NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3843 8.2893 120.3493 55.4982 32.0925 173.8960 2 N 4.4910 8.0388 120.7230 50.3843 37.9110 171.1452 3 E 3.9488 9.3455 125.3582 57.0596 29.3678 178.4039 4 L 4.4225 8.1539 124.6900 53.3460 40.6998 175.9967 5 E 4.5304 8.0255 123.3258 53.5540 32.1531 175.8146 6 G 3.7844 8.1351 112.4851 45.1938 0.0000 172.2256 7 Y 4.7573 8.8662 117.2041 56.0918 40.1669 176.8466 8 V 4.0630 8.5865 123.7973 63.5027 32.5260 177.5596 9 T 4.2171 8.1619 117.2909 66.0932 68.8591 175.0284 10 K 4.4024 7.9502 120.0910 56.5724 32.6551 177.2045 11 A 4.2873 8.2382 123.6137 53.5509 19.2784 182.0458 12 Q 3.5327 7.8167 112.0677 57.9075 31.6462 180.1847 13 S 4.1162 7.9955 110.8473 60.0977 63.1843 174.3668 14 F 4.2169 8.5560 119.6873 56.5575 39.7683 174.4732 15 R 4.5620 8.3798 121.7283 54.7202 32.2521 174.3366 16 F 5.7844 8.9545 122.9350 54.7206 43.8764 173.5698 17 A 4.6819 8.3149 120.1432 50.4877 22.4761 174.9998 18 I 4.8373 8.8541 122.5867 59.4371 40.4622 174.9750 19 V 4.5948 8.6730 125.6789 61.1843 34.3424 174.6028 20 V 5.3610 8.7485 120.5911 58.3532 35.3109 174.6844 21 A 5.6709 8.4590 125.5878 50.6597 19.5914 177.8563 22 R 4.2476 9.0507 121.5766 58.8138 30.7201 176.6689 23 F 4.1020 8.2325 119.8904 59.7420 39.8427 174.1712 24 N 4.3261 8.4630 123.2325 54.3186 36.3198 176.0304 25 E 4.5264 8.0562 121.6136 59.2901 29.3810 177.6188 26 F 3.9767 8.3476 118.7109 60.9913 39.3993 176.4327 27 V 4.1246 8.4439 117.1779 65.0921 32.0727 177.5640 28 T 3.8696 8.0181 109.0831 65.1266 68.2686 175.3226 29 R 4.0442 8.4564 121.9955 59.3716 29.9967 178.1522 30 R 3.8153 7.9682 116.7537 59.3099 30.1516 178.1973 31 L 3.8395 8.1813 120.2284 58.6213 41.9376 178.7323 32 M 3.8637 8.5947 117.8173 58.8301 32.1563 177.6469 33 E 4.0626 8.7323 119.1321 59.6219 29.5570 179.9140 34 G 3.4855 8.4519 105.4599 47.6922 0.0000 175.3357 35 A 3.6542 7.7972 124.0231 54.8012 18.4406 178.8590 36 L 4.0744 8.2292 118.7722 58.6879 42.0153 178.3074 37 D 4.3968 8.4914 117.6033 58.1235 41.1104 178.7366 38 T 3.8840 8.0332 116.0281 66.9835 68.2003 176.0193 39 F 4.3258 7.5611 117.9975 60.7764 39.2236 177.4142 40 K 4.1726 8.1943 117.1215 59.7032 31.7789 179.0727 41 K 3.8320 8.5135 118.5689 59.2921 32.5510 176.8901 42 Y 4.2982 8.7155 117.4797 58.3337 38.6815 176.2745 43 S 3.7456 8.2883 111.6487 58.8005 63.4722 172.8511 44 V 3.9606 7.7410 120.4454 62.0953 31.7021 175.7857 45 N 4.7134 8.3115 120.5675 53.7001 40.5172 174.1571 46 E 4.4924 9.0274 126.4054 56.4438 30.6881 174.5329 47 D 4.2899 8.7947 113.8588 59.7362 40.1264 173.9171 48 I 3.5702 6.4816 109.2807 58.4558 39.5001 174.5061 49 D 4.6566 8.7436 124.3746 54.0186 42.2397 175.4133 50 V 4.6425 8.3556 116.3130 59.5321 34.0383 175.0336 51 V 4.2812 8.8536 126.9332 60.9351 33.3404 174.3909 52 W 5.1765 8.8567 128.2022 55.9667 30.2731 176.2177 53 V 4.7144 9.1369 118.0142 58.8545 34.8965 174.8916 54 P 4.3674 0.0000 0.0000 65.4777 32.1053 176.4199 55 G 4.5610 8.1826 107.4704 42.5043 0.0000 173.0319 56 A 3.9427 8.6701 122.8149 55.3780 18.4581 179.4597 57 Y 3.9154 8.3397 116.0702 61.1746 38.7398 178.1151 58 E 4.1367 8.6841 119.2825 59.4651 29.5290 179.3578 59 L 3.9760 7.7832 119.0315 58.7245 41.7241 179.0608 60 G 3.6817 7.8285 101.2285 49.3454 0.0000 175.6246 61 V 3.6609 7.6948 112.0491 63.8886 32.1270 178.6046 62 T 3.8408 7.7674 114.6429 66.6820 68.2851 176.2520 63 A 3.8861 8.6278 122.6280 55.6521 18.4349 179.4851 64 Q 3.7967 8.4435 118.0977 59.9213 29.3050 178.8002 65 A 4.0153 8.8071 122.2448 54.6212 18.0746 179.1067 66 L 4.1528 8.2284 117.9248 57.8417 42.3416 180.2618 67 G 3.8058 8.8751 105.5812 47.9711 0.0000 176.0763 68 K 4.1692 8.1046 120.1528 58.2730 32.3881 179.0143 69 S 4.3397 8.3534 114.3279 58.7639 62.6401 175.1652 70 G 3.9489 7.9622 109.4376 46.2830 0.0000 174.7149 71 K 3.8045 7.7853 119.3242 58.1276 32.2075 176.9006 72 Y 4.7793 7.3920 114.2591 56.6041 40.3319 174.8997 73 H 4.8342 9.1430 118.3705 57.3919 30.0655 175.7224 74 A 4.9467 7.8525 118.0803 50.7257 22.7087 175.0836 75 I 4.9033 8.8513 115.5769 58.9270 40.7481 174.6543 76 V 4.6355 8.8807 125.7170 60.1042 33.8655 174.1054 77 C 5.1054 9.1745 122.9954 57.8824 30.5635 172.8050 78 L 5.5292 8.0231 123.5064 52.1133 44.9448 175.7980 79 G 4.2799 8.0594 107.3150 46.3165 0.0000 171.9495 80 A 5.2868 8.5684 121.5005 50.5404 22.1231 176.2482 81 V 4.2783 9.2408 123.2190 59.9163 33.5804 175.1997 82 V 4.3084 8.4607 119.5582 60.6016 32.5630 177.7044 83 K 3.5579 8.5089 127.4418 56.7788 29.0716 176.9623 84 G 3.7796 8.5536 113.1936 47.2886 0.0000 171.5857 85 D 4.6128 7.7564 117.1771 54.6205 43.6443 177.8467 86 T 4.2701 8.4147 115.0759 61.3382 70.8025 175.9895 87 S 4.9594 8.5397 116.7864 60.1983 62.6473 175.2133 88 H 3.8791 7.9462 122.8123 60.0980 29.4267 175.3314 89 Y 4.1679 8.1023 120.2245 61.3633 38.5175 177.7153 90 D 4.2048 8.4726 118.2325 58.0167 41.0195 178.6047 91 A 3.8545 8.2413 120.0769 56.0079 18.2702 179.4364 92 V 3.6156 8.4061 115.5517 66.0035 31.6063 178.3418 93 V 3.4734 8.0997 117.8957 66.4043 31.2079 177.8781 94 N 4.2401 8.8311 116.3155 56.3532 38.3666 177.2398 95 S 3.9439 8.2048 116.2332 62.0517 62.9923 176.4050 96 A 3.9425 8.6417 123.8668 55.3768 17.9638 179.1204 97 S 4.2356 8.6878 110.5241 61.8068 62.5049 176.5026 98 S 4.1032 8.8706 116.0981 61.6013 62.0755 176.1962 99 G 3.6255 8.5479 108.5202 48.1668 0.0000 175.3968 100 V 3.6453 7.9507 121.1437 65.7990 31.4740 177.4024 101 L 3.9273 8.2413 120.0860 57.6731 41.8439 178.7520 102 S 4.0823 8.8265 114.7926 61.9959 63.0039 176.5486 103 A 4.0760 8.6516 123.2733 55.3642 17.9650 179.4992 104 G 4.3233 8.2126 103.1296 47.8521 0.0000 175.4249 105 L 4.0325 7.7920 120.1793 57.5892 41.8046 179.1098 106 N 4.5068 8.5822 115.4975 56.3878 38.6200 177.3537 107 S 4.3994 8.8016 114.5799 58.8934 63.3987 175.3644 108 G 3.9778 8.1643 109.6579 45.7091 0.0000 172.8559 109 V 4.5535 7.7932 120.0312 59.8452 34.3453 173.1979 110 P 4.5452 0.0000 0.0000 63.2230 32.3057 174.7784 111 C 5.2117 8.5891 122.4246 57.8096 30.6311 173.8050 112 V 3.7470 8.9059 125.8260 62.5001 32.3073 175.4228 113 F 4.4883 8.9736 131.6868 56.4083 37.7930 175.5242 114 G 4.1858 8.7354 118.4148 44.1519 0.0000 170.7474 115 V 4.8961 6.3873 116.9489 59.5984 34.4983 177.2216 116 L 4.4210 8.9553 125.6678 54.1440 42.8990 177.1733 117 T 5.3367 7.9217 112.3401 60.3109 68.1358 173.0145 118 C 4.2826 8.1321 119.3730 60.3381 30.3121 174.6284 119 D 4.5232 8.9902 120.1849 55.9961 39.6072 176.7681 120 N 4.7180 9.6182 116.3895 51.9473 39.4482 175.8558 121 M 3.9954 8.8276 119.6347 59.1974 32.2438 177.7958 122 D 4.3645 8.2262 117.2932 57.7919 41.0108 178.1494 123 Q 4.0079 8.7198 116.8447 59.0243 29.0245 178.6577 124 A 4.1560 7.7177 120.2192 55.5220 18.3561 179.4716 125 I 3.7423 8.0655 118.1858 65.1602 37.2349 178.2633 126 N 4.4332 8.1194 116.5693 56.1492 38.4073 177.4969 127 R 4.0657 8.7435 119.0965 57.4984 30.9334 176.8072 128 A 4.4400 7.5652 123.7876 51.3985 18.2092 177.4898 129 G 3.9097 9.0451 106.0358 45.7791 0.0000 173.8330 130 G 4.2383 7.7699 111.0155 44.0286 0.0000 175.4193 131 K 4.1778 8.2687 120.3067 58.1828 32.5416 177.2368 132 A 4.4770 7.9968 121.4879 51.8038 20.0389 178.4556 133 G 3.7253 8.7918 105.1242 45.2524 0.0000 172.8313 134 N 5.7569 8.0505 119.0283 49.9543 41.4290 175.5725 135 K 4.1317 8.1704 131.2207 58.9907 32.3065 177.9539 136 G 3.7650 8.2378 104.8875 48.1331 0.0000 174.8173 137 A 3.7704 8.3540 123.2451 54.5902 17.9407 179.2740 138 E 3.7335 8.0566 116.7882 59.8227 29.4160 179.8407 139 S 3.9976 8.5561 114.9376 61.5327 62.8751 176.4538 140 A 3.4431 7.6076 123.1169 54.9166 17.9281 179.0364 141 L 3.3673 7.4721 118.5020 58.6973 42.0197 179.4702 142 T 3.6830 8.0108 115.3408 66.3998 68.2904 176.0983 143 A 3.8961 8.0814 123.0009 55.8640 18.2419 179.1215 144 I 3.6186 7.5177 117.6078 64.7482 37.1250 177.7529 145 E 3.8286 8.4005 119.3675 59.9350 29.4132 179.4162 146 M 3.8317 8.4317 118.3187 58.4885 31.8045 178.0612 147 A 3.8595 7.9143 119.6187 55.3425 18.7605 178.8902 148 S 4.2401 8.0045 110.5981 61.5828 62.4183 176.3294 149 L 4.0091 8.3267 123.0143 58.6431 41.8050 179.0131 150 F 4.4315 8.8478 117.5696 59.2868 39.8875 174.8926 151 E 5.2278 7.8993 118.3245 52.9004 28.5896 173.8180 152 H 4.8549 7.8015 129.0518 56.8372 32.4135 174.6064 153 H 4.4873 8.9752 113.6410 57.2329 29.1287 175.3556 154 L 3.4256 6.9989 121.6455 54.3930 42.5603 174.1410 155 K 4.1238 7.5322 120.4025 56.7998 32.7069 175.8957 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 8.29 4.38 0.00 1.98 2.09 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 2.48 2.60 0.00 2 N 8.04 4.49 0.00 2.91 2.78 0.00 0.00 6.34 6.77 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 3 E 9.35 3.95 0.00 1.97 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 2.31 2.33 0.00 4 L 8.15 4.42 0.00 1.68 1.83 0.96 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 5 E 8.03 4.53 0.00 1.78 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.16 0.00 6 G 8.14 3.78 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 0.00 0.00 0.00 7 Y 8.87 4.76 0.00 2.99 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 8 V 8.59 4.06 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 0.96 0.00 0.00 0.87 0.00 0.00 9 T 8.16 4.22 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 1.25 0.00 0.00 10 K 7.95 4.40 0.00 1.96 1.89 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.36 0.00 0.00 3.60 0.00 0.00 0.00 0.00 1.62 1.86 7.81 11 A 8.24 4.29 1.58 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 0.00 0.00 12 Q 7.82 3.53 0.00 2.32 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 6.84 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 13 S 8.00 4.12 0.00 3.62 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 14 F 8.56 4.22 0.00 2.66 2.30 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 15 R 8.38 4.56 0.00 1.83 1.71 0.00 3.11 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.76 0.00 16 F 8.95 5.78 0.00 2.48 2.66 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 17 A 8.31 4.68 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 I 8.85 4.84 1.75 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 1.18 0.96 0.74 0.00 0.00 19 V 8.67 4.59 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 0.92 0.00 0.00 0.82 0.00 0.00 20 V 8.75 5.36 1.75 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 0.42 0.00 0.00 -0.64 0.00 0.00 21 A 8.46 5.67 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 22 R 9.05 4.25 0.00 1.98 2.14 0.00 3.13 0.00 0.00 3.10 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.37 0.00 23 F 8.23 4.10 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 24 N 8.46 4.33 0.00 3.25 3.06 0.00 0.00 6.72 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 25 E 8.06 4.53 0.00 2.34 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 2.36 2.28 0.00 26 F 8.35 3.98 0.00 3.11 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 27 V 8.44 4.12 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 1.13 0.00 0.00 1.15 0.00 0.00 28 T 8.02 3.87 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 1.36 0.00 0.00 29 R 8.46 4.04 0.00 2.17 1.99 0.00 3.35 0.00 0.00 3.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.92 0.00 30 R 7.97 3.82 0.00 2.05 1.93 0.00 3.25 0.00 0.00 3.19 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.51 0.00 31 L 8.18 3.84 0.00 1.89 1.71 0.89 0.74 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 32 M 8.59 3.86 0.00 2.11 1.82 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.60 0.00 33 E 8.73 4.06 0.00 2.16 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 2.58 0.00 34 G 8.45 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 A 7.80 3.65 1.23 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 0.00 0.00 0.00 36 L 8.23 4.07 0.00 1.99 1.72 1.03 1.08 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 37 D 8.49 4.40 0.00 2.80 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 38 T 8.03 3.88 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 0.80 0.00 0.00 39 F 7.56 4.33 0.00 3.36 3.07 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 40 K 8.19 4.17 0.00 1.99 1.94 0.00 1.79 0.00 0.00 1.79 0.00 0.00 2.99 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.73 1.68 7.81 41 K 8.51 3.83 0.00 2.06 2.30 0.00 1.96 0.00 0.00 1.79 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.50 7.81 42 Y 8.72 4.30 0.00 3.31 3.07 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 43 S 8.29 3.75 0.00 4.13 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 44 V 7.74 3.96 2.40 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 0.89 0.00 0.00 1.32 0.00 0.00 45 N 8.31 4.71 0.00 2.76 2.75 0.00 0.00 6.93 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 46 E 9.03 4.49 0.00 2.05 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 2.15 2.25 0.00 47 D 8.79 4.29 0.00 2.79 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 I 6.48 3.57 1.71 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.61 0.53 0.00 0.00 49 D 8.74 4.66 0.00 2.62 2.65 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 50 V 8.36 4.64 1.76 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 0.60 0.00 0.00 0.90 0.00 0.00 51 V 8.85 4.28 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 1.08 0.00 0.00 0.86 0.00 0.00 52 W 8.86 5.18 0.00 3.24 3.10 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 53 V 9.14 4.71 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 1.03 0.00 0.00 54 P 0.00 4.37 0.00 2.21 2.37 0.00 3.73 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.05 0.00 55 G 8.18 4.56 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 0.00 0.00 0.00 56 A 8.67 3.94 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 Y 8.34 3.92 0.00 3.01 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 58 E 8.68 4.14 0.00 2.39 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 2.42 2.50 0.00 59 L 7.78 3.98 0.00 1.76 1.69 0.79 0.59 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 60 G 7.83 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.69 3.66 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 1.05 0.00 0.00 62 T 7.77 3.84 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 63 A 8.63 3.89 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 64 Q 8.44 3.80 0.00 2.20 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.72 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 65 A 8.81 4.02 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 66 L 8.23 4.15 0.00 1.74 1.71 0.71 1.08 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 67 G 8.88 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 68 K 8.10 4.17 0.00 1.96 1.92 0.00 1.73 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.48 7.81 69 S 8.35 4.34 0.00 4.07 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 70 G 7.96 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 71 K 7.79 3.80 0.00 0.79 1.21 0.00 1.60 0.00 0.00 1.56 0.00 0.00 2.81 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.27 1.37 7.81 72 Y 7.39 4.78 0.00 2.95 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 H 9.14 4.83 0.00 2.84 3.45 0.00 5.89 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 74 A 7.85 4.95 1.43 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 0.00 0.00 0.00 75 I 8.85 4.90 1.79 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.27 0.77 0.00 0.00 76 V 8.88 4.64 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 1.01 0.00 0.00 0.83 0.00 0.00 77 C 9.17 5.11 0.00 2.68 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.02 5.53 0.00 1.39 1.40 0.79 0.66 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 79 G 8.06 4.28 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 0.00 80 A 8.57 5.29 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 9.24 4.28 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 0.80 0.00 0.00 0.86 0.00 0.00 82 V 8.46 4.31 2.32 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 0.76 0.00 0.00 1.06 0.00 0.00 83 K 8.51 3.56 0.00 0.79 1.33 0.00 0.90 0.00 0.00 1.53 0.00 0.00 2.80 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.09 0.66 7.81 84 G 8.55 3.78 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 0.00 0.00 0.00 85 D 7.76 4.61 0.00 2.63 2.41 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 86 T 8.41 4.27 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 87 S 8.54 4.96 0.00 4.27 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 88 H 7.95 3.88 0.00 3.26 3.43 0.00 5.62 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 89 Y 8.10 4.17 0.00 3.13 3.09 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 90 D 8.47 4.20 0.00 2.90 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 91 A 8.24 3.85 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 92 V 8.41 3.62 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 1.00 0.00 0.00 93 V 8.10 3.47 1.88 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 0.91 0.00 0.00 0.16 0.00 0.00 94 N 8.83 4.24 0.00 2.85 2.79 0.00 0.00 7.06 6.95 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 95 S 8.20 3.94 0.00 3.72 3.06 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 96 A 8.64 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 97 S 8.69 4.24 0.00 3.70 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 98 S 8.87 4.10 0.00 3.82 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 99 G 8.55 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 0.00 100 V 7.95 3.65 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 1.09 0.00 0.00 1.02 0.00 0.00 101 L 8.24 3.93 0.00 1.83 1.71 0.88 1.02 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 0.00 102 S 8.83 4.08 0.00 3.98 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 0.00 103 A 8.65 4.08 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 0.00 104 G 8.21 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 0.00 0.00 0.00 105 L 7.79 4.03 0.00 1.81 1.76 0.94 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 0.00 106 N 8.58 4.51 0.00 2.69 2.90 0.00 0.00 7.19 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 0.00 107 S 8.80 4.40 0.00 4.03 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 0.00 108 G 8.16 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 0.00 109 V 7.79 4.55 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 1.08 0.00 0.00 1.10 0.00 0.00 110 P 0.00 4.55 0.00 1.95 1.73 0.00 3.70 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 1.30 1.38 0.00 111 C 8.59 5.21 0.00 2.83 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 0.00 112 V 8.91 3.75 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 0.75 0.00 0.00 0.88 0.00 0.00 113 F 8.97 4.49 0.00 3.04 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 G 8.74 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 0.00 0.00 0.00 115 V 6.39 4.90 1.79 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 -0.81 0.00 0.00 0.74 0.00 0.00 116 L 8.96 4.42 0.00 1.61 1.66 0.94 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 117 T 7.92 5.34 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 1.27 0.00 0.00 118 C 8.13 4.28 0.00 2.97 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 0.00 119 D 8.99 4.52 0.00 2.68 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 0.00 120 N 9.62 4.72 0.00 2.89 2.91 0.00 0.00 6.77 8.31 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 0.00 121 M 8.83 4.00 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.60 0.00 122 D 8.23 4.36 0.00 2.74 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 0.00 123 Q 8.72 4.01 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.70 0.00 0.00 0.00 0.00 0.00 2.41 2.65 0.00 124 A 7.72 4.16 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 I 8.07 3.74 2.05 0.00 0.00 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 1.82 1.58 1.02 0.00 0.00 126 N 8.12 4.43 0.00 3.01 2.87 0.00 0.00 7.03 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 R 8.74 4.07 0.00 1.90 1.98 0.00 3.28 0.00 0.00 3.18 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.81 0.00 128 A 7.57 4.44 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 0.00 129 G 9.05 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 0.00 130 G 7.77 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 0.00 0.00 0.00 0.00 131 K 8.27 4.18 0.00 1.83 1.95 0.00 1.59 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.66 1.39 7.81 132 A 8.00 4.48 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 0.00 133 G 8.79 3.73 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 0.00 0.00 0.00 134 N 8.05 5.76 0.00 2.75 2.60 0.00 0.00 6.78 6.66 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 0.00 135 K 8.17 4.13 0.00 1.83 1.75 0.00 1.84 0.00 0.00 1.73 0.00 0.00 3.20 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.35 7.81 136 G 8.24 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 0.00 137 A 8.35 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 E 8.06 3.73 0.00 2.11 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 2.26 2.43 0.00 139 S 8.56 4.00 0.00 3.84 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 0.00 140 A 7.61 3.44 0.19 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 0.00 141 L 7.47 3.37 0.00 1.43 1.65 0.72 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 142 T 8.01 3.68 4.30 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 1.12 0.00 0.00 143 A 8.08 3.90 1.22 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 0.00 0.00 144 I 7.52 3.62 1.93 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 1.29 0.51 0.92 0.00 0.00 145 E 8.40 3.83 0.00 1.94 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 2.24 2.31 0.00 146 M 8.43 3.83 0.00 1.65 2.13 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.70 0.00 147 A 7.91 3.86 1.14 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 0.00 148 S 8.00 4.24 0.00 3.83 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 0.00 149 L 8.33 4.01 0.00 1.87 2.03 0.95 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 150 F 8.85 4.43 0.00 3.43 3.14 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 0.00 151 E 7.90 5.23 0.00 2.26 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 2.41 2.37 0.00 152 H 7.80 4.85 0.00 3.37 3.68 0.00 5.71 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 H 8.98 4.49 0.00 3.33 3.71 0.00 5.96 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 L 7.00 3.43 0.00 1.76 1.63 0.85 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 155 K 7.53 4.12 0.00 1.82 1.69 0.00 1.53 0.00 0.00 1.73 0.00 0.00 3.13 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.27 1.40 7.81