NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4654 8.3044 118.1952 55.1327 32.5854 174.1215 1 V 4.2833 7.8900 118.0105 60.6303 34.4671 173.2753 2 L 4.4220 8.2676 126.9839 53.5819 43.8836 176.8115 3 S 4.5074 8.7051 117.5472 57.7535 65.2284 175.1323 4 E 4.2747 8.8249 122.4076 59.5426 29.3883 179.0669 5 G 3.6016 8.0702 105.3532 47.5895 0.0000 175.5189 6 E 3.8948 7.9822 120.5280 59.1380 29.4431 179.3688 7 W 4.3653 8.1217 118.9459 60.0104 29.0937 178.6028 8 Q 4.1649 8.6145 118.2473 58.9026 27.9716 178.8622 9 L 4.0776 7.9126 119.6790 57.6474 41.6783 179.6942 10 V 3.7646 7.8467 118.1250 66.2744 31.6059 178.2213 11 L 4.2862 8.5862 118.9003 57.5787 41.0475 179.0332 12 H 4.2289 8.5308 118.9777 59.3401 29.8992 177.7540 13 V 3.4213 7.7747 121.0626 64.3617 31.3297 178.1177 14 W 3.9717 8.5705 128.9323 60.1221 30.2799 177.8012 15 A 4.0142 7.9810 120.2127 54.8159 18.1469 179.5148 16 K 3.9504 7.3631 117.0126 59.3861 32.0398 179.4391 17 V 2.8568 7.1222 118.4817 65.9840 31.0256 177.7572 18 E 3.8073 7.5534 115.4460 58.0973 29.3264 178.5194 19 A 4.2037 7.4107 120.0350 53.6380 19.9362 177.6257 20 D 4.6651 7.9298 116.9367 52.1540 42.6085 175.5814 21 V 3.4567 7.8483 122.9957 65.5211 32.0952 176.7813 22 A 4.0607 7.9751 120.2395 55.0412 18.3144 179.7137 23 G 3.7357 8.1410 105.5471 47.8476 0.0000 175.7515 24 H 4.1970 8.2467 119.1968 58.2585 28.6579 178.1367 25 G 3.5763 8.3917 108.0051 47.7276 0.0000 175.4769 26 Q 3.8350 8.1186 122.0576 59.0213 29.0726 177.9376 27 D 4.3188 7.9651 119.8046 57.5559 40.7860 179.1457 28 I 3.6616 7.8441 120.1215 64.4085 37.0629 178.5920 29 L 3.5077 7.6983 119.8217 57.4788 41.2473 179.6706 30 I 3.6444 7.6473 119.8616 64.2348 37.0557 178.3451 31 R 3.7732 7.9994 119.6661 59.2107 29.8149 178.2545 32 L 3.8903 7.8308 120.1045 58.3712 41.9344 179.0759 33 F 4.5393 7.8464 117.8170 60.4457 38.5160 177.9774 34 K 4.0235 8.1252 117.7879 59.6559 31.9834 179.3383 35 S 4.2670 7.8823 114.1547 60.5236 64.2632 174.7340 36 H 4.8072 8.2235 118.0777 52.2668 29.6286 171.9803 37 P 4.5181 0.0000 0.0000 64.5826 31.4759 177.7225 38 E 4.1167 8.2581 116.3211 59.4523 29.3733 179.0849 39 T 3.9790 8.2491 110.9685 64.2864 68.8131 176.3351 40 L 3.8091 7.9772 123.5887 57.8969 41.7855 178.5412 41 E 4.1392 7.7589 116.2926 58.8162 29.4182 178.7677 42 K 4.4283 8.1064 117.3411 56.9988 32.8759 177.5515 43 F 4.5592 8.1325 119.1339 55.3992 38.9288 175.6700 44 D 4.3615 8.4948 124.0816 57.0218 40.9420 178.5104 45 R 4.0693 7.6588 116.0477 57.4018 30.5721 176.7571 46 F 5.0951 7.9676 115.2810 56.9461 40.6645 176.5793 47 K 4.2374 8.1403 118.7104 58.0257 32.5364 177.2055 48 H 4.5236 8.0156 114.6562 56.7126 29.2707 175.4985 49 L 4.0100 7.5948 121.8189 54.8051 41.7426 176.8306 50 K 4.3331 9.4207 123.4971 57.2586 33.5922 176.8995 51 T 4.7374 7.2890 107.5274 58.8790 73.3291 174.2696 52 E 3.9187 8.6216 120.8942 59.2197 29.4823 178.4630 53 A 4.0172 7.9642 120.4880 55.2962 18.2306 179.3369 54 E 3.9299 7.8887 116.0390 59.6134 29.7918 179.1267 55 M 4.1172 8.0597 118.7574 58.4720 31.8570 179.0164 56 K 3.9511 8.3642 117.2293 59.0184 32.2649 178.4992 57 A 4.3870 7.4453 118.8930 51.8951 19.2132 177.1113 58 S 4.3244 7.4847 113.9523 57.5279 62.8530 174.7915 59 E 4.0948 8.8135 128.1847 59.3283 29.3169 178.9446 60 D 4.4712 8.1020 118.8872 57.1704 41.0331 178.2493 61 L 3.4495 8.0888 120.9837 57.7572 42.1105 178.9490 62 K 3.9016 7.9199 119.2809 59.4697 32.1475 178.8829 63 K 4.0094 8.2838 118.8634 59.8452 31.9241 178.8313 64 H 4.4440 8.6364 118.6680 59.0898 29.8153 177.4710 65 G 3.6203 8.2201 107.7693 47.7865 0.0000 175.8607 66 V 3.6191 7.7485 120.3058 65.9740 31.5715 178.1295 67 T 3.8783 7.8741 115.5320 66.6664 68.3426 176.6045 68 V 3.5937 7.8783 119.9442 66.2627 31.5728 178.1730 69 L 4.2880 8.0881 118.5196 57.8347 41.5437 179.6361 70 T 3.9614 8.3658 116.1073 66.5999 68.4872 176.5458 71 A 4.0314 8.0904 122.7552 54.9852 18.3382 179.5119 72 L 3.7677 8.1399 119.0662 58.0909 42.1981 179.1911 73 G 3.5250 8.5968 105.9267 47.9143 0.0000 175.4330 74 A 4.0233 7.6899 121.7275 54.7974 18.7267 179.6296 75 I 3.7923 7.5285 117.8138 64.5976 37.2736 178.6375 76 L 3.9673 7.9104 120.1595 57.7018 41.1643 179.5891 77 K 4.0034 7.7186 116.8012 58.3274 32.2687 178.7402 78 K 3.9630 7.8995 118.2431 56.1127 32.5085 176.6334 79 K 2.0000 8.2729 118.2659 56.4321 29.8560 175.7216 80 G 3.9550 7.9583 106.0941 45.7639 0.0000 173.9469 81 H 4.5568 7.3793 119.2303 55.3622 27.5436 174.9272 82 H 5.1725 7.6881 111.4193 53.9464 29.4124 176.0058 83 E 3.9963 8.4245 120.9120 60.2778 28.8413 178.9221 84 A 4.0823 7.9101 120.0475 54.6956 17.8619 178.9825 85 E 4.0889 8.1718 116.7923 59.4527 29.5251 179.1409 86 L 4.3029 8.1803 118.6750 56.7923 41.7308 179.4974 87 K 3.9851 7.7123 118.3459 59.0416 32.1089 177.5492 88 P 4.3201 0.0000 0.0000 65.5722 31.2748 178.1573 89 L 4.0308 7.5302 117.0468 57.8585 42.0417 178.7641 90 A 4.1528 8.3083 120.9413 55.3643 18.3620 179.3501 91 Q 3.9183 8.2679 118.3427 59.4343 29.1791 178.7188 92 S 4.1064 8.3281 115.2386 61.4562 63.1478 175.6098 93 H 4.3383 8.5776 118.4177 56.7484 27.7168 176.8942 94 A 3.1429 7.6706 122.6444 53.8554 19.2675 179.0243 95 T 3.8424 7.4221 112.2156 65.7460 69.2142 176.5821 96 K 4.0271 7.7545 119.8547 58.5491 32.5370 177.2605 97 Q 4.2497 7.6975 115.2086 54.7310 30.2656 175.5156 98 K 3.0862 6.6667 115.2234 56.7362 29.2401 172.5929 99 I 4.3041 8.2753 119.2379 58.3780 38.3106 174.4462 100 P 4.6548 0.0000 0.0000 62.1985 32.2652 177.4649 101 I 3.6409 8.5103 121.0574 64.5734 36.9034 178.4718 102 K 3.5953 8.0085 119.8202 59.9810 31.8253 178.1132 103 Y 4.1783 7.9498 116.5553 60.6808 37.7923 178.0467 104 L 4.2211 7.8796 119.8026 57.6165 41.7679 179.0752 105 E 4.0272 8.2786 118.8046 59.3370 29.5010 179.2843 106 F 4.5076 7.8524 117.8952 60.8369 38.9577 177.6339 107 I 3.8921 8.1689 118.0354 63.8533 37.7295 178.0851 108 S 4.1895 8.2075 116.4942 61.5122 62.5898 176.1194 109 E 4.0099 8.4157 121.8043 59.3253 29.4093 178.7810 110 A 4.0148 7.9571 120.3833 55.0938 18.3680 179.7050 111 I 3.6878 8.0397 118.4241 64.6769 37.2341 178.7232 112 I 3.8284 7.8859 120.6618 64.5507 36.9141 177.9583 113 H 4.1468 8.5417 119.2500 59.3948 29.6648 177.5654 114 V 3.5554 7.8723 119.9891 65.9269 31.3222 177.9519 115 L 3.7827 7.9308 118.8979 57.9500 41.0687 179.0194 116 H 4.3918 7.9829 117.2795 59.3567 29.8781 177.2739 117 S 4.1514 7.8403 116.3459 61.2316 62.7705 176.1674 118 R 4.1706 7.9499 119.2386 57.0355 31.1542 176.2884 119 H 5.0385 8.1992 116.2379 54.1826 29.7099 173.5125 120 P 4.3544 0.0000 0.0000 65.7929 31.6106 178.9821 121 G 3.6378 8.1439 106.6765 47.5131 0.0000 173.7091 122 N 5.0257 8.2363 115.3716 52.9610 39.3700 174.8459 123 F 4.9478 7.9259 119.8004 56.3972 39.6882 174.5138 124 G 3.9146 7.7564 108.6020 43.9525 0.0000 172.1518 125 A 3.8754 8.4062 120.6319 55.3686 18.3332 179.7149 126 D 4.1918 7.9591 116.5846 57.4896 40.9092 178.7831 127 A 3.9443 7.7542 120.7830 55.0070 18.4456 179.2898 128 Q 3.0543 7.8283 118.5409 58.7975 28.9413 178.6447 129 G 3.5280 8.0420 106.6059 47.7396 0.0000 175.5214 130 A 3.8313 7.8453 123.4114 54.9595 18.3624 179.4183 131 M 3.9976 8.2295 116.9339 58.7197 32.2683 177.8938 132 N 4.2943 8.6599 117.6351 56.5551 39.0465 176.6379 133 K 3.8054 8.2074 120.9159 59.4662 32.2609 178.5155 134 A 3.8097 7.8935 120.9145 55.2431 18.2255 179.6615 135 L 4.1219 8.1804 117.4760 57.7647 41.6157 179.4974 136 E 3.9803 8.5859 119.1651 59.0906 29.3130 179.0146 137 L 3.9389 8.2166 120.6569 58.1075 42.1131 178.5808 138 F 4.1348 8.2778 120.4686 61.6693 39.2163 177.3184 139 R 3.5340 8.2467 117.4800 59.0443 29.9554 179.3087 140 K 3.8958 8.2433 118.4990 59.5932 32.1862 179.2567 141 D 4.3513 8.1999 119.2396 57.3156 40.6386 178.9293 142 I 3.5047 7.7021 120.4786 63.9383 36.9995 178.2684 143 A 3.6615 8.0227 121.9355 54.9233 18.1296 179.5523 144 A 3.9398 7.8074 118.9187 55.2700 18.4658 180.0880 145 K 4.0076 7.9555 116.6175 59.5415 32.0170 179.0061 146 Y 4.4325 8.3353 117.4460 61.3431 38.0060 179.0848 147 K 3.9851 8.0984 118.9000 59.6808 31.9717 179.2965 148 E 4.0390 8.0197 117.5172 59.2361 29.4605 178.8353 149 L 4.3215 7.8468 117.0926 55.2535 41.9723 177.7639 150 G 4.0910 7.7797 106.6739 45.4479 0.0000 172.9232 151 Y 4.5387 8.5889 119.5959 58.8529 40.2490 177.8960 152 Q 3.4606 8.0985 114.5629 61.2419 28.0515 173.7577 153 G 3.5005 5.5555 111.1359 45.6459 0.0000 175.6375 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 0 M 8.30 4.47 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 1 V 7.89 4.28 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 0.90 0.00 0.00 0.95 0.00 0.00 2 L 8.27 4.42 0.00 0.93 0.72 0.60 -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 3 S 8.71 4.51 0.00 4.05 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 4 E 8.82 4.27 0.00 2.19 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 2.52 0.00 5 G 8.07 3.60 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 0.00 0.00 0.00 6 E 7.98 3.89 0.00 1.93 1.69 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 2.20 2.26 0.00 7 W 8.12 4.37 0.00 3.58 3.19 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 8 Q 8.61 4.16 0.00 2.31 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.46 2.71 0.00 9 L 7.91 4.08 0.00 1.87 1.75 0.89 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.85 3.76 2.42 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 1.17 0.00 0.00 0.92 0.00 0.00 11 L 8.59 4.29 0.00 1.83 1.81 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.53 4.23 0.00 3.41 3.56 0.00 5.78 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.77 3.42 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 1.02 0.00 0.00 0.83 0.00 0.00 14 W 8.57 3.97 0.00 3.64 3.20 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 15 A 7.98 4.01 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 16 K 7.36 3.95 0.00 1.53 1.72 0.00 1.66 0.00 0.00 1.49 0.00 0.00 2.72 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.47 7.81 17 V 7.12 2.86 1.06 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 -0.05 0.00 0.00 0.45 0.00 0.00 18 E 7.55 3.81 0.00 1.99 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 2.20 2.05 0.00 19 A 7.41 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 20 D 7.93 4.67 0.00 2.68 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 0.00 0.00 0.00 0.00 21 V 7.85 3.46 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 1.06 0.00 0.00 0.83 0.00 0.00 22 A 7.98 4.06 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 23 G 8.14 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 0.00 0.00 0.00 24 H 8.25 4.20 0.00 3.11 3.24 0.00 5.82 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.39 3.58 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 0.00 26 Q 8.12 3.83 0.00 2.25 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.71 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 27 D 7.97 4.32 0.00 2.80 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 28 I 7.84 3.66 1.89 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 1.52 0.65 0.89 0.00 0.00 29 L 7.70 3.51 0.00 1.44 1.12 0.84 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.65 3.64 1.86 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 1.39 0.64 0.88 0.00 0.00 31 R 8.00 3.77 0.00 1.96 2.08 0.00 3.02 0.00 0.00 2.88 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 32 L 7.83 3.89 0.00 1.66 1.38 1.05 1.05 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 33 F 7.85 4.54 0.00 3.01 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 34 K 8.13 4.02 0.00 1.90 1.83 0.00 1.84 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.56 7.81 35 S 7.88 4.27 0.00 3.83 3.60 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 36 H 8.22 4.81 0.00 3.01 2.76 0.00 5.63 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.52 0.00 2.15 2.11 0.00 3.83 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.09 0.00 38 E 8.26 4.12 0.00 2.28 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 0.00 2.29 2.51 0.00 39 T 8.25 3.98 4.47 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 0.00 0.00 0.00 0.90 0.00 0.00 40 L 7.98 3.81 0.00 1.48 1.77 -0.02 0.74 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 41 E 7.76 4.14 0.00 2.29 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 2.38 2.41 0.00 42 K 8.11 4.43 0.00 1.89 1.71 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.17 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.72 1.97 7.81 43 F 8.13 4.56 0.00 3.24 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 44 D 8.49 4.36 0.00 2.61 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 45 R 7.66 4.07 0.00 1.11 1.50 0.00 3.07 0.00 0.00 3.14 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.49 0.00 46 F 7.97 5.10 0.00 2.86 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 47 K 8.14 4.24 0.00 1.87 2.23 0.00 1.59 0.00 0.00 1.78 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.45 7.81 48 H 8.02 4.52 0.00 3.30 3.47 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 49 L 7.59 4.01 0.00 1.60 1.55 0.81 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.42 4.33 0.00 1.66 1.83 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.49 7.81 51 T 7.29 4.74 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 1.20 0.00 0.00 52 E 8.62 3.92 0.00 2.04 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 2.35 2.35 0.00 53 A 7.96 4.02 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 54 E 7.89 3.93 0.00 2.10 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 2.34 2.33 0.00 55 M 8.06 4.12 0.00 2.03 2.25 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.51 0.00 56 K 8.36 3.95 0.00 1.64 1.84 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.44 1.63 7.81 57 A 7.45 4.39 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 58 S 7.48 4.32 0.00 3.88 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 59 E 8.81 4.09 0.00 2.04 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 2.40 2.35 0.00 60 D 8.10 4.47 0.00 2.96 3.13 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 0.00 0.00 0.00 0.00 61 L 8.09 3.45 0.00 1.08 1.56 0.65 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.92 3.90 0.00 1.87 1.96 0.00 1.67 0.00 0.00 1.77 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 63 K 8.28 4.01 0.00 2.08 1.92 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.81 7.81 64 H 8.64 4.44 0.00 3.61 3.65 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.22 3.62 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 0.00 0.00 0.00 66 V 7.75 3.62 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 1.13 0.00 0.00 0.96 0.00 0.00 67 T 7.87 3.88 4.45 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 1.28 0.00 0.00 68 V 7.88 3.59 2.22 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 1.10 0.00 0.00 1.00 0.00 0.00 69 L 8.09 4.29 0.00 1.80 1.82 0.89 0.68 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 70 T 8.37 3.96 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 1.26 0.00 0.00 71 A 8.09 4.03 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 72 L 8.14 3.77 0.00 1.66 1.67 0.26 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.60 3.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 A 7.69 4.02 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 75 I 7.53 3.79 1.87 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 1.56 1.06 0.92 0.00 0.00 76 L 7.91 3.97 0.00 1.16 1.51 -0.17 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.72 4.00 0.00 1.66 1.80 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.13 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.46 1.52 7.81 78 K 7.90 3.96 0.00 1.84 1.88 0.00 1.75 0.00 0.00 1.61 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.63 1.60 7.81 79 K 8.27 2.00 0.00 1.29 0.74 0.00 1.46 0.00 0.00 1.44 0.00 0.00 2.73 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.40 0.89 7.81 80 G 7.96 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 81 H 7.38 4.56 0.00 3.19 3.23 0.00 5.79 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.69 5.17 0.00 3.29 3.45 0.00 5.66 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.42 4.00 0.00 2.20 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 0.00 2.39 2.35 0.00 84 A 7.91 4.08 1.33 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 0.00 0.00 0.00 85 E 8.17 4.09 0.00 2.27 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 2.48 0.00 86 L 8.18 4.30 0.00 1.96 1.71 1.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.71 3.99 0.00 1.86 1.88 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.63 7.81 88 P 0.00 4.32 0.00 2.30 2.33 0.00 3.77 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 2.11 2.05 0.00 89 L 7.53 4.03 0.00 1.85 1.93 0.97 1.30 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 90 A 8.31 4.15 1.50 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 0.00 0.00 91 Q 8.27 3.92 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 92 S 8.33 4.11 0.00 4.09 4.13 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 0.00 0.00 0.00 0.00 93 H 8.58 4.34 0.00 3.60 3.60 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 7.67 3.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.42 3.84 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 1.13 0.00 0.00 96 K 7.75 4.03 0.00 1.65 1.91 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.39 7.81 97 Q 7.70 4.25 0.00 1.92 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.21 0.00 0.00 0.00 0.00 0.00 2.33 2.22 0.00 98 K 6.67 3.09 0.00 1.87 1.66 0.00 1.49 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.19 0.93 7.81 99 I 8.28 4.30 2.08 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 0.96 1.14 0.00 0.00 100 P 0.00 4.65 0.00 1.97 2.02 0.00 3.16 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 1.46 0.00 101 I 8.51 3.64 1.88 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.96 0.81 0.00 0.00 102 K 8.01 3.60 0.00 1.72 1.65 0.00 1.58 0.00 0.00 1.78 0.00 0.00 3.00 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 0.94 7.81 103 Y 7.95 4.18 0.00 3.25 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 0.00 104 L 7.88 4.22 0.00 1.82 1.81 0.69 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.28 4.03 0.00 2.04 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 0.00 2.32 2.45 0.00 106 F 7.85 4.51 0.00 3.18 2.85 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 0.00 107 I 8.17 3.89 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 1.59 1.39 1.08 0.00 0.00 108 S 8.21 4.19 0.00 4.23 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 0.00 109 E 8.42 4.01 0.00 2.18 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 0.00 2.38 2.41 0.00 110 A 7.96 4.01 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 0.00 111 I 8.04 3.69 2.09 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 1.61 0.71 1.02 0.00 0.00 112 I 7.89 3.83 2.12 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.96 1.13 0.00 0.00 113 H 8.54 4.15 0.00 3.28 3.48 0.00 5.78 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.87 3.56 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 1.00 0.00 0.00 0.98 0.00 0.00 115 L 7.93 3.78 0.00 0.59 0.62 0.76 0.69 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 0.00 116 H 7.98 4.39 0.00 3.49 3.62 0.00 5.95 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.84 4.15 0.00 3.90 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 0.00 118 R 7.95 4.17 0.00 1.51 1.63 0.00 3.10 0.00 0.00 2.97 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.60 0.00 119 H 8.20 5.04 0.00 3.20 3.20 0.00 5.62 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.35 0.00 2.21 2.25 0.00 3.75 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 2.06 1.93 0.00 121 G 8.14 3.64 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 0.00 0.00 0.00 122 N 8.24 5.03 0.00 2.80 2.92 0.00 0.00 6.66 7.11 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 0.00 123 F 7.93 4.95 0.00 2.95 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 0.00 124 G 7.76 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 0.00 125 A 8.41 3.88 1.27 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 0.00 0.00 0.00 126 D 7.96 4.19 0.00 2.65 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 0.00 127 A 7.75 3.94 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 0.00 128 Q 7.83 3.05 0.00 1.21 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.20 2.17 0.00 129 G 8.04 3.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 A 7.85 3.83 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 0.00 131 M 8.23 4.00 0.00 2.40 2.38 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 2.76 2.90 0.00 132 N 8.66 4.29 0.00 2.88 2.92 0.00 0.00 6.86 6.79 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 0.00 133 K 8.21 3.81 0.00 1.92 1.68 0.00 1.58 0.00 0.00 1.57 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.38 7.81 134 A 7.89 3.81 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 0.00 135 L 8.18 4.12 0.00 1.76 1.81 0.99 0.68 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 0.00 136 E 8.59 3.98 0.00 2.14 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 2.34 2.58 0.00 137 L 8.22 3.94 0.00 1.83 1.96 1.08 1.39 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 0.00 138 F 8.28 4.13 0.00 3.12 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 0.00 139 R 8.25 3.53 0.00 1.98 1.86 0.00 3.17 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 2.02 0.00 140 K 8.24 3.90 0.00 2.00 1.82 0.00 1.51 0.00 0.00 1.61 0.00 0.00 3.20 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.49 7.81 141 D 8.20 4.35 0.00 2.72 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 0.00 142 I 7.70 3.50 1.24 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 1.00 -0.12 0.07 0.00 0.00 143 A 8.02 3.66 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 0.00 144 A 7.81 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 0.00 145 K 7.96 4.01 0.00 2.01 1.93 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.63 7.81 146 Y 8.34 4.43 0.00 3.18 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 0.00 147 K 8.10 3.99 0.00 2.08 1.87 0.00 1.64 0.00 0.00 2.05 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.65 7.81 148 E 8.02 4.04 0.00 2.16 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 2.36 2.46 0.00 149 L 7.85 4.32 0.00 1.82 1.72 0.98 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 150 G 7.78 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 0.00 151 Y 8.59 4.54 0.00 2.73 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 0.00 152 Q 8.10 3.46 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.25 0.00 0.00 0.00 0.00 0.00 2.15 2.17 0.00 153 G 5.56 3.50 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 0.00 0.00 0.00