NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4952 8.3049 120.6161 55.4575 33.3160 174.5503 2 K 4.5779 9.6051 125.8121 53.9621 35.4069 169.9310 3 V 4.9556 9.1689 122.7635 61.4915 34.5136 174.1278 4 Y 4.3819 9.1677 126.0395 56.1379 40.0486 175.4223 5 R 4.5607 8.5186 124.4806 55.8077 30.5568 176.0275 6 L 4.7004 8.9984 126.0299 53.0446 43.9710 175.6271 7 Y 4.5214 8.8105 122.4354 57.3225 38.5277 174.9130 8 L 4.9498 8.4550 123.9783 52.4183 44.9804 176.2775 9 K 4.2725 8.1277 119.3710 55.3821 34.4472 176.3683 10 D 4.4727 8.4711 123.3001 57.5169 40.7440 178.7738 11 E 3.8600 7.6009 117.7272 59.6474 29.9806 178.4825 12 Y 4.3831 7.0868 116.0693 60.9955 38.0331 177.6102 13 L 3.8696 9.0859 121.9587 58.2940 41.9999 178.5787 14 E 3.9247 8.2184 118.5663 60.0878 29.3953 179.3849 15 M 4.5543 7.8673 119.2820 57.9834 31.7882 179.0680 16 V 3.6166 7.5163 116.7157 65.8467 31.7671 177.7578 17 K 4.1619 8.0838 118.1914 59.4249 32.1775 179.1965 18 S 4.2900 8.2847 115.0071 60.7459 62.8189 175.8120 19 G 4.1370 8.4375 108.8588 45.1759 0.0000 174.7320 20 K 3.7992 8.1029 118.5630 59.0597 32.1374 176.7007 21 K 4.2402 7.8651 119.7074 55.8782 32.1586 175.3130 22 R 3.6385 8.4287 124.1885 56.7025 33.6771 175.5602 23 I 4.8006 7.5259 120.1010 59.4835 39.8281 174.4253 24 E 4.8377 9.7426 130.1242 54.7467 30.8953 174.7442 25 V 4.8496 8.1433 127.2342 59.7813 33.5791 175.3930 26 R 4.3626 8.5849 121.4510 55.3141 33.4000 173.6448 27 V 3.5102 8.7157 116.9699 61.6591 31.5530 175.1842 28 A 3.4090 8.3497 125.1031 52.4774 18.5768 175.9250 29 Y 3.4598 8.3917 117.9117 54.9618 40.0792 168.1394 30 P 4.6939 0.0000 0.0000 63.4515 32.2473 176.9938 31 Q 4.1636 9.2796 118.7615 56.2849 28.3835 173.0523 32 L 4.8936 7.7541 114.0227 56.6730 44.8608 178.5147 33 K 3.3825 8.3010 116.9201 60.0163 32.4213 177.5161 34 D 4.4002 8.3155 117.9086 56.7426 41.3337 176.0989 35 I 3.3419 7.8920 119.3135 60.9603 38.6027 173.9291 36 K 4.4705 7.8896 121.7333 55.3994 35.5952 175.0192 37 R 4.0505 8.1971 119.6152 57.7406 30.3972 175.6049 38 G 4.0462 8.3311 112.5077 45.6254 0.0000 173.4999 39 D 4.8285 7.5580 119.2754 53.7862 42.9437 175.0529 40 K 5.0202 9.5944 120.1316 55.2959 36.2426 175.2907 41 I 4.7483 9.4977 126.8897 59.4827 40.5829 174.3915 42 I 4.5388 8.4599 128.6168 59.6607 38.8807 174.7693 43 F 4.7392 8.8312 127.5689 57.1952 40.0741 176.3782 44 N 3.8727 9.8284 120.5186 53.1375 37.2142 174.4482 45 D 4.2259 7.6674 115.3521 54.1161 38.1140 171.2982 46 L 4.3562 7.3210 121.6658 55.1781 49.4149 174.0569 47 I 4.5251 7.4198 121.5203 58.7456 39.0284 174.0317 48 P 4.9273 0.0000 0.0000 62.8515 32.7088 175.0280 49 A 5.0872 8.7414 121.0833 50.7501 23.0092 174.6407 50 E 4.7288 9.0797 121.7843 54.1514 32.3735 175.2904 51 V 4.3437 8.3410 127.0642 63.3336 31.9801 176.6332 52 V 3.7441 9.2119 129.5149 65.3955 31.9924 175.7321 53 E 4.8926 7.7895 118.4064 55.1059 32.9065 173.7593 54 V 4.8018 8.4398 124.8924 59.8868 33.9043 174.9887 55 K 4.5819 8.6817 123.2088 54.5009 36.5339 175.0630 56 K 4.8447 8.2361 124.6279 55.4465 34.6646 174.6856 57 Y 5.0055 8.3267 121.8926 57.4721 42.0929 173.5990 58 E 4.6229 8.4471 116.2878 56.2121 32.9309 171.0424 59 T 3.4360 8.6172 125.5939 63.0490 68.8289 172.7302 60 F 4.3041 8.9797 122.2407 60.3570 37.3237 177.6838 61 R 3.6655 6.2137 115.6632 58.9522 28.8980 178.4375 62 Q 3.6837 8.1848 120.3467 59.0969 29.1278 178.5234 63 V 3.9735 7.5302 119.9160 65.3939 31.3557 177.7045 64 L 4.3359 7.8491 119.6032 56.5354 41.4423 179.2907 65 R 4.1497 7.7894 118.0628 58.9017 30.2242 178.2104 66 E 3.9775 8.2365 118.0692 58.0162 30.1583 176.3747 67 E 4.5617 7.9611 118.9303 53.8877 31.5931 174.3286 68 P 4.5229 0.0000 0.0000 62.6985 32.7690 176.7332 69 I 4.1369 8.0731 117.7307 62.8879 38.2457 178.1025 70 D 4.3406 8.1578 119.4333 56.2467 38.9606 178.4105 71 K 4.1505 7.8600 118.6073 59.0212 32.6251 178.3222 72 I 4.2452 7.0127 119.5176 62.2350 37.5804 176.5183 73 F 5.0406 8.3381 116.8124 54.8470 41.8286 173.5594 74 P 4.3906 0.0000 0.0000 65.8981 31.5411 178.3044 75 D 4.3463 8.0519 117.5141 54.9011 41.3271 176.2807 76 K 3.8314 7.4075 115.8162 57.2735 31.5018 172.0782 77 P 4.6072 0.0000 0.0000 63.0109 33.5295 176.9859 78 S 4.7195 8.2239 113.0774 57.3912 65.6607 174.5984 79 F 3.8274 8.8550 125.9510 61.8854 38.9228 177.4091 80 E 4.0401 8.2462 118.1119 59.0158 29.4989 178.4536 81 K 3.9234 7.9040 119.1409 59.3051 32.2891 178.5486 82 A 3.4715 8.9409 122.1281 54.6697 17.9359 179.3617 83 L 2.9036 6.9746 117.6566 57.7743 42.3786 178.9482 84 K 4.0140 7.7971 119.4353 59.5417 32.1368 178.6694 85 R 3.9413 8.5027 119.2460 59.7974 29.8466 179.0551 86 F 4.1828 8.3054 115.6719 59.5920 38.8534 176.2544 87 H 4.9493 8.3146 115.6623 55.5772 30.0597 174.6939 88 N 4.7498 7.7001 118.1009 55.3456 40.7133 174.6891 89 M 3.4744 8.1218 115.4871 57.1483 32.1416 175.0051 90 Y 3.6362 8.0126 121.4561 58.0067 34.8892 168.4083 91 P 4.4353 0.0000 0.0000 65.6966 32.1219 178.5483 92 K 4.0747 8.3633 117.4158 59.2683 32.3351 178.0671 93 W 4.3793 8.1809 119.2050 55.4961 27.3306 175.7273 94 K 4.3825 7.5365 118.8987 55.7327 33.8335 177.0251 95 E 4.9481 8.1573 120.1241 55.8850 32.7027 175.8932 96 Y 4.2532 9.0188 118.8332 57.3340 38.1837 176.8747 97 R 3.9627 8.4653 122.4244 56.8108 30.8445 174.4836 98 Y 4.4479 8.2446 119.0948 57.8237 41.3809 169.6896 99 G 3.3612 6.9169 118.9184 44.7823 0.0000 173.9657 100 V 4.4069 7.6762 124.9421 60.3005 32.6283 171.7671 101 L 5.0385 8.3905 124.7148 52.5531 45.2227 174.4349 102 A 4.8234 8.8893 128.7464 50.7406 20.5212 175.4929 103 I 4.3636 8.4320 123.5925 60.8387 39.1565 175.4574 104 K 4.9848 8.7952 127.8785 54.6947 33.6917 175.5137 105 F 5.5526 8.5406 120.1445 54.8710 41.3496 174.8085 106 R 4.6896 9.8750 122.0163 54.1972 32.2032 175.1116 107 V 4.1356 8.9603 126.4813 62.6549 31.8264 175.4678 108 L 4.0136 9.3833 124.1871 53.9438 42.2093 173.0993 109 G 3.6487 9.6727 117.2201 43.9690 0.0000 173.9406 110 R 3.9599 7.9463 121.8919 55.5716 31.3898 175.3095 111 D 4.6738 8.3642 120.6869 52.3701 40.5202 175.5909 112 K 4.5608 8.0856 122.6639 54.3170 35.7001 175.3100 113 E 4.0943 8.9653 119.0743 56.9193 29.3574 176.8241 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 4.50 0.00 2.06 2.06 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 2.55 2.60 0.00 2 K 9.61 4.58 0.00 2.27 1.97 0.00 1.85 0.00 0.00 1.72 0.00 0.00 2.86 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.45 1.51 7.81 3 V 9.17 4.96 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 0.79 0.00 0.00 0.94 0.00 0.00 4 Y 9.17 4.38 0.00 2.84 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 5 R 8.52 4.56 0.00 1.65 2.02 0.00 3.13 0.00 0.00 3.17 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 6 L 9.00 4.70 0.00 1.51 1.65 0.93 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 8.81 4.52 0.00 2.90 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 L 8.46 4.95 0.00 1.88 1.67 1.12 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 9 K 8.13 4.27 0.00 1.21 0.74 0.00 1.33 0.00 0.00 1.39 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.20 1.30 7.81 10 D 8.47 4.47 0.00 2.66 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 11 E 7.60 3.86 0.00 1.43 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 2.18 2.17 0.00 12 Y 7.09 4.38 0.00 2.94 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 13 L 9.09 3.87 0.00 1.94 1.81 0.99 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.22 3.92 0.00 2.36 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 2.33 2.43 0.00 15 M 7.87 4.55 0.00 2.11 2.33 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.41 0.00 16 V 7.52 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 0.37 0.00 0.00 0.56 0.00 0.00 17 K 8.08 4.16 0.00 1.95 1.86 0.00 1.78 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.59 7.81 18 S 8.28 4.29 0.00 4.03 4.12 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 0.00 0.00 0.00 0.00 19 G 8.44 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 20 K 8.10 3.80 0.00 1.74 1.89 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.44 7.81 21 K 7.87 4.24 0.00 1.78 1.86 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.47 7.81 22 R 8.43 3.64 0.00 1.63 1.68 0.00 3.03 0.00 0.00 3.35 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.52 0.00 23 I 7.53 4.80 1.87 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.65 0.95 0.00 0.00 24 E 9.74 4.84 0.00 2.41 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 2.45 2.43 0.00 25 V 8.14 4.85 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 1.29 0.00 0.00 1.11 0.00 0.00 26 R 8.58 4.36 0.00 1.90 1.77 0.00 3.26 0.00 0.00 3.38 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.51 0.00 27 V 8.72 3.51 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 0.68 0.00 0.00 0.77 0.00 0.00 28 A 8.35 3.41 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 Y 8.39 3.46 0.00 3.32 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 30 P 0.00 4.69 0.00 2.20 2.10 0.00 2.91 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.68 0.00 31 Q 9.28 4.16 0.00 2.25 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.92 0.00 0.00 0.00 0.00 0.00 2.18 2.31 0.00 32 L 7.75 4.89 0.00 2.01 1.69 1.05 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.30 3.38 0.00 1.89 2.20 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.76 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.57 1.44 7.81 34 D 8.32 4.40 0.00 2.77 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 35 I 7.89 3.34 1.53 0.00 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.44 0.83 0.00 0.00 36 K 7.89 4.47 0.00 2.03 1.84 0.00 1.36 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.30 1.33 7.81 37 R 8.20 4.05 0.00 1.79 1.86 0.00 3.36 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.80 0.00 38 G 8.33 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 39 D 7.56 4.83 0.00 2.66 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 9.59 5.02 0.00 1.68 1.69 0.00 1.55 0.00 0.00 1.64 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.29 1.54 7.81 41 I 9.50 4.75 1.36 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.54 -0.04 0.00 0.00 42 I 8.46 4.54 1.74 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.18 0.85 0.00 0.00 43 F 8.83 4.74 0.00 2.97 2.80 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 44 N 9.83 3.87 0.00 2.76 2.82 0.00 0.00 7.22 7.98 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 45 D 7.67 4.23 0.00 2.53 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 46 L 7.32 4.36 0.00 1.66 1.58 0.90 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 47 I 7.42 4.53 1.94 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 1.31 0.63 1.00 0.00 0.00 48 P 0.00 4.93 0.00 2.11 2.15 0.00 3.71 0.00 0.00 3.98 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 49 A 8.74 5.09 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 50 E 9.08 4.73 0.00 2.07 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 0.00 2.25 2.25 0.00 51 V 8.34 4.34 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 0.95 0.00 0.00 0.87 0.00 0.00 52 V 9.21 3.74 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 0.76 0.00 0.00 1.07 0.00 0.00 53 E 7.79 4.89 0.00 2.09 1.72 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 2.25 2.32 0.00 54 V 8.44 4.80 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 0.73 0.00 0.00 0.97 0.00 0.00 55 K 8.68 4.58 0.00 1.68 1.65 0.00 1.51 0.00 0.00 1.60 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.26 1.25 7.81 56 K 8.24 4.84 0.00 1.67 1.53 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.73 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.26 1.40 7.81 57 Y 8.33 5.01 0.00 2.89 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 58 E 8.45 4.62 0.00 2.07 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 2.23 2.33 0.00 59 T 8.62 3.44 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 0.91 0.00 0.00 60 F 8.98 4.30 0.00 2.93 3.44 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 61 R 6.21 3.67 0.00 1.96 1.43 0.00 2.86 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.37 0.00 62 Q 8.18 3.68 0.00 2.05 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.10 6.27 0.00 0.00 0.00 0.00 0.00 2.13 1.71 0.00 63 V 7.53 3.97 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 1.48 0.00 0.00 1.04 0.00 0.00 64 L 7.85 4.34 0.00 1.64 1.36 0.67 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 65 R 7.79 4.15 0.00 1.87 1.90 0.00 3.28 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.81 0.00 66 E 8.24 3.98 0.00 1.72 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 2.28 2.17 0.00 67 E 7.96 4.56 0.00 2.24 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 2.29 2.29 0.00 68 P 0.00 4.52 0.00 2.42 2.21 0.00 3.67 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 2.06 1.98 0.00 69 I 8.07 4.14 1.85 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 1.18 0.74 0.90 0.00 0.00 70 D 8.16 4.34 0.00 2.84 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 71 K 7.86 4.15 0.00 1.74 1.86 0.00 1.74 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.40 1.51 7.81 72 I 7.01 4.25 1.95 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 1.58 1.50 1.04 0.00 0.00 73 F 8.34 5.04 0.00 2.87 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 P 0.00 4.39 0.00 2.14 2.23 0.00 3.03 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.81 0.00 75 D 8.05 4.35 0.00 2.69 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 76 K 7.41 3.83 0.00 2.02 1.90 0.00 1.62 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.57 1.38 7.81 77 P 0.00 4.61 0.00 2.19 2.21 0.00 3.86 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 1.92 2.25 0.00 78 S 8.22 4.72 0.00 3.90 3.85 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 0.00 0.00 0.00 0.00 79 F 8.86 3.83 0.00 3.02 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 E 8.25 4.04 0.00 2.18 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 2.40 2.48 0.00 81 K 7.90 3.92 0.00 1.85 1.76 0.00 1.79 0.00 0.00 1.84 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.50 7.81 82 A 8.94 3.47 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 L 6.97 2.90 0.00 1.27 1.71 0.88 0.38 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 84 K 7.80 4.01 0.00 1.97 1.75 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.46 7.81 85 R 8.50 3.94 0.00 1.94 2.01 0.00 3.46 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.90 0.00 86 F 8.31 4.18 0.00 2.82 2.94 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 87 H 8.31 4.95 0.00 3.10 3.31 0.00 5.61 0.00 0.00 0.00 0.00 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 N 7.70 4.75 0.00 2.82 2.81 0.00 0.00 7.02 8.95 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 89 M 8.12 3.47 0.00 2.01 1.96 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.47 0.00 90 Y 8.01 3.64 0.00 3.16 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 91 P 0.00 4.44 0.00 2.23 2.21 0.00 3.91 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.01 0.00 92 K 8.36 4.07 0.00 1.99 2.29 0.00 1.74 0.00 0.00 1.81 0.00 0.00 3.13 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.60 1.68 7.81 93 W 8.18 4.38 0.00 3.29 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 94 K 7.54 4.38 0.00 1.89 2.01 0.00 1.63 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.54 1.41 7.81 95 E 8.16 4.95 0.00 1.98 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 2.08 2.05 0.00 96 Y 9.02 4.25 0.00 3.17 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 97 R 8.47 3.96 0.00 1.88 2.05 0.00 3.42 0.00 0.00 3.41 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.37 0.00 98 Y 8.24 4.45 0.00 2.46 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 6.92 3.36 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 0.00 100 V 7.68 4.41 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 1.05 0.00 0.00 1.02 0.00 0.00 101 L 8.39 5.04 0.00 1.75 1.64 1.04 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 102 A 8.89 4.82 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 0.00 103 I 8.43 4.36 2.21 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.88 1.11 0.00 0.00 104 K 8.80 4.98 0.00 1.97 1.71 0.00 1.64 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.39 7.81 105 F 8.54 5.55 0.00 3.09 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 0.00 106 R 9.88 4.69 0.00 1.80 1.89 0.00 3.11 0.00 0.00 3.24 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.52 0.00 107 V 8.96 4.14 2.38 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 0.85 0.00 0.00 1.09 0.00 0.00 108 L 9.38 4.01 0.00 1.63 1.67 0.97 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 109 G 9.67 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 0.00 110 R 7.95 3.96 0.00 1.80 1.91 0.00 3.25 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 111 D 8.36 4.67 0.00 2.81 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 0.00 112 K 8.09 4.56 0.00 1.67 1.71 0.00 1.71 0.00 0.00 1.64 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.31 1.46 7.81 113 E 8.97 4.09 0.00 1.96 1.86 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 2.31 2.34 0.00