276 7.2724 108.1395 61.0235 32.6741 174.6244 20 Y 3.5642 8.2526 116.9214 58.4787 34.4142 169.1011 21 K 4.5889 7.8121 117.8423 55.4763 34.5036 177.7617 22 E 4.2394 8.7469 120.6635 59.3160 30.2266 177.0494 23 S 4.7805 7.5483 110.4113 57.1760 66.3056 173.1218 24 T 4.6101 9.0162 114.7529 60.6181 70.9482 173.2319 25 D 5.3788 8.8154 127.5309 52.6505 42.8681 175.8682 26 V 4.5755 8.4205 118.2722 60.7828 33.4705 169.2975 27 P 3.8299 0.0000 0.0000 63.2316 31.5478 176.0688 28 A 4.4711 8.1171 126.2213 50.6948 20.0657 176.9226 29 S 5.3445 8.8083 119.7767 58.6435 64.7355 179.1593 30 R 3.7740 7.7749 125.5518 58.7987 30.1211 177.8171 31 F 4.4583 8.3863 120.2112 61.5631 39.3955 176.7892 32 K 3.4598 7.7968 116.4798 59.4466 31.8324 178.9173 33 E 3.7140 8.2671 119.4043 59.4229 29.4471 178.8504 34 E 4.0369 8.1803 117.1498 59.0919 29.6874 179.3434 35 I 3.7948 7.4060 120.1816 64.2976 37.1415 178.2420 36 L 3.8018 7.7265 119.8026 57.5836 40.7540 179.3386 37 R 3.7484 8.1747 119.0362 59.8178 29.7765 178.3538 38 I 3.7398 7.9047 119.3978 64.3825 37.0727 178.2298 39 L 3.6345 7.5928 118.1468 58.0671 41.4221 179.3322 40 A 4.5506 7.6946 121.5254 54.9354 18.5932 179.5720 41 R 4.0231 7.5845 114.4941 58.9407 30.2228 177.6847 42 E 4.4224 8.4101 117.0280 56.6180 29.5683 177.3103 43 G 4.0980 8.4113 108.3185 45.2227 0.0000 175.4110 44 F 4.1961 8.5315 118.3291 59.5234 39.3653 174.7910 45 I 4.7953 7.3497 109.6171 58.7456 40.5973 176.1260 46 K 3.9676 8.7175 120.3044 57.1712 32.4431 178.6799 47 G 4.1328 7.5225 105.0242 46.8952 0.0000 170.5567 48 Y 6.0378 8.3576 115.7544 56.9033 40.6284 173.8531 49 E 4.4401 8.6339 119.0396 54.1842 33.3320 175.3018 50 R 4.6724 8.3953 119.7224 56.8133 30.9587 175.7446 51 V 4.5657 9.0714 120.8932 62.1368 36.0134 172.4100 52 D 5.8187 8.6523 122.5608 52.5722 43.7322 175.7586 53 V 4.1196 9.4627 124.4357 61.7612 32.3510 174.4937 54 D 4.5295 10.0822 126.5126 55.6320 39.6186 173.8920 55 G 4.1393 8.5344 105.7377 44.6223 0.0000 174.7128 56 K 4.6701 8.2704 119.8446 54.2346 34.7480 174.2513 57 P 4.9889 0.0000 0.0000 63.0741 32.7076 174.7638 58 Y 5.1468 10.0571 121.6471 56.1839 42.8876 174.0262 59 L 5.2089 9.2240 121.4885 53.2602 44.5009 176.2582 60 R 4.3845 8.9914 124.6520 55.4188 31.1598 175.7438 61 V 4.7069 8.7450 125.9542 61.9601 33.3903 174.2951 62 Y 4.4572 9.2331 126.7889 56.7302 38.9596 175.4019 63 L 4.3845 8.6996 125.5296 54.4146 41.3603 176.5959 64 K 4.4704 8.2466 121.6828 54.9916 35.7350 174.5007 65 Y 5.3619 8.4354 123.0487 56.5328 42.8655 174.0434 66 G 4.6208 8.6342 107.8850 44.7616 0.0000 171.8243 67 P 4.7620 0.0000 0.0000 61.8934 33.3956 175.4626 68 R 4.0467 8.3213 121.1330 56.1991 30.4155 176.6103 69 R 4.1890 8.5876 125.5009 56.2293 31.0460 175.0006 70 Q 4.5032 8.2130 118.2906 54.9002 31.6100 176.4953 71 G 3.8024 8.3072 106.2180 45.5151 0.0000 171.5645 72 P 4.4764 0.0000 0.0000 62.7441 32.9458 175.1210 73 D 4.3805 8.6403 116.6308 54.6889 38.2963 173.9355 74 P 4.4148 0.0000 0.0000 62.2350 30.6517 177.2396 75 R 4.0328 7.7380 118.3120 55.7436 30.6748 175.6361 76 P 4.5847 0.0000 0.0000 61.9719 32.1564 176.1419 77 E 4.1681 8.9027 123.7972 56.7422 30.2931 175.2742 78 Q 4.7913 8.5245 124.1981 54.5899 30.2352 176.9347 79 V 3.5595 8.1236 122.9220 65.2426 32.3230 176.0244 80 I 4.3920 7.0468 118.3470 59.6685 36.7559 175.1340 81 H 4.3185 8.6263 121.5803 58.3703 29.3524 175.3911 82 H 4.5856 8.0740 119.4933 54.1802 32.5774 172.7155 83 I 4.4502 7.5126 121.1548 60.5212 39.8095 173.1545 84 R 4.6716 8.4056 126.1560 54.1788 33.1000 174.8685 85 R 4.2364 8.5784 120.5150 57.0790 30.4005 175.9143 86 I 4.1017 8.6389 124.7091 63.2275 38.1048 176.2110 87 S 4.3328 7.7438 120.5319 57.5283 62.1178 173.5512 88 K 4.4461 8.4232 127.1312 53.9554 33.8527 173.9927 89 P 4.5181 0.0000 0.0000 63.8940 31.8284 176.5424 90 G 3.8059 8.9140 110.3493 44.9228 0.0000 173.7053 91 R 5.3618 7.1605 125.0366 56.6151 31.6126 174.3940 92 R 4.0726 7.4776 117.4546 55.5567 31.6131 177.1451 93 V 4.1906 8.2575 121.1697 61.5185 34.1799 173.5820 94 Y 5.0518 8.5335 125.5497 56.5464 39.4216 175.7345 95 V 4.5696 8.6022 115.8641 59.4864 35.5713 175.7073 96 G 4.2133 8.5143 111.6811 44.3344 0.0000 175.2831 97 V 3.6418 8.4104 119.9137 64.5820 31.5908 178.7205 98 K 3.9101 8.1687 118.6672 59.3513 31.8743 177.7286 99 E 4.2538 7.7123 114.8323 56.9323 29.4745 177.2524 100 I 3.8370 7.3562 121.6590 60.6597 37.6092 174.2351 101 P 4.5541 0.0000 0.0000 62.3162 32.3254 175.5399 102 R 4.4484 8.3388 119.1751 54.8558 31.5728 176.0012 103 V 4.1496 8.2145 122.2673 62.9025 33.6897 175.3923 104 R 3.4192 9.2440 122.7021 59.3839 26.9575 176.2113 105 R 3.5765 8.6632 113.3302 56.9726 28.9632 176.8022 106 G 3.9155 8.4409 101.5279 46.8616 0.0000 174.4261 107 L 4.6388 8.3791 115.6273 54.4086 44.9165 177.3838 108 G 4.7083 7.8791 104.9694 45.0818 0.0000 172.5549 109 I 5.0104 8.4764 111.3243 59.5890 41.7446 173.7879 110 A 5.0699 9.2066 123.5954 50.2701 22.8074 175.2405 111 I 5.7131 8.7812 120.8019 58.6673 41.1237 174.8866 112 L 5.2241 8.4318 127.6793 54.0660 44.5824 174.6016 113 S 4.7243 9.0952 113.5851 57.3391 65.2878 173.9863 114 T 5.0444 8.9133 118.9622 59.9654 71.2745 175.5686 115 S 4.2926 8.7236 114.6701 59.8560 63.3867 174.7996 116 K 4.2879 8.0057 120.1528 56.1999 32.1469 175.8427 117 G 3.7990 7.9279 106.4232 43.9692 0.0000 173.1538 118 V 4.3038 7.3809 116.5476 62.9054 31.8959 175.1505 119 L 5.0362 8.8048 126.9830 53.4805 46.9758 174.9348 120 T 4.9549 8.2715 109.5121 60.5723 70.7283 175.2704 121 D 4.4178 8.8499 125.6947 57.1957 39.0651 179.4668 122 R 3.9162 8.0891 119.4429 58.7738 30.0439 178.5051 123 E 3.9329 7.7678 116.6504 59.4347 29.4592 179.0684 124 A 4.1873 8.5603 120.8779 55.5626 18.2008 179.9127 125 R 3.8517 7.9217 114.7895 59.3532 30.2563 178.9579 126 K 4.0629 8.1888 118.5223 59.3063 32.2700 178.1411 127 L 4.2963 8.6537 118.2680 54.3372 42.0943 176.7173 128 G 3.8557 8.2747 106.9578 46.6142 0.0000 173.2930 129 V 4.5275 7.6113 110.9850 59.8759 35.9852 174.4126 130 G 4.2094 7.7421 108.1741 44.9003 0.0000 172.5589 131 G 4.4767 7.4978 102.7731 46.6117 0.0000 171.8755 132 E 4.2229 8.5356 121.3560 56.6896 30.5993 176.5023 133 L 4.3546 8.4586 128.2558 54.1046 41.5042 177.1403 134 I 3.8998 8.3917 126.4669 63.4367 38.1667 175.3622 135 C 5.0040 8.0646 113.9407 57.5684 33.2312 172.4386 136 E 4.9006 8.3436 120.0352 55.7188 31.6209 175.9309 137 V 4.6706 8.2993 120.7635 61.9588 35.7225 173.0143 138 W 5.2765 9.0388 125.5587 57.1796 28.2499 174.5294 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.30 4.30 0.00 1.99 2.04 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 L 8.32 4.00 0.00 1.73 1.58 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 3 T 8.65 4.15 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 4 D 7.69 4.53 0.00 2.68 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 0.00 0.00 0.00 0.00 5 P 0.00 4.10 0.00 2.19 1.96 0.00 3.71 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 2.15 2.21 0.00 6 I 7.59 3.46 1.80 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.73 0.73 0.00 0.00 7 A 7.41 3.91 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 8 D 8.22 4.19 0.00 2.77 2.77 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 9 M 8.14 3.73 0.00 2.26 1.95 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.60 0.00 10 L 8.62 3.85 0.00 1.59 1.66 0.81 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 11 T 7.89 3.63 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 1.18 0.00 0.00 12 R 8.32 4.06 0.00 1.96 1.97 0.00 3.15 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 13 I 7.93 3.66 2.04 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 1.39 0.86 0.91 0.00 0.00 14 R 8.66 3.83 0.00 1.72 2.03 0.00 3.21 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 15 N 9.12 4.40 0.00 2.96 2.84 0.00 0.00 7.08 7.23 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 16 A 7.91 4.23 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 17 T 7.74 4.51 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 18 R 7.26 3.08 0.00 1.85 1.91 0.00 3.17 0.00 0.00 3.14 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.53 0.00 19 V 7.27 3.93 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 0.76 0.00 0.00 0.96 0.00 0.00 20 Y 8.25 3.56 0.00 3.04 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 21 K 7.81 4.59 0.00 1.79 1.74 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.49 7.81 22 E 8.75 4.24 0.00 1.86 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 2.42 2.33 0.00 23 S 7.55 4.78 0.00 3.19 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 24 T 9.02 4.61 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 25 D 8.82 5.38 0.00 2.38 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 0.00 0.00 0.00 0.00 26 V 8.42 4.58 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 0.93 0.00 0.00 0.96 0.00 0.00 27 P 0.00 3.83 0.00 1.89 1.92 0.00 3.73 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.24 0.00 28 A 8.12 4.47 1.25 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 0.00 0.00 29 S 8.81 5.34 0.00 4.10 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 30 R 7.77 3.77 0.00 1.93 2.03 0.00 3.15 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.77 0.00 31 F 8.39 4.46 0.00 2.95 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 32 K 7.80 3.46 0.00 1.92 1.74 0.00 1.80 0.00 0.00 1.49 0.00 0.00 2.82 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.25 1.38 7.81 33 E 8.27 3.71 0.00 2.04 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 0.00 2.32 2.47 0.00 34 E 8.18 4.04 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 35 I 7.41 3.79 1.70 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.55 0.72 0.00 0.00 36 L 7.73 3.80 0.00 1.25 1.31 0.87 0.59 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 37 R 8.17 3.75 0.00 1.73 2.04 0.00 3.10 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 38 I 7.90 3.74 1.92 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 1.48 0.40 0.78 0.00 0.00 39 L 7.59 3.63 0.00 1.78 1.72 0.58 0.65 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 40 A 7.69 4.55 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 41 R 7.58 4.02 0.00 2.05 2.00 0.00 3.28 0.00 0.00 3.25 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 42 E 8.41 4.42 0.00 2.17 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 2.33 2.45 0.00 43 G 8.41 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 0.00 0.00 0.00 44 F 8.53 4.20 0.00 2.98 3.21 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 45 I 7.35 4.80 2.19 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 1.38 0.92 1.00 0.00 0.00 46 K 8.72 3.97 0.00 2.02 1.90 0.00 1.85 0.00 0.00 1.72 0.00 0.00 2.83 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.58 7.81 47 G 7.52 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 0.00 0.00 0.00 48 Y 8.36 6.04 0.00 3.15 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 49 E 8.63 4.44 0.00 1.91 1.83 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 2.28 2.36 0.00 50 R 8.40 4.67 0.00 1.73 1.94 0.00 3.24 0.00 0.00 3.19 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.64 0.00 51 V 9.07 4.57 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.99 0.00 0.00 52 D 8.65 5.82 0.00 2.57 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 53 V 9.46 4.12 2.16 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 0.95 0.00 0.00 0.75 0.00 0.00 54 D 10.08 4.53 0.00 2.81 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 55 G 8.53 4.14 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 0.00 56 K 8.27 4.67 0.00 2.05 1.71 0.00 1.58 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.42 1.40 7.81 57 P 0.00 4.99 0.00 2.06 2.16 0.00 3.54 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 1.89 1.93 0.00 58 Y 10.06 5.15 0.00 2.82 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 59 L 9.22 5.21 0.00 1.75 1.76 0.96 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 60 R 8.99 4.38 0.00 1.95 1.99 0.00 3.10 0.00 0.00 3.12 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.79 0.00 61 V 8.74 4.71 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 1.00 0.00 0.00 1.00 0.00 0.00 62 Y 9.23 4.46 0.00 3.17 2.91 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 63 L 8.70 4.38 0.00 1.39 0.92 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 64 K 8.25 4.47 0.00 1.77 1.76 0.00 1.76 0.00 0.00 1.83 0.00 0.00 2.83 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.41 1.43 7.81 65 Y 8.44 5.36 0.00 2.99 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 66 G 8.63 4.62 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 67 P 0.00 4.76 0.00 2.13 2.21 0.00 3.73 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 2.08 1.97 0.00 68 R 8.32 4.05 0.00 1.82 1.86 0.00 3.20 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.73 0.00 69 R 8.59 4.19 0.00 1.82 1.86 0.00 3.36 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 70 Q 8.21 4.50 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.98 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 71 G 8.31 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 72 P 0.00 4.48 0.00 2.19 2.05 0.00 3.92 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 73 D 8.64 4.38 0.00 2.80 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 P 0.00 4.41 0.00 2.11 2.21 0.00 3.73 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 1.93 1.96 0.00 75 R 7.74 4.03 0.00 1.75 2.04 0.00 3.28 0.00 0.00 3.25 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 76 P 0.00 4.58 0.00 1.84 2.27 0.00 2.97 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 1.65 1.77 0.00 77 E 8.90 4.17 0.00 2.10 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.45 0.00 78 Q 8.52 4.79 0.00 1.99 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.67 0.00 0.00 0.00 0.00 0.00 2.08 2.29 0.00 79 V 8.12 3.56 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 0.60 0.00 0.00 1.05 0.00 0.00 80 I 7.05 4.39 1.94 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 1.74 0.91 0.97 0.00 0.00 81 H 8.63 4.32 0.00 3.27 3.42 0.00 5.83 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 8.07 4.59 0.00 1.40 1.31 0.00 5.81 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 83 I 7.51 4.45 1.77 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 1.30 0.54 0.81 0.00 0.00 84 R 8.41 4.67 0.00 1.80 1.80 0.00 2.82 0.00 0.00 3.21 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.53 0.00 85 R 8.58 4.24 0.00 1.67 1.86 0.00 3.22 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 86 I 8.64 4.10 2.02 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 1.10 0.58 0.89 0.00 0.00 87 S 7.74 4.33 0.00 3.86 3.77 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 88 K 8.42 4.45 0.00 1.83 1.69 0.00 1.70 0.00 0.00 1.85 0.00 0.00 2.91 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.38 7.81 89 P 0.00 4.52 0.00 2.18 2.06 0.00 3.77 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 1.98 2.03 0.00 90 G 8.91 3.81 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 0.00 0.00 0.00 91 R 7.16 5.36 0.00 1.81 1.87 0.00 3.38 0.00 0.00 3.22 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.34 0.00 92 R 7.48 4.07 0.00 1.80 1.42 0.00 3.43 0.00 0.00 3.30 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.55 0.00 93 V 8.26 4.19 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 0.96 0.00 0.00 0.92 0.00 0.00 94 Y 8.53 5.05 0.00 2.89 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 95 V 8.60 4.57 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 0.82 0.00 0.00 1.03 0.00 0.00 96 G 8.51 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 97 V 8.41 3.64 2.16 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 0.75 0.00 0.00 1.01 0.00 0.00 98 K 8.17 3.91 0.00 1.78 1.93 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.48 7.81 99 E 7.71 4.25 0.00 2.13 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 2.36 2.29 0.00 100 I 7.36 3.84 1.96 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 1.37 0.77 0.93 0.00 0.00 101 P 0.00 4.55 0.00 2.21 2.06 0.00 3.77 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 2.00 2.00 0.00 102 R 8.34 4.45 0.00 1.82 1.90 0.00 3.36 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 103 V 8.21 4.15 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 1.24 0.00 0.00 1.01 0.00 0.00 104 R 9.24 3.42 0.00 1.79 1.62 0.00 2.65 0.00 0.00 2.83 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.50 0.00 105 R 8.66 3.58 0.00 1.79 1.91 0.00 3.48 0.00 0.00 3.20 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.50 0.00 106 G 8.44 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 0.00 0.00 0.00 107 L 8.38 4.64 0.00 1.70 1.63 0.84 0.67 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 0.00 108 G 7.88 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 0.00 0.00 0.00 0.00 109 I 8.48 5.01 1.88 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.92 1.06 0.00 0.00 110 A 9.21 5.07 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 0.00 111 I 8.78 5.71 1.84 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 1.43 0.93 0.00 0.00 112 L 8.43 5.22 0.00 1.71 1.91 0.94 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 113 S 9.10 4.72 0.00 3.86 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 0.00 114 T 8.91 5.04 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 1.23 0.00 0.00 115 S 8.72 4.29 0.00 3.98 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 0.00 116 K 8.01 4.29 0.00 1.76 1.85 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.39 1.36 7.81 117 G 7.93 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 0.00 118 V 7.38 4.30 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 1.04 0.00 0.00 1.02 0.00 0.00 119 L 8.80 5.04 0.00 1.61 1.52 0.93 0.52 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 0.00 120 T 8.27 4.95 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 1.20 0.00 0.00 121 D 8.85 4.42 0.00 2.92 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 0.00 122 R 8.09 3.92 0.00 1.89 2.06 0.00 3.17 0.00 0.00 3.36 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.77 0.00 123 E 7.77 3.93 0.00 2.25 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 2.49 0.00 124 A 8.56 4.19 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 0.00 125 R 7.92 3.85 0.00 1.94 2.02 0.00 3.19 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.78 0.00 126 K 8.19 4.06 0.00 1.74 2.03 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.49 7.81 127 L 8.65 4.30 0.00 1.83 1.71 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 128 G 8.27 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 0.00 0.00 0.00 129 V 7.61 4.53 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 0.81 0.00 0.00 0.94 0.00 0.00 130 G 7.74 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 0.00 131 G 7.50 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 0.00 132 E 8.54 4.22 0.00 2.00 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 0.00 1.87 2.44 0.00 133 L 8.46 4.35 0.00 1.75 1.54 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 134 I 8.39 3.90 2.06 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.72 0.90 0.00 0.00 135 C 8.06 5.00 0.00 2.95 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.34 4.90 0.00 1.94 1.84 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 2.44 2.31 0.00 137 V 8.30 4.67 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 0.72 0.00 0.00 0.76 0.00 0.00 138 W 9.04 5.28 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