NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 L 4.3335 8.0427 120.6382 54.8755 44.2340 178.6144 4 F 3.8692 8.3320 120.2249 61.1355 39.2924 175.4967 5 D 4.2958 8.4852 118.2213 57.0073 41.0446 177.7762 6 E 3.8796 8.1212 119.5779 59.3005 29.6580 178.9869 7 V 3.5125 7.8163 118.2670 65.8920 31.5195 178.1473 8 V 3.4702 7.7676 118.5039 65.8034 31.2494 178.0515 9 G 3.6500 8.3239 105.6067 47.9486 0.0000 175.4628 10 A 3.9839 8.0476 123.3715 54.5764 18.1372 179.4594 11 F 4.0709 8.2188 118.4220 61.6571 39.6020 177.1905 12 L 3.9660 8.1200 117.3673 57.4761 41.6640 179.0992 13 K 4.0531 8.5431 120.0948 57.2869 32.3252 177.9398 14 G 3.6308 7.9746 107.5571 47.1296 0.0000 173.4952 15 D 4.6637 8.3817 122.7859 52.5292 39.6082 175.9596 16 A 3.9880 7.4856 122.7964 54.4581 18.8276 179.0844 17 G 3.9779 8.9338 109.6660 45.6224 0.0000 175.2633 18 K 3.7472 7.6470 120.6962 60.2670 32.0947 178.7947 19 Y 4.1976 7.4829 117.1622 60.8474 37.9235 177.7072 20 Q 3.9982 8.2615 119.8355 59.1669 29.0618 178.1707 21 A 4.0231 8.0927 121.7015 55.2570 18.3613 179.7195 22 I 3.7600 7.9550 118.3612 64.4399 37.1555 178.6341 23 L 4.0858 8.3161 120.0332 58.0551 41.5273 179.7982 24 S 4.1721 8.3308 115.0311 61.3831 62.7618 176.5699 25 W 4.3612 8.5886 131.2231 60.4490 30.4442 178.0122 26 V 3.0360 8.3441 118.4809 66.0901 30.9869 177.9370 27 E 3.9276 7.9784 117.7487 59.4386 29.0575 179.2410 28 E 4.0793 8.0511 117.7495 59.1533 29.5994 178.6763 29 Q 4.0633 7.5966 116.0689 56.1509 28.8525 176.7117 30 G 3.9117 7.7332 108.6822 45.0111 0.0000 174.0458 31 G 3.9230 8.2189 106.4071 44.2934 0.0000 175.0190 32 I 3.6287 8.3427 118.4458 64.0218 37.7721 177.6933 33 Q 3.9244 8.4942 120.5119 59.1133 28.8191 178.5185 34 V 3.5479 7.5607 119.0204 66.0187 31.4780 178.0894 35 L 3.9981 7.7489 118.1288 57.6806 41.5660 179.1612 36 L 4.0058 8.1394 119.1431 57.9467 41.6129 179.2741 37 E 3.9473 8.3644 119.1543 59.1950 29.5881 179.0382 38 K 4.0673 8.2021 118.6262 59.3199 32.0874 179.2759 39 L 4.0174 8.1796 119.4462 57.8985 41.1367 179.6973 40 Q 3.9373 8.1838 117.8741 59.1682 28.5283 178.9539 41 S 4.3515 8.5438 114.8474 60.4072 62.8476 175.8178 42 G 4.0526 7.6948 106.9488 44.1106 0.0000 174.4619 43 G 3.9193 7.7755 107.8320 45.8413 0.0000 174.7371 44 L 4.5878 7.9685 118.5738 54.3834 41.8007 178.3721 45 G 3.5881 7.9586 108.8403 47.9229 0.0000 176.0290 46 A 3.8880 7.6975 121.4901 54.8465 18.9203 179.2524 47 I 3.5396 7.4377 117.8130 64.3786 37.2267 178.0666 48 L 2.7182 7.7717 121.4963 57.8664 41.8968 179.1610 49 S 4.1285 8.0433 114.3320 61.5655 62.4864 176.6072 50 T 4.0178 7.4160 112.4718 64.2434 68.8287 176.5668 51 W 5.1794 7.6988 122.8924 59.1991 29.2404 178.3725 52 L 4.2307 8.1746 120.4242 56.0930 41.1863 177.6803 53 S 4.4708 7.4647 112.7807 58.6613 62.7166 173.3865 54 N 4.8011 8.6928 122.8371 52.8316 37.6771 174.9736 55 Q 4.4467 7.9440 119.7015 56.9852 31.1735 175.5980 56 Q 4.4909 7.7635 115.5769 54.5555 30.0080 175.7779 57 R 4.2046 8.2417 119.4736 55.6727 31.2636 176.5253 58 N 4.6968 8.6898 119.0357 53.3054 38.9508 174.5834 59 Q 4.3915 9.0543 125.8977 55.7237 29.7845 175.9409 60 S 4.4749 8.6122 119.5290 58.3685 63.2074 173.4700 61 V 4.7881 8.0383 123.6489 59.2225 34.5436 175.6588 62 S 4.7806 9.0367 117.3412 57.2018 65.8969 175.5973 63 G 3.7899 8.4636 110.9570 47.5448 0.0000 175.7260 64 E 4.0407 8.1653 120.3497 59.3139 29.5520 179.3358 65 Q 4.0291 8.2648 118.1328 58.9779 28.7249 178.9287 66 L 4.1041 8.1454 120.0418 57.7571 41.7196 179.0383 67 E 4.0126 8.7690 119.6906 59.3738 29.2667 179.1425 68 S 4.1230 8.1198 114.2741 61.5506 63.0042 176.1834 69 A 4.1981 7.9350 122.1117 54.8714 18.4275 179.1676 70 L 4.2509 8.3518 116.5084 54.6352 42.6682 178.4272 71 G 4.0982 7.8495 105.3151 46.0791 0.0000 174.5303 72 T 3.8885 8.5905 118.1716 66.5453 68.3949 176.7433 73 N 4.3417 8.2048 117.5648 56.2194 38.5389 176.9461 74 A 4.2912 8.1135 121.6100 55.5230 18.5437 179.7594 75 V 3.5111 7.9006 116.5297 66.1523 31.6176 178.1329 76 S 4.0951 8.6026 113.3892 61.3139 62.2486 175.7578 77 D 4.4499 8.5215 122.0317 57.4227 40.6394 178.6600 78 L 3.8031 7.6829 120.8978 57.8286 41.9505 179.0198 79 G 3.5938 7.9866 105.7028 48.0938 0.0000 175.6109 80 Q 4.0198 8.5436 121.0042 58.4556 28.4814 178.7258 81 K 3.9485 7.7844 119.5276 59.3003 32.3319 178.1493 82 L 4.2955 7.7006 116.9864 54.7588 41.9164 177.9168 83 G 3.8686 7.7026 106.3573 45.4339 0.0000 173.4335 84 V 4.3245 7.3035 112.3847 58.9406 34.2824 175.7009 85 D 4.6331 8.1161 121.0011 53.3572 41.3973 177.3914 86 T 3.8382 8.3166 116.7417 66.7877 68.3665 176.8918 87 S 4.0504 8.0337 114.6408 61.6014 62.5000 176.1377 88 T 3.7927 8.2386 118.2584 66.5598 68.1734 176.4652 89 A 3.8481 8.0013 122.9207 55.0964 18.3615 179.8677 90 S 4.0282 8.3065 113.0621 61.6516 63.1166 176.9872 91 S 4.1839 8.2339 118.8919 61.0098 62.4414 176.2403 92 L 3.8254 7.9605 123.1584 58.2896 41.7853 179.1666 93 L 3.8733 7.9415 118.5786 57.6555 41.2614 179.3906 94 A 4.0338 7.8892 120.1799 54.7876 18.3047 179.1304 95 E 3.9465 7.8660 117.1655 59.4282 30.0587 178.3238 96 Q 4.2375 8.1764 117.7523 57.8463 29.1779 177.8008 97 L 3.8941 7.9959 121.8967 57.8061 42.0001 177.3726 98 P 2.9700 0.0000 0.0000 64.8663 30.9769 178.7762 99 K 3.8766 7.5936 116.9122 59.1923 32.0286 179.3992 100 I 3.6784 7.9478 120.4812 64.4812 36.8545 178.5907 101 I 3.8018 7.7140 119.5465 64.2600 37.2302 177.6320 102 D 4.9713 8.6150 120.2519 56.9676 40.8761 178.2724 103 A 4.0480 7.9839 119.8780 54.9596 18.4101 178.8130 104 L 4.3006 8.1056 115.8232 55.3934 42.6954 176.9058 105 S 5.5178 8.2268 113.4469 55.5445 62.8614 173.8634 106 P 4.2418 0.0000 0.0000 66.1080 31.7070 177.4454 107 Q 4.2287 8.0752 114.8153 56.0093 28.8844 176.3361 108 G 4.5144 9.4978 107.9161 44.8172 0.0000 172.9875 109 E 4.6664 7.4853 116.0977 54.2547 32.6462 174.8443 110 V 4.4973 7.9252 119.1738 61.9135 32.7175 174.7920 *113 Q 4.0059 8.3052 121.3116 55.4370 29.6748 175.2942 114 A 4.0108 8.8268 128.2710 55.4188 18.6312 178.1511 115 N 4.4410 8.0673 112.8994 56.3149 39.5202 175.6823 116 N 4.3810 8.1987 115.7123 55.5400 39.5612 174.4090 117 D 4.7668 7.8904 118.9243 50.5190 43.4499 175.1857 118 L 3.9452 8.4873 126.6819 58.2139 41.9042 178.5007 119 L 3.9969 7.8536 118.3961 58.2959 42.0960 178.6835 120 S 4.2396 7.9023 113.4722 61.4911 63.0882 176.0949 121 A 4.2939 8.1817 123.6086 54.9948 18.0061 180.8596 122 G 3.4461 8.3836 102.1643 45.4503 0.0000 175.2637 *124 E 4.2638 8.1683 122.2026 56.0785 31.5891 178.4511 125 L 3.9476 7.9401 117.6314 57.5424 41.8316 178.8984 126 L 4.0897 8.0864 120.4232 58.3401 42.1404 179.3176 127 K 4.1618 8.1245 117.9020 59.2699 31.2822 179.3350 128 G 3.6991 8.3132 106.4715 47.8462 0.0000 175.8466 129 K 4.2203 7.8345 119.1840 58.4858 32.1532 178.5795 130 L 4.3628 7.1181 114.2380 55.4984 42.0187 176.9404 131 F 4.4560 7.9457 125.4340 58.3603 39.5282 174.6722 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 L 8.04 4.33 0.00 1.78 1.81 0.94 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 4 F 8.33 3.87 0.00 3.22 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 5 D 8.49 4.30 0.00 2.90 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 6 E 8.12 3.88 0.00 2.03 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 0.00 2.36 2.36 0.00 7 V 7.82 3.51 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 0.89 0.00 0.00 0.94 0.00 0.00 8 V 7.77 3.47 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 0.98 0.00 0.00 0.01 0.00 0.00 9 G 8.32 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 A 8.05 3.98 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 11 F 8.22 4.07 0.00 2.95 3.28 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 12 L 8.12 3.97 0.00 1.66 1.71 0.97 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.54 4.05 0.00 1.87 1.80 0.00 1.76 0.00 0.00 1.62 0.00 0.00 3.15 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.39 1.42 7.81 14 G 7.97 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 15 D 8.38 4.66 0.00 2.69 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 16 A 7.49 3.99 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 17 G 8.93 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 18 K 7.65 3.75 0.00 1.67 1.94 0.00 0.93 0.00 0.00 1.47 0.00 0.00 2.56 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.99 0.35 7.81 19 Y 7.48 4.20 0.00 3.07 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 20 Q 8.26 4.00 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.46 2.53 0.00 21 A 8.09 4.02 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 22 I 7.95 3.76 2.10 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 0.75 1.10 0.00 0.00 23 L 8.32 4.09 0.00 2.02 1.78 1.05 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 24 S 8.33 4.17 0.00 4.01 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 25 W 8.59 4.36 0.00 3.41 3.51 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 26 V 8.34 3.04 2.27 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 0.91 0.00 0.00 1.15 0.00 0.00 27 E 7.98 3.93 0.00 2.13 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 2.50 2.50 0.00 28 E 8.05 4.08 0.00 2.04 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 2.54 0.00 29 Q 7.60 4.06 0.00 1.58 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.99 0.00 0.00 0.00 0.00 0.00 1.52 1.16 0.00 30 G 7.73 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 31 G 8.22 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 32 I 8.34 3.63 1.88 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.45 0.91 0.00 0.00 33 Q 8.49 3.92 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.57 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 34 V 7.56 3.55 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 0.91 0.00 0.00 0.90 0.00 0.00 35 L 7.75 4.00 0.00 1.89 1.76 0.73 0.39 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 36 L 8.14 4.01 0.00 1.84 1.74 0.99 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 37 E 8.36 3.95 0.00 2.16 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 2.30 2.48 0.00 38 K 8.20 4.07 0.00 2.03 2.06 0.00 1.72 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.66 7.81 39 L 8.18 4.02 0.00 1.85 1.66 1.13 1.04 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 40 Q 8.18 3.94 0.00 2.23 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.45 0.00 41 S 8.54 4.35 0.00 3.79 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 42 G 7.69 4.05 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 0.00 0.00 0.00 43 G 7.78 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 44 L 7.97 4.59 0.00 1.77 1.49 1.02 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 45 G 7.96 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 46 A 7.70 3.89 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 47 I 7.44 3.54 1.69 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 1.47 0.97 0.53 0.00 0.00 48 L 7.77 2.72 0.00 1.22 1.60 1.00 0.87 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 49 S 8.04 4.13 0.00 4.03 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 50 T 7.42 4.02 4.46 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 1.23 0.00 0.00 51 W 7.70 5.18 0.00 3.52 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 52 L 8.17 4.23 0.00 1.86 1.93 0.93 0.59 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 53 S 7.46 4.47 0.00 3.98 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 54 N 8.69 4.80 0.00 2.86 3.00 0.00 0.00 5.86 7.39 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 55 Q 7.94 4.45 0.00 2.01 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.73 6.96 0.00 0.00 0.00 0.00 0.00 2.24 2.35 0.00 56 Q 7.76 4.49 0.00 2.14 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.66 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 57 R 8.24 4.20 0.00 1.84 1.90 0.00 3.23 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 1.66 1.67 0.00 58 N 8.69 4.70 0.00 2.77 2.80 0.00 0.00 6.67 7.31 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 59 Q 9.05 4.39 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.90 0.00 0.00 0.00 0.00 0.00 2.45 2.36 0.00 60 S 8.61 4.47 0.00 3.92 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 61 V 8.04 4.79 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 1.10 0.00 0.00 1.14 0.00 0.00 62 S 9.04 4.78 0.00 4.35 4.05 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 63 G 8.46 3.79 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 0.00 0.00 0.00 64 E 8.17 4.04 0.00 2.08 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 2.41 2.47 0.00 65 Q 8.26 4.03 0.00 2.33 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.82 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 66 L 8.15 4.10 0.00 1.90 1.80 1.01 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.77 4.01 0.00 2.08 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 2.33 2.38 0.00 68 S 8.12 4.12 0.00 4.09 3.93 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 0.00 0.00 0.00 69 A 7.94 4.20 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 70 L 8.35 4.25 0.00 1.82 1.91 1.22 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 71 G 7.85 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 72 T 8.59 3.89 4.27 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 1.24 0.00 0.00 73 N 8.20 4.34 0.00 2.77 2.91 0.00 0.00 6.98 7.53 0.00 0.00 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 8.11 4.29 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 V 7.90 3.51 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 0.95 0.00 0.00 1.03 0.00 0.00 76 S 8.60 4.10 0.00 3.94 4.06 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 0.00 0.00 0.00 77 D 8.52 4.45 0.00 3.32 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 78 L 7.68 3.80 0.00 0.27 1.12 0.60 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 79 G 7.99 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 80 Q 8.54 4.02 0.00 2.24 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.74 0.00 0.00 0.00 0.00 0.00 2.38 2.55 0.00 81 K 7.78 3.95 0.00 2.01 1.88 0.00 1.92 0.00 0.00 1.79 0.00 0.00 3.11 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.53 7.81 82 L 7.70 4.30 0.00 1.73 1.62 0.77 0.91 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 83 G 7.70 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 0.00 0.00 0.00 84 V 7.30 4.32 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 0.70 0.00 0.00 0.90 0.00 0.00 85 D 8.12 4.63 0.00 2.85 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 86 T 8.32 3.84 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 1.25 0.00 0.00 87 S 8.03 4.05 0.00 3.87 4.05 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 88 T 8.24 3.79 4.34 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 1.15 0.00 0.00 89 A 8.00 3.85 1.20 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 0.00 0.00 90 S 8.31 4.03 0.00 4.20 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 0.00 91 S 8.23 4.18 0.00 3.99 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 92 L 7.96 3.83 0.00 1.62 1.73 0.73 0.31 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 93 L 7.94 3.87 0.00 1.81 1.67 0.58 0.61 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 94 A 7.89 4.03 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 95 E 7.87 3.95 0.00 1.96 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 96 Q 8.18 4.24 0.00 2.06 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.55 0.00 0.00 0.00 0.00 0.00 2.44 2.40 0.00 97 L 8.00 3.89 0.00 1.76 1.63 1.08 1.08 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 98 P 0.00 2.97 0.00 1.55 0.49 0.00 3.33 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.82 0.00 99 K 7.59 3.88 0.00 1.88 1.79 0.00 1.64 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.52 7.81 100 I 7.95 3.68 2.01 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.04 0.95 0.00 0.00 101 I 7.71 3.80 2.05 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.67 1.16 0.00 0.00 102 D 8.62 4.97 0.00 3.02 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 A 7.98 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 0.00 104 L 8.11 4.30 0.00 1.89 1.73 0.95 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 105 S 8.23 5.52 0.00 4.09 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 0.00 106 P 0.00 4.24 0.00 2.20 2.23 0.00 3.84 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 107 Q 8.08 4.23 0.00 2.18 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.62 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 108 G 9.50 4.51 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 0.00 0.00 0.00 109 E 7.49 4.67 0.00 2.10 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 2.26 2.29 0.00 110 V 7.93 4.50 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 1.05 0.00 0.00 0.98 0.00 0.00 *113 Q 8.31 4.01 0.00 2.14 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.64 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 114 A 8.83 4.01 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 0.00 115 N 8.07 4.44 0.00 2.67 2.84 0.00 0.00 6.90 7.79 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 0.00 116 N 8.20 4.38 0.00 2.71 2.80 0.00 0.00 6.64 8.47 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 0.00 117 D 7.89 4.77 0.00 2.64 2.46 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 0.00 118 L 8.49 3.95 0.00 2.02 1.66 0.98 0.42 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 0.00 119 L 7.85 4.00 0.00 1.67 1.69 0.93 0.92 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 0.00 120 S 7.90 4.24 0.00 4.05 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 A 8.18 4.29 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 0.00 122 G 8.38 3.45 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 0.00 *124 E 8.17 4.26 0.00 2.24 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 2.27 2.50 0.00 125 L 7.94 3.95 0.00 1.77 1.72 0.99 1.06 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 0.00 126 L 8.09 4.09 0.00 1.72 1.65 0.91 0.61 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 0.00 127 K 8.12 4.16 0.00 1.96 1.87 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.55 1.51 7.81 128 G 8.31 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 0.00 129 K 7.83 4.22 0.00 1.86 1.90 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.67 7.81 130 L 7.12 4.36 0.00 1.84 1.74 0.94 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 131 F 7.95 4.46 0.00 3.14 3.11 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 * Residues marked with a * may have inaccurate shift predictions.