NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4152 8.3049 120.3465 54.9634 32.7773 175.7431 2 R 4.0124 8.8813 126.5594 55.7215 32.1277 176.4372 3 M 4.2431 8.4092 120.9687 58.6974 32.3064 178.3205 4 D 4.5917 8.1966 117.6789 56.9320 39.3466 178.1298 5 E 4.1661 8.3936 119.8501 58.7346 29.7153 178.8090 6 F 4.0927 8.4284 120.3271 61.5947 39.8799 177.2840 7 Y 3.2931 8.8552 116.8045 61.3301 37.6277 179.2827 8 T 4.0396 8.0587 116.2061 67.0221 68.6626 176.3780 9 K 3.9030 8.3690 119.3367 60.0329 31.9321 179.2045 10 V 3.2590 7.6223 117.4593 66.1955 31.6808 177.7440 11 Y 4.4481 7.5138 116.2105 61.4667 37.5968 178.2064 12 D 4.4121 8.7393 118.5843 57.7896 41.2435 178.5163 13 A 3.9649 8.5511 120.8335 55.8032 17.8316 179.8625 14 V 3.2583 8.5696 116.2081 66.0034 31.3513 177.3560 15 C 4.3428 7.8059 114.0923 60.6995 28.1500 174.2353 16 E 4.3059 7.9835 120.2947 54.9103 29.5387 175.3297 17 I 2.9237 6.1402 120.4583 59.0331 38.3193 174.3233 18 P 4.3476 0.0000 0.0000 61.8662 32.2434 174.8538 19 Y 4.2277 8.4774 119.8617 59.5620 38.9167 177.9166 20 G 3.8172 8.5145 115.0961 45.6111 0.0000 173.9346 21 K 4.5098 7.4332 117.8475 56.0076 33.5435 176.4000 22 V 4.5421 8.2414 114.4720 59.9764 36.4431 173.5782 23 S 4.5935 9.1175 114.4701 57.7454 66.1212 171.8849 24 T 5.0557 8.1716 110.6261 59.9351 70.0455 174.8797 25 Y 4.3899 7.6500 125.9783 61.2094 38.7847 178.5831 26 G 3.9639 8.6234 106.0084 48.2428 0.0000 174.6518 27 E 4.0117 8.2334 121.5849 59.0501 29.6445 178.8385 28 I 3.4757 8.0571 119.4591 64.3972 37.0198 178.3120 29 A 4.2319 8.3869 121.7877 55.0666 17.5256 180.0092 30 R 3.8964 8.3590 116.8051 59.7499 30.0896 178.2653 31 Y 4.4649 8.5961 119.0914 60.8541 38.8128 178.0653 32 V 4.2624 7.7113 109.8559 60.7523 32.2945 176.0649 33 G 3.8251 9.9142 107.0771 46.9031 0.0000 174.2434 34 M 4.7858 8.3493 114.6760 52.5388 32.5832 175.0482 35 P 4.2830 0.0000 0.0000 65.6376 31.9741 178.0007 36 S 4.6567 8.2237 111.6563 58.6755 63.1160 173.6476 37 Y 4.3867 8.3133 118.4590 58.1871 38.5930 178.2797 38 A 4.0854 8.3395 123.5504 55.4508 18.5949 179.8139 39 R 3.7456 8.0395 116.1943 60.0654 30.1433 179.0917 40 Q 4.1270 7.9785 116.5798 58.6682 28.6241 178.7383 41 V 3.6196 8.4908 120.3784 65.9004 31.5344 178.2754 42 G 3.2363 7.8881 105.4162 47.8126 0.0000 175.7562 43 Q 4.0730 7.7188 119.2769 58.3208 28.9270 178.3278 44 A 3.4239 7.7817 121.9785 55.1588 18.0594 179.6678 45 M 4.0772 7.3221 115.8659 58.5689 32.2280 178.6151 46 K 3.9299 8.2651 118.6068 59.1036 32.3385 176.8307 47 H 4.9858 7.9344 115.6211 55.1075 30.6345 174.6488 48 L 4.7351 7.2471 119.1754 52.7093 44.9439 176.5672 49 H 4.3875 8.3063 119.6422 55.1906 29.2580 174.8778 50 P 4.4330 0.0000 0.0000 65.4375 31.3017 177.5760 51 E 4.0572 8.1171 114.6920 58.2046 30.0126 176.9184 52 T 3.8000 7.6633 114.1306 63.0816 67.9782 173.2595 53 H 4.9314 8.5122 124.0899 55.6730 29.0954 175.1280 54 V 4.4411 7.1215 114.8968 60.4134 34.9088 173.9487 55 P 4.3407 0.0000 0.0000 61.5174 30.5865 177.7545 56 W 4.6211 8.0449 116.1757 60.4847 28.5288 177.2345 57 H 3.7950 6.7940 113.7778 57.3919 28.3802 176.1043 58 R 4.3685 7.8309 120.1048 56.2081 29.8109 175.9115 59 V 4.6503 7.3273 118.8662 61.4180 32.8148 174.4255 60 I 4.4258 7.9706 123.3596 59.1163 41.0832 174.3705 61 N 4.9949 8.3125 118.7684 51.7510 39.3632 176.7073 62 S 4.2432 8.7145 115.6482 61.4779 63.1208 175.7047 63 R 4.0891 8.1068 117.8199 56.4143 29.3341 176.8629 64 G 3.9069 8.7113 104.5166 45.7327 0.0000 173.1828 65 T 4.8827 8.3175 109.9536 59.3664 72.5898 172.9110 66 I 4.3874 8.1198 122.9146 60.8860 37.9011 176.4299 67 S 4.5889 8.7182 122.9220 57.7986 63.6525 174.6232 68 K 4.2974 8.6935 123.1343 56.4769 32.6333 176.6815 69 R 4.6082 8.1530 118.8426 54.9589 33.1522 175.2474 70 D 4.6430 8.8293 121.5070 54.8221 41.4636 176.3602 71 I 4.1684 7.5015 120.3305 62.3522 38.1449 175.4497 72 S 3.2775 7.9520 111.2567 58.9552 63.7176 172.2935 73 A 4.8211 7.7782 120.0733 52.3126 17.7807 179.4931 74 G 3.6548 8.2834 110.0525 49.0875 0.0000 175.5398 75 E 4.1341 8.4489 120.3997 58.6687 29.4894 178.0094 76 Q 3.9454 8.8189 120.0596 59.6308 28.8512 178.7377 77 R 3.8851 8.1889 119.2302 59.6576 30.1334 177.8676 78 Q 3.6484 9.3857 119.4682 59.4771 28.9522 178.3958 79 K 3.5421 7.9168 119.2419 60.0995 31.9488 177.6651 80 D 4.1826 7.9605 118.3484 57.5485 40.8837 178.8977 81 R 4.1522 8.2218 119.7489 58.7018 30.0784 179.1051 82 L 3.6918 7.9568 118.6119 57.6730 41.3371 179.1346 83 E 3.7890 8.3417 118.7778 59.6965 29.3279 179.3661 84 E 4.0745 8.2570 118.4441 59.5731 29.2862 179.3469 85 E 3.2073 7.0114 118.9139 56.9014 29.5329 177.4451 86 G 4.1134 7.3593 108.3263 46.1428 0.0000 174.0193 87 V 3.3292 6.7151 120.3518 59.8767 32.4333 174.9185 88 E 4.0696 8.1901 128.1742 56.7975 29.3838 176.6707 89 I 4.9809 8.1857 124.4455 59.5412 40.6777 174.5008 90 Y 5.0733 8.3604 122.2282 55.4127 41.7396 174.4867 91 Q 5.3591 9.2041 119.0534 54.8960 29.8905 176.7262 92 T 4.7540 8.1363 112.8165 61.9488 68.8752 175.6481 93 S 4.7902 8.6002 113.4774 57.8470 63.8191 174.2407 94 L 4.6150 7.3852 119.2644 55.1210 42.2157 178.1681 95 G 3.8399 7.0951 112.9742 47.6116 0.0000 174.4120 96 E 3.8992 8.8763 118.8958 53.6973 25.0828 174.5470 97 Y 4.4506 7.2436 116.3176 58.0517 39.4008 175.6941 98 K 4.8320 8.8038 124.4447 54.5546 36.0127 174.7657 99 L 5.0507 8.1156 125.7111 53.7575 44.3324 176.4157 100 N 4.5686 9.0282 118.3989 53.0995 37.7204 175.0466 101 L 3.9792 8.6688 126.7808 57.7075 42.3794 176.6088 102 P 4.3418 0.0000 0.0000 65.4907 30.9218 176.9195 103 E 3.4847 7.8873 116.8986 59.7025 29.4964 176.4537 104 Y 4.4898 7.0059 128.3043 58.1766 38.1749 174.6028 105 M 4.7141 8.0839 120.6849 54.1576 35.3512 173.8421 106 W 4.6280 9.5361 135.0000 57.7070 31.8135 176.9790 107 K 4.2139 7.9212 124.9230 54.3659 33.6463 174.0779 108 P 4.1583 0.0000 0.0000 62.7223 30.9208 177.0797 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 4.42 0.00 1.93 2.06 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.62 0.00 2 R 8.88 4.01 0.00 2.07 2.09 0.00 3.32 0.00 0.00 3.17 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 3 M 8.41 4.24 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.59 0.00 4 D 8.20 4.59 0.00 2.81 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 5 E 8.39 4.17 0.00 2.19 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 2.44 2.50 0.00 6 F 8.43 4.09 0.00 3.04 3.38 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 7 Y 8.86 3.29 0.00 3.19 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 8 T 8.06 4.04 4.41 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 1.35 0.00 0.00 9 K 8.37 3.90 0.00 1.91 1.88 0.00 1.76 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.58 1.73 7.81 10 V 7.62 3.26 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 -0.11 0.00 0.00 11 Y 7.51 4.45 0.00 3.27 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 12 D 8.74 4.41 0.00 2.84 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 13 A 8.55 3.96 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 14 V 8.57 3.26 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 1.00 0.00 0.00 0.99 0.00 0.00 15 C 7.81 4.34 0.00 3.31 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 16 E 7.98 4.31 0.00 1.65 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 2.27 2.51 0.00 17 I 6.14 2.92 1.50 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.09 0.64 0.00 0.00 18 P 0.00 4.35 0.00 2.23 2.14 0.00 3.15 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 2.03 1.99 0.00 19 Y 8.48 4.23 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 20 G 8.51 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 0.00 0.00 0.00 21 K 7.43 4.51 0.00 1.80 1.77 0.00 1.65 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.64 1.60 7.81 22 V 8.24 4.54 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 0.58 0.00 0.00 0.97 0.00 0.00 23 S 9.12 4.59 0.00 4.03 3.74 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 24 T 8.17 5.06 4.22 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 1.27 0.00 0.00 25 Y 7.65 4.39 0.00 3.14 2.88 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 26 G 8.62 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 27 E 8.23 4.01 0.00 2.16 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 0.00 2.44 2.57 0.00 28 I 8.06 3.48 2.09 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 1.68 0.83 0.92 0.00 0.00 29 A 8.39 4.23 1.70 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 30 R 8.36 3.90 0.00 2.16 2.04 0.00 3.21 0.00 0.00 3.14 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.92 0.00 31 Y 8.60 4.46 0.00 3.00 3.22 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 32 V 7.71 4.26 2.19 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 0.99 0.00 0.00 1.18 0.00 0.00 33 G 9.91 3.83 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 0.00 0.00 0.00 34 M 8.35 4.79 0.00 1.48 1.98 0.00 0.00 0.00 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.54 0.00 35 P 0.00 4.28 0.00 2.22 2.25 0.00 3.78 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 36 S 8.22 4.66 0.00 4.02 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 37 Y 8.31 4.39 0.00 3.23 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 38 A 8.34 4.09 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 39 R 8.04 3.75 0.00 1.75 1.93 0.00 3.07 0.00 0.00 3.26 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 40 Q 7.98 4.13 0.00 2.37 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.90 0.00 0.00 0.00 0.00 0.00 2.26 2.41 0.00 41 V 8.49 3.62 2.34 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 1.09 0.00 0.00 1.31 0.00 0.00 42 G 7.89 3.24 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 43 Q 7.72 4.07 0.00 2.21 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.89 0.00 0.00 0.00 0.00 0.00 2.35 2.51 0.00 44 A 7.78 3.42 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 M 7.32 4.08 0.00 2.11 2.32 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.95 0.00 46 K 8.27 3.93 0.00 1.79 2.03 0.00 1.79 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.49 7.81 47 H 7.93 4.99 0.00 3.64 3.53 0.00 5.66 0.00 0.00 0.00 0.00 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 L 7.25 4.74 0.00 1.53 1.38 1.05 0.52 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 49 H 8.31 4.39 0.00 3.14 3.45 0.00 5.64 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 P 0.00 4.43 0.00 2.01 2.09 0.00 3.64 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 51 E 8.12 4.06 0.00 2.06 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 2.29 2.24 0.00 52 T 7.66 3.80 4.33 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 53 H 8.51 4.93 0.00 3.17 3.25 0.00 5.69 0.00 0.00 0.00 0.00 8.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.12 4.44 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 0.86 0.00 0.00 0.82 0.00 0.00 55 P 0.00 4.34 0.00 2.05 1.99 0.00 3.46 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 2.14 1.93 0.00 56 W 8.04 4.62 0.00 3.60 3.31 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 57 H 6.79 3.79 0.00 2.77 2.25 0.00 5.44 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 58 R 7.83 4.37 0.00 1.72 1.74 0.00 2.74 0.00 0.00 2.84 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.19 0.00 59 V 7.33 4.65 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 0.82 0.00 0.00 0.96 0.00 0.00 60 I 7.97 4.43 1.95 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 1.18 0.41 0.81 0.00 0.00 61 N 8.31 4.99 0.00 2.92 3.06 0.00 0.00 7.44 8.50 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 62 S 8.71 4.24 0.00 3.92 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 63 R 8.11 4.09 0.00 1.79 2.02 0.00 3.35 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 64 G 8.71 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 65 T 8.32 4.88 4.44 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 1.24 0.00 0.00 66 I 8.12 4.39 2.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.55 1.08 0.00 0.00 67 S 8.72 4.59 0.00 3.97 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 68 K 8.69 4.30 0.00 1.77 1.77 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.46 1.41 7.81 69 R 8.15 4.61 0.00 1.78 1.93 0.00 3.24 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.65 0.00 70 D 8.83 4.64 0.00 2.67 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 I 7.50 4.17 1.86 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 1.46 1.05 0.89 0.00 0.00 72 S 7.95 3.28 0.00 4.12 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 73 A 7.78 4.82 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 74 G 8.28 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 75 E 8.45 4.13 0.00 2.15 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 2.51 2.46 0.00 76 Q 8.82 3.95 0.00 2.31 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.44 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 77 R 8.19 3.89 0.00 2.22 2.25 0.00 3.43 0.00 0.00 3.20 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.96 0.00 78 Q 9.39 3.65 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.66 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 79 K 7.92 3.54 0.00 1.20 1.64 0.00 1.03 0.00 0.00 1.50 0.00 0.00 2.89 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.19 0.91 7.81 80 D 7.96 4.18 0.00 2.78 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 R 8.22 4.15 0.00 1.38 1.43 0.00 3.02 0.00 0.00 3.16 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.34 0.00 82 L 7.96 3.69 0.00 1.72 1.46 0.75 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.34 3.79 0.00 1.99 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 2.19 2.36 0.00 84 E 8.26 4.07 0.00 2.07 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 2.30 2.30 0.00 85 E 7.01 3.21 0.00 1.69 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 2.16 1.98 0.00 86 G 7.36 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 0.00 0.00 0.00 87 V 6.72 3.33 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 0.32 0.00 0.00 0.47 0.00 0.00 88 E 8.19 4.07 0.00 2.24 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 0.00 2.43 2.36 0.00 89 I 8.19 4.98 1.79 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.73 0.86 0.00 0.00 90 Y 8.36 5.07 0.00 3.00 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 91 Q 9.20 5.36 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.78 0.00 0.00 0.00 0.00 0.00 2.23 2.40 0.00 92 T 8.14 4.75 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 1.33 0.00 0.00 93 S 8.60 4.79 0.00 3.97 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 94 L 7.39 4.62 0.00 1.58 1.49 0.90 1.09 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 95 G 7.10 3.84 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 0.00 96 E 8.88 3.90 0.00 1.77 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 2.28 2.29 0.00 97 Y 7.24 4.45 0.00 2.90 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 98 K 8.80 4.83 0.00 1.68 0.74 0.00 1.54 0.00 0.00 1.78 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.13 1.25 7.81 99 L 8.12 5.05 0.00 1.75 1.49 0.91 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 100 N 9.03 4.57 0.00 2.87 2.83 0.00 0.00 6.51 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 0.00 101 L 8.67 3.98 0.00 1.67 1.73 0.95 1.03 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 0.00 102 P 0.00 4.34 0.00 2.06 2.10 0.00 3.88 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 103 E 7.89 3.48 0.00 2.08 1.17 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 2.01 2.11 0.00 104 Y 7.01 4.49 0.00 2.89 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 M 8.08 4.71 0.00 2.19 2.04 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.58 0.00 106 W 9.54 4.63 0.00 3.32 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 0.00 107 K 7.92 4.21 0.00 1.66 1.57 0.00 1.81 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.30 1.54 7.81 108 P 0.00 4.16 0.00 1.99 1.69 0.00 3.11 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.27 0.00