NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7977 8.3049 120.2840 55.2790 33.3818 175.0789 2 E 4.4074 8.9063 123.6650 55.0911 31.5932 173.9790 3 L 5.1002 10.2380 125.3647 53.8754 45.4362 174.3835 4 H 5.4562 9.5362 124.3810 54.1234 31.3361 173.4143 5 A 5.1177 9.1257 125.9633 50.5862 21.0419 175.5323 6 I 4.9193 8.7894 124.3083 59.3087 39.4410 175.9041 7 T 2.4954 8.4836 118.2811 61.3707 69.1747 173.9955 8 D 4.4876 7.9701 120.7267 52.2931 40.4233 175.6384 9 D 4.9644 8.7670 118.5786 53.7625 39.7958 174.1267 10 S 4.5967 7.5942 106.7458 58.7969 66.7573 174.3038 11 K 4.6985 7.5864 119.9157 53.7049 35.0926 174.6543 12 P 4.4571 0.0000 0.0000 62.3901 33.3176 178.1320 13 V 3.5942 8.3813 113.9931 64.6806 31.5568 178.7436 14 E 3.9201 8.1174 117.6744 59.4914 29.4145 178.9195 15 E 3.9433 8.0876 118.6498 59.1493 29.7612 178.2928 16 L 4.0010 8.2380 120.4207 58.0864 42.1639 178.6390 17 A 3.9863 8.4607 121.0594 55.2969 18.3287 179.6486 18 R 3.8822 7.8207 115.8723 59.6128 30.1956 179.2882 19 I 3.7074 7.7415 119.2766 64.5154 36.6890 178.4263 20 I 3.8108 8.0886 120.6745 64.6018 36.7328 178.5439 21 I 3.7862 7.6227 119.2342 64.7891 37.0342 178.3180 22 T 4.0217 7.8701 115.5757 65.9922 68.5323 175.8154 23 I 4.1714 7.7054 113.1075 60.7419 38.0351 177.2786 24 Q 3.9290 7.6056 119.1118 59.7774 28.2055 178.3922 25 N 4.6770 8.0563 112.2286 53.6479 38.8150 174.8224 26 E 4.4456 8.1461 118.5497 55.9196 30.6046 175.2268 27 V 4.5677 7.1364 108.5754 60.2180 35.4268 174.8796 28 D 4.3700 8.6573 120.4591 56.0902 41.6345 177.3795 29 F 5.1868 7.7415 114.5278 55.8418 44.1758 173.9824 30 I 5.1328 9.1725 121.5715 60.1645 40.6591 174.1508 31 H 5.2082 9.7128 125.5717 54.6751 30.6467 174.7355 32 I 4.2012 8.9749 125.7777 59.8504 37.5827 176.3069 33 R 4.9225 8.6779 130.0510 55.0072 30.4432 177.0238 34 E 4.5104 7.4603 123.6893 54.6047 28.8580 177.7079 35 R 3.9056 7.8066 119.1689 58.9987 30.7628 178.2574 36 S 4.5879 8.4016 109.6759 57.8484 63.4127 173.8962 37 K 4.5411 7.7147 120.9048 54.9719 33.8182 177.0159 38 S 4.4335 8.2310 116.3698 57.7468 65.3093 175.1886 39 A 3.9435 8.5007 123.8680 55.3277 18.1949 179.7103 40 A 3.9550 7.9985 118.6869 55.5949 18.3580 179.5171 41 D 4.3025 7.9608 116.9815 57.5363 40.8453 179.0826 42 I 3.6829 8.0115 120.5555 64.3527 37.0833 178.5344 43 L 4.0262 8.4135 120.3369 57.4513 41.3835 179.5020 44 K 3.9386 7.8971 119.6933 59.1417 32.1307 178.6236 45 L 3.8633 8.0436 120.9237 58.2681 41.9726 178.9336 46 L 3.4353 8.0479 119.2235 57.5618 41.3753 179.0444 47 D 4.3735 8.0520 117.8946 57.2867 41.1618 178.3323 48 L 3.9810 7.8615 119.6778 57.8655 41.5168 179.6411 49 I 3.8063 7.7408 113.0060 63.8524 37.6574 178.3005 50 F 4.5949 8.1994 119.9372 60.6347 38.5790 177.3274 51 E 4.3312 8.5169 116.7643 58.3515 29.4310 178.5305 52 G 3.8757 7.8782 104.2269 44.2141 0.0000 172.8838 53 G 3.6288 7.8416 107.4674 45.9630 0.0000 173.3144 54 I 4.1968 7.3783 117.3711 59.3678 40.1677 174.8512 55 D 4.6289 8.3518 124.6002 52.8797 40.4649 176.9522 56 K 4.1317 8.6761 127.7218 59.4394 32.2675 179.7228 57 R 4.1087 8.1461 116.8380 58.3622 30.1703 177.6308 58 K 4.3190 8.1957 116.6987 57.2108 32.6921 176.4146 59 L 4.8350 7.6780 119.9970 54.4928 42.5368 176.7152 60 V 4.5246 8.8937 123.1096 61.2979 34.7618 173.6372 61 M 4.6932 8.9747 128.4961 54.4374 33.6513 174.0584 62 N 4.8677 8.8512 125.9060 53.8968 39.6485 174.2577 63 G 4.2946 9.3328 121.0738 46.9513 0.0000 175.7897 64 R 4.3419 7.4214 123.4372 54.5757 28.5851 177.0710 65 V 3.6164 8.1524 123.3099 65.4876 31.8974 176.8526 66 D 4.2745 8.0365 118.5835 56.6306 39.0005 178.4945 67 I 3.7939 7.8404 120.8783 63.7376 37.1049 177.9973 68 A 4.0514 7.8545 121.1233 55.2564 18.0504 179.4352 69 L 3.6257 7.3873 115.8322 57.8482 41.7121 179.1290 70 F 4.7184 7.5451 113.8538 57.6146 39.0080 176.2096 71 S 4.7780 7.1876 111.9361 57.9435 63.5975 174.0513 72 T 3.4077 7.8876 114.8666 64.6431 65.5765 171.4546 73 I 4.4373 7.8409 122.3447 60.4520 38.3307 175.6083 74 H 4.7099 8.9132 121.5558 56.1696 30.1300 174.6566 75 R 5.1562 7.9378 118.5642 54.3992 33.0343 175.1660 76 V 4.9493 8.6370 116.2332 59.4865 36.2297 174.3234 77 Q 4.8527 8.9624 124.4852 54.4155 31.6987 174.0737 78 L 4.8385 8.8307 127.6395 52.5261 43.5114 174.8369 79 P 4.6189 0.0000 0.0000 62.1131 32.8479 176.0387 80 S 4.2646 8.4650 117.0633 59.8066 62.7362 174.6465 81 G 3.9399 9.0215 116.1462 45.2224 0.0000 173.4086 82 S 4.3392 7.0236 114.7718 56.9010 63.9323 173.1918 83 F 4.5812 7.3941 117.2835 58.4098 39.3242 175.6204 84 S 4.5698 9.0167 119.1701 57.3412 65.3616 173.9952 85 P 4.3622 0.0000 0.0000 66.0754 31.1611 179.9271 86 K 3.9862 7.5694 123.3096 59.7873 31.0950 183.0806 87 Q 4.1533 7.9070 119.1361 58.7844 28.5668 179.0404 88 I 3.7441 7.5112 120.6608 64.5350 37.0192 178.6271 89 R 3.6922 8.0768 117.7545 58.9622 29.8928 178.0259 90 A 4.0399 7.6169 120.0575 54.4753 18.3770 178.8369 91 R 3.9789 7.1109 113.8972 56.1915 32.6184 176.9603 92 F 5.0539 8.1080 116.7374 54.5989 39.1050 173.6919 93 P 4.3713 0.0000 0.0000 65.5901 31.7614 177.7461 94 H 4.5280 8.1962 111.5057 56.9032 29.1176 175.4768 95 L 4.3676 7.4540 121.0451 54.9514 42.5038 175.8915 96 H 4.8723 9.5565 123.4743 55.1826 31.5891 173.6171 97 I 4.6944 10.0089 128.2480 59.5576 39.3672 174.9071 98 G 3.1965 8.5656 114.2879 43.9049 0.0000 172.2115 99 R 5.0082 8.0246 121.1198 54.0847 33.5902 175.0133 100 S 4.8878 8.7816 120.5946 57.8816 63.4821 174.1033 101 V 4.6037 8.5090 118.3081 59.7553 34.8041 176.2438 102 H 5.0943 9.5337 118.6870 54.9039 30.4099 173.8916 103 S 4.7856 7.6705 114.1160 55.8628 66.9593 174.7301 104 L 3.7499 8.3560 123.5394 58.3220 41.8767 178.7632 105 E 3.9338 8.1083 118.0217 59.5493 29.4084 178.8993 106 E 3.9334 8.4011 119.0053 58.9772 29.7107 178.7558 107 A 3.9248 7.8762 121.0768 55.0321 18.4568 179.7481 108 V 3.4809 7.8193 116.7827 66.2389 31.5384 178.0369 109 Q 3.9398 8.2470 119.0830 59.0138 28.8408 177.9357 110 A 3.9375 8.1795 122.0392 55.1715 17.8928 179.2666 111 E 3.8534 8.1052 117.5512 59.3862 29.5124 179.1888 112 K 4.0844 7.8471 117.5313 59.2763 31.8952 178.2873 113 E 4.2891 8.3595 117.1128 56.0902 28.9696 176.6902 114 D 4.5603 7.8914 116.8311 54.9878 40.0966 174.0794 115 A 4.1540 7.6542 119.1966 51.7467 18.8489 178.4226 116 D 4.7167 8.6978 120.9058 56.8853 41.8402 175.9713 117 Y 4.8061 6.9522 114.3049 56.5618 41.0502 173.3474 118 V 4.8351 8.7065 112.4107 59.4677 36.4121 175.0803 119 L 5.0692 8.8629 125.4682 53.5397 43.8370 174.6370 120 F 5.2187 9.1750 130.3664 57.1279 40.4927 174.7693 121 G 4.0883 7.7578 112.6347 44.8447 0.0000 171.3862 122 H 3.8736 8.8752 116.4966 56.3385 25.8347 175.7462 123 V 3.4148 7.0902 120.9310 64.4468 32.2000 174.4919 124 F 4.5850 7.6104 120.2087 56.0691 39.5175 175.2113 *135 R 4.4064 8.2824 124.3893 55.8228 32.0606 176.8542 136 G 3.9558 7.9704 104.4378 47.8543 0.0000 176.0208 137 V 3.6213 7.5789 120.5327 65.3099 31.5051 177.9771 138 S 4.0620 7.9729 112.7327 61.3081 62.3629 175.8787 139 L 3.8826 8.0651 121.7448 57.5252 41.2484 179.1596 140 L 3.6543 8.0484 120.2305 58.2784 41.8583 178.9081 141 S 4.2925 7.8965 112.9236 60.7441 62.5770 175.3710 142 D 4.4020 8.2048 120.6587 57.5209 41.0357 178.2188 143 I 3.6005 7.9094 120.6469 64.2689 36.8865 178.1933 144 K 4.1657 8.1373 117.2680 58.1323 31.8878 177.9722 145 Q 4.5039 7.7932 116.9195 56.2317 30.2161 177.2755 146 R 4.2060 7.7580 118.8448 56.5671 30.7294 176.4884 147 I 4.7956 7.2369 109.1370 58.1438 40.2205 175.2607 148 S 4.5995 9.4660 115.6240 58.1964 63.7918 174.3541 149 I 4.2981 7.5056 114.7014 59.4433 39.0730 173.9533 150 P 4.6723 0.0000 0.0000 63.3289 32.7976 175.3549 151 V 4.8415 9.5769 122.6194 61.3577 34.4367 174.1388 152 I 4.8650 9.0671 129.6519 59.7629 39.0713 174.7745 153 A 4.9608 8.9488 130.0777 51.3292 20.1374 175.9434 154 I 4.6114 8.9005 121.4481 59.9882 42.7622 174.6389 155 G 4.0689 9.6570 115.7046 46.7763 0.0000 173.8313 156 G 4.0114 8.5917 114.4803 46.3642 0.0000 171.7274 157 M 4.4413 8.1968 119.1537 55.2812 32.7870 176.0190 158 T 4.9606 8.0677 110.8893 57.5786 72.3212 172.8353 159 P 4.2081 0.0000 0.0000 66.6464 31.0351 179.3604 160 D 4.4177 7.9587 118.0491 57.5116 39.9459 179.6379 161 R 4.5633 7.6917 115.3906 56.8962 30.5656 178.2226 162 L 4.1930 7.8894 122.4346 58.2859 41.4878 180.1384 163 R 3.9756 7.9555 120.1511 61.6912 29.4969 181.3056 164 D 4.6327 8.1401 119.6321 57.0832 40.9427 179.0345 165 V 3.7392 7.9432 121.1660 66.4853 31.4985 178.9643 166 K 4.0421 8.5021 123.8766 59.9752 31.4237 180.7225 167 Q 4.1562 8.3247 120.0401 58.7283 29.0207 177.6167 168 A 4.2735 8.0531 120.3656 52.5178 18.4141 178.4651 169 G 4.0772 8.2919 104.9698 44.5454 0.0000 174.3251 170 A 4.0635 7.5596 122.4062 52.9750 18.8648 177.5911 171 D 4.5855 9.2107 121.5953 54.5972 41.6071 176.1717 172 G 4.3794 6.9861 106.2405 46.0711 0.0000 171.8565 173 I 5.3179 8.3134 112.4072 58.9212 41.0486 174.2723 174 A 5.2718 8.9767 125.9294 50.2927 21.5808 176.1242 175 V 3.8267 8.9061 120.5312 62.3690 34.6137 173.5806 176 M 4.9483 9.2292 126.3335 55.8842 34.0389 177.4410 177 S 4.3214 8.5349 113.7168 61.5403 63.6709 176.6237 178 G 3.9477 8.2778 107.7565 46.8159 0.0000 173.7187 179 I 4.3367 7.5503 118.8117 63.1171 39.0144 177.7634 180 F 4.2363 8.3962 116.6129 59.6709 38.8732 176.4896 181 S 4.5752 8.0323 112.8245 58.6100 63.3300 174.5402 182 S 4.3222 7.5596 115.2147 57.6858 62.7174 173.9638 183 A 4.2031 8.4843 127.8191 54.5269 18.6396 177.8932 184 E 4.6173 7.8992 114.9326 52.4909 30.3151 174.0271 185 P 4.2433 0.0000 0.0000 65.5364 31.6435 177.3546 186 L 3.8917 7.7901 118.1452 58.2797 42.2223 178.7110 187 E 3.9247 8.1426 117.7678 59.1722 28.9582 178.9564 188 A 3.9668 8.2608 120.7659 55.2799 18.4399 179.4859 189 A 4.1667 8.3931 119.6080 55.4998 18.3234 179.9529 190 R 4.2523 8.1309 117.9026 58.9909 30.1509 179.4462 191 R 3.7505 7.8843 117.3413 59.3280 30.0637 178.8424 192 Y 3.9930 7.6785 115.5535 61.0759 38.1052 178.4279 193 S 4.2807 8.5170 115.6351 61.4742 62.9667 176.4514 194 R 3.8700 8.7027 123.0533 58.9714 29.8630 178.4155 195 K 3.9352 8.0012 119.3565 59.5181 31.9707 178.8043 196 L 4.0633 8.0081 118.4471 57.6957 41.9436 179.3731 197 K 4.1260 8.3721 118.7395 59.2121 31.7662 178.7349 198 E 3.9157 8.2441 118.9455 59.9742 29.6334 178.8798 199 M 4.2122 7.9525 116.5796 57.8168 32.0324 176.9985 200 R 4.1968 7.6121 122.6830 56.6166 30.4157 175.7785 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 4.80 0.00 1.97 2.13 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.73 0.00 2 E 8.91 4.41 0.00 2.13 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 3 L 10.24 5.10 0.00 1.72 1.51 0.86 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 4 H 9.54 5.46 0.00 3.05 3.21 0.00 5.67 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 5 A 9.13 5.12 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 6 I 8.79 4.92 1.88 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.54 0.89 0.00 0.00 7 T 8.48 2.50 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 1.04 0.00 0.00 8 D 7.97 4.49 0.00 2.77 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 9 D 8.77 4.96 0.00 2.89 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 10 S 7.59 4.60 0.00 3.97 3.87 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 11 K 7.59 4.70 0.00 1.74 1.74 0.00 1.85 0.00 0.00 1.79 0.00 0.00 3.02 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.36 1.44 7.81 12 P 0.00 4.46 0.00 2.16 1.96 0.00 3.78 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 13 V 8.38 3.59 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 0.82 0.00 0.00 0.92 0.00 0.00 14 E 8.12 3.92 0.00 2.05 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 2.40 2.43 0.00 15 E 8.09 3.94 0.00 2.05 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 2.42 2.39 0.00 16 L 8.24 4.00 0.00 1.79 1.79 0.88 1.25 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 17 A 8.46 3.99 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 18 R 7.82 3.88 0.00 2.11 2.01 0.00 3.15 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.90 0.00 19 I 7.74 3.71 2.18 0.00 0.00 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 1.54 0.81 0.74 0.00 0.00 20 I 8.09 3.81 2.08 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 1.76 1.50 0.97 0.00 0.00 21 I 7.62 3.79 2.04 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 1.78 0.76 0.93 0.00 0.00 22 T 7.87 4.02 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 1.19 0.00 0.00 23 I 7.71 4.17 1.78 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.67 0.81 0.00 0.00 24 Q 7.61 3.93 0.00 2.30 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.94 0.00 0.00 0.00 0.00 0.00 2.54 2.36 0.00 25 N 8.06 4.68 0.00 2.72 2.88 0.00 0.00 6.70 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 26 E 8.15 4.45 0.00 1.92 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 27 V 7.14 4.57 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 0.75 0.00 0.00 1.01 0.00 0.00 28 D 8.66 4.37 0.00 2.48 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 0.00 0.00 0.00 29 F 7.74 5.19 0.00 2.74 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 30 I 9.17 5.13 1.99 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.87 1.07 0.00 0.00 31 H 9.71 5.21 0.00 3.05 3.27 0.00 5.62 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 I 8.97 4.20 1.87 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 1.13 1.19 0.87 0.00 0.00 33 R 8.68 4.92 0.00 1.66 1.74 0.00 3.24 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.69 0.00 34 E 7.46 4.51 0.00 1.99 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 2.25 2.19 0.00 35 R 7.81 3.91 0.00 1.77 2.00 0.00 3.17 0.00 0.00 3.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.76 0.00 36 S 8.40 4.59 0.00 3.97 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 K 7.71 4.54 0.00 1.87 1.74 0.00 1.67 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.33 7.81 38 S 8.23 4.43 0.00 4.04 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 39 A 8.50 3.94 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 40 A 8.00 3.96 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 41 D 7.96 4.30 0.00 2.87 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 42 I 8.01 3.68 1.99 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 1.50 0.81 0.89 0.00 0.00 43 L 8.41 4.03 0.00 1.81 1.73 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 44 K 7.90 3.94 0.00 2.00 2.01 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.43 7.81 45 L 8.04 3.86 0.00 1.73 1.73 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.05 3.44 0.00 1.64 0.95 0.93 0.59 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 47 D 8.05 4.37 0.00 2.87 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 48 L 7.86 3.98 0.00 1.89 1.68 0.91 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 49 I 7.74 3.81 1.86 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 1.35 0.47 0.91 0.00 0.00 50 F 8.20 4.59 0.00 3.22 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 51 E 8.52 4.33 0.00 1.98 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 2.78 2.51 0.00 52 G 7.88 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 53 G 7.84 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.38 4.20 2.03 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.97 1.13 0.00 0.00 55 D 8.35 4.63 0.00 2.72 2.56 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 56 K 8.68 4.13 0.00 1.84 1.90 0.00 0.98 0.00 0.00 1.56 0.00 0.00 2.75 0.00 0.00 2.41 0.00 0.00 0.00 0.00 1.59 1.40 7.81 57 R 8.15 4.11 0.00 1.94 2.02 0.00 3.14 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 58 K 8.20 4.32 0.00 1.98 1.82 0.00 1.61 0.00 0.00 1.54 0.00 0.00 2.70 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.31 1.33 7.81 59 L 7.68 4.83 0.00 1.80 1.70 1.15 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 60 V 8.89 4.52 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 0.83 0.00 0.00 0.80 0.00 0.00 61 M 8.97 4.69 0.00 2.18 1.94 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.70 0.00 62 N 8.85 4.87 0.00 2.83 2.85 0.00 0.00 7.29 7.30 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 63 G 9.33 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 R 7.42 4.34 0.00 1.87 2.09 0.00 3.35 0.00 0.00 3.29 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.64 0.00 65 V 8.15 3.62 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 0.87 0.00 0.00 1.09 0.00 0.00 66 D 8.04 4.27 0.00 3.18 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 I 7.84 3.79 2.04 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 1.63 1.17 0.95 0.00 0.00 68 A 7.85 4.05 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 69 L 7.39 3.63 0.00 1.06 0.86 -0.84 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 70 F 7.55 4.72 0.00 3.09 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 71 S 7.19 4.78 0.00 4.02 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 72 T 7.89 3.41 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 1.22 0.00 0.00 73 I 7.84 4.44 2.05 0.00 0.00 1.00 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 0.90 1.07 0.00 0.00 74 H 8.91 4.71 0.00 3.15 3.38 0.00 5.75 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 75 R 7.94 5.16 0.00 1.90 1.81 0.00 3.33 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 76 V 8.64 4.95 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 0.67 0.00 0.00 0.98 0.00 0.00 77 Q 8.96 4.85 0.00 2.17 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 78 L 8.83 4.84 0.00 1.54 1.57 1.00 0.99 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 79 P 0.00 4.62 0.00 1.98 1.93 0.00 3.51 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.17 0.00 80 S 8.46 4.26 0.00 4.04 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 81 G 9.02 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 0.00 0.00 0.00 82 S 7.02 4.34 0.00 3.59 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 83 F 7.39 4.58 0.00 3.13 2.92 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 84 S 9.02 4.57 0.00 4.25 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 85 P 0.00 4.36 0.00 2.42 2.10 0.00 3.59 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 86 K 7.57 3.99 0.00 1.91 1.82 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.35 7.81 87 Q 7.91 4.15 0.00 2.24 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.78 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 88 I 7.51 3.74 2.05 0.00 0.00 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 1.44 1.08 1.01 0.00 0.00 89 R 8.08 3.69 0.00 1.88 1.94 0.00 3.29 0.00 0.00 3.23 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 90 A 7.62 4.04 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 91 R 7.11 3.98 0.00 0.67 0.66 0.00 2.80 0.00 0.00 2.92 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.32 0.00 92 F 8.11 5.05 0.00 2.93 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 P 0.00 4.37 0.00 2.06 2.14 0.00 3.72 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.28 0.00 94 H 8.20 4.53 0.00 3.31 3.43 0.00 5.53 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 L 7.45 4.37 0.00 1.55 1.60 0.81 0.90 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 96 H 9.56 4.87 0.00 3.18 3.24 0.00 5.55 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 I 10.01 4.69 1.78 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 1.14 0.60 0.83 0.00 0.00 98 G 8.57 3.20 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 115 A 7.65 4.15 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 0.00 116 D 8.70 4.72 0.00 2.54 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 0.00 117 Y 6.95 4.81 0.00 3.18 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 0.00 118 V 8.71 4.84 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 0.62 0.00 0.00 0.98 0.00 0.00 119 L 8.86 5.07 0.00 1.83 1.57 0.93 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 120 F 9.17 5.22 0.00 3.16 2.96 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 0.00 0.00 0.00 121 G 7.76 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 H 8.88 3.87 0.00 3.09 3.35 0.00 5.85 0.00 0.00 0.00 0.00 7.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 V 7.09 3.41 1.54 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 0.41 0.00 0.00 0.77 0.00 0.00 124 F 7.61 4.59 0.00 3.28 2.92 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 *135 R 8.28 4.41 0.00 1.76 1.98 0.00 3.25 0.00 0.00 3.34 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.21 0.00 136 G 7.97 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 137 V 7.58 3.62 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 1.14 0.00 0.00 0.86 0.00 0.00 138 S 7.97 4.06 0.00 3.94 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 L 8.07 3.88 0.00 2.14 1.64 1.12 0.28 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 0.00 140 L 8.05 3.65 0.00 1.94 1.82 1.01 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 141 S 7.90 4.29 0.00 3.90 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 0.00 142 D 8.20 4.40 0.00 2.84 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 0.00 143 I 7.91 3.60 1.71 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.21 0.75 0.00 0.00 144 K 8.14 4.17 0.00 1.85 1.86 0.00 1.67 0.00 0.00 1.77 0.00 0.00 3.19 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.58 1.62 7.81 145 Q 7.79 4.50 0.00 2.12 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.93 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 146 R 7.76 4.21 0.00 1.74 1.94 0.00 3.23 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.68 0.00 147 I 7.24 4.80 1.97 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 1.27 1.17 0.87 0.00 0.00 148 S 9.47 4.60 0.00 3.95 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 I 7.51 4.30 2.10 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 1.35 0.64 0.98 0.00 0.00 150 P 0.00 4.67 0.00 2.18 2.06 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 2.18 2.14 0.00 151 V 9.58 4.84 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 1.12 0.00 0.00 0.94 0.00 0.00 152 I 9.07 4.87 1.90 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 1.19 0.58 0.78 0.00 0.00 153 A 8.95 4.96 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 0.00 154 I 8.90 4.61 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 1.16 1.63 0.89 0.00 0.00 155 G 9.66 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 156 G 8.59 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 0.00 0.00 0.00 157 M 8.20 4.44 0.00 2.17 2.07 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.57 0.00 158 T 8.07 4.96 4.15 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 1.19 0.00 0.00 159 P 0.00 4.21 0.00 1.98 1.94 0.00 3.32 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.22 0.00 160 D 7.96 4.42 0.00 2.77 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 R 7.69 4.56 0.00 1.77 1.72 0.00 2.59 0.00 0.00 2.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.33 0.00 162 L 7.89 4.19 0.00 1.68 1.80 1.06 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 163 R 7.96 3.98 0.00 1.81 1.94 0.00 3.25 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.29 0.00 164 D 8.14 4.63 0.00 2.84 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 0.00 165 V 7.94 3.74 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 1.08 0.00 0.00 1.28 0.00 0.00 166 K 8.50 4.04 0.00 1.78 1.80 0.00 1.87 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.37 1.32 7.81 167 Q 8.32 4.16 0.00 2.28 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.92 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 168 A 8.05 4.27 1.44 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 0.00 169 G 8.29 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 0.00 170 A 7.56 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 0.00 171 D 9.21 4.59 0.00 2.84 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 0.00 172 G 6.99 4.38 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 0.00 173 I 8.31 5.32 1.92 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 1.22 1.23 1.00 0.00 0.00 174 A 8.98 5.27 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 V 8.91 3.83 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 0.80 0.00 0.00 0.18 0.00 0.00 176 M 9.23 4.95 0.00 2.10 1.82 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.48 0.00 177 S 8.53 4.32 0.00 4.14 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 0.00 178 G 8.28 3.95 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 0.00 0.00 0.00 179 I 7.55 4.34 1.76 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 1.65 1.36 0.42 0.00 0.00 180 F 8.40 4.24 0.00 3.16 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 S 8.03 4.58 0.00 4.11 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 0.00 182 S 7.56 4.32 0.00 3.80 3.95 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 0.00 183 A 8.48 4.20 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 E 7.90 4.62 0.00 1.97 1.82 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 2.20 2.60 0.00 185 P 0.00 4.24 0.00 2.02 1.85 0.00 3.56 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.32 0.00 186 L 7.79 3.89 0.00 1.72 1.63 0.97 0.96 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 0.00 187 E 8.14 3.92 0.00 2.16 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 2.38 2.36 0.00 188 A 8.26 3.97 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 0.00 189 A 8.39 4.17 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 R 8.13 4.25 0.00 2.08 1.99 0.00 3.13 0.00 0.00 3.25 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 191 R 7.88 3.75 0.00 1.78 1.75 0.00 2.98 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.81 0.00 192 Y 7.68 3.99 0.00 3.23 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 193 S 8.52 4.28 0.00 4.04 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 0.00 194 R 8.70 3.87 0.00 1.91 1.99 0.00 3.07 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 195 K 8.00 3.94 0.00 2.00 1.96 0.00 1.57 0.00 0.00 1.61 0.00 0.00 3.18 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.59 1.54 7.81 196 L 8.01 4.06 0.00 1.84 1.76 0.99 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 197 K 8.37 4.13 0.00 1.94 1.86 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.71 7.81 198 E 8.24 3.92 0.00 2.06 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 0.00 2.33 2.37 0.00 199 M 7.95 4.21 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.56 0.00 200 R 7.61 4.20 0.00 2.03 2.03 0.00 3.30 0.00 0.00 3.27 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 * Residues marked with a * may have inaccurate shift predictions.