NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1B H 4.7435 8.4449 120.3788 55.5429 31.7453 173.4014 1C H 4.3148 8.0742 115.6928 56.9016 29.0039 173.5332 1D H 4.7249 9.5999 119.3886 56.0761 30.6597 173.7284 1E H 5.0751 7.7284 115.3282 53.6418 32.6711 172.2044 1F H 4.6609 8.8675 116.8969 55.9101 28.9775 174.3715 1G F 4.8664 8.3904 119.2821 57.8792 39.8957 173.9250 2 N 4.6329 8.5603 117.0544 52.3557 39.1237 174.4531 3 L 4.7685 8.0627 123.2579 52.0003 43.9418 174.6893 4 P 4.5399 0.0000 0.0000 61.7261 32.1132 174.8682 5 P 4.2653 0.0000 0.0000 64.8932 31.6470 176.7681 6 G 3.7929 7.7928 107.8341 45.1210 0.0000 170.7343 7 N 4.4773 8.0180 115.4558 51.6148 40.2905 173.6602 8 Y 4.9248 7.8658 112.8725 57.9150 38.4264 177.2394 9 K 4.1243 8.6213 122.8180 58.8338 32.2152 177.0559 10 K 4.7512 7.5903 115.2421 53.2942 36.0247 173.6967 11 P 4.7514 0.0000 0.0000 63.3295 32.3046 175.2211 12 K 4.8614 9.2832 119.2897 55.3425 37.5059 174.8380 13 L 5.1091 9.1136 121.3438 53.2903 44.4429 176.2644 14 L 5.0015 8.6012 123.1075 53.5180 43.0938 174.5304 15 Y 4.7332 9.2991 127.2181 56.8959 40.3789 173.7171 16 C 4.0844 8.5976 128.8301 57.9099 32.0833 174.2393 17 S 3.9328 8.0733 122.2829 60.7338 62.5135 175.5348 18 N 4.1727 7.9948 119.2231 56.2213 38.7582 175.4763 19 G 3.8320 7.5754 102.5512 44.6396 0.0000 173.4440 20 G 3.5251 7.7380 107.3523 43.4299 0.0000 173.4996 21 H 4.5631 7.1761 116.2966 54.8485 30.7824 174.1343 22 F 5.2600 8.9256 120.6701 55.9386 40.7980 175.2559 23 L 4.4736 9.0758 126.0865 55.3851 43.2910 175.5855 24 R 4.8928 9.3079 126.3713 54.6117 33.4425 173.8686 25 I 4.6295 8.2553 127.2812 59.5547 38.5052 175.5497 26 N 4.5037 8.9754 125.5087 51.9260 39.2635 174.9749 27 P 4.1856 0.0000 0.0000 65.8194 31.4306 177.4535 28 D 4.4595 7.9264 114.6583 54.0119 39.7622 177.0006 29 G 4.1190 8.4904 110.3891 45.1521 0.0000 173.9360 30 T 4.4528 8.4066 110.6248 61.1527 69.7338 173.7143 31 V 4.8490 7.9884 121.8664 61.2717 34.6985 174.6094 32 D 4.5324 8.5898 125.8100 53.0446 42.8533 174.0753 33 G 4.5787 8.5085 104.5687 45.5956 0.0000 172.0579 34 T 4.9817 8.8344 114.2722 60.6275 71.1470 174.5771 35 R 4.3004 8.8210 123.8083 56.3949 31.0557 176.2504 36 D 4.6635 8.3653 119.7254 53.2755 40.4555 176.9920 37 R 3.8222 8.6130 126.8159 58.2120 30.2605 178.1253 38 S 4.3067 8.0770 111.6476 59.1200 63.6813 174.2827 39 D 4.3474 7.6506 121.3233 55.1395 41.1302 175.9803 40 Q 4.5073 8.4952 122.9945 56.1608 29.2658 175.7847 41 H 4.9182 9.3257 116.1263 55.4452 29.1743 175.2554 42 I 4.6316 7.5105 110.8757 59.8202 38.7239 175.1860 43 Q 4.2232 7.8788 121.8461 55.7766 29.6836 174.7049 44 L 4.9374 9.0829 124.9706 52.7886 45.3080 175.3875 45 Q 4.8277 9.2127 124.7689 54.5386 30.6810 174.5053 46 L 5.1787 8.5736 126.6202 53.9677 43.6404 176.1435 47 S 4.5611 8.4198 114.5009 56.9268 66.6815 173.0155 48 A 4.6731 8.4362 123.1301 52.4313 20.1985 176.2940 49 E 4.1884 8.7630 119.7647 56.5397 29.7611 179.0247 50 S 4.5677 5.8100 115.4066 56.8586 64.7719 173.4681 51 V 3.8921 8.1887 121.4933 64.7927 31.6084 176.2481 52 G 3.9503 9.2217 114.6961 45.2576 0.0000 171.9223 53 E 5.2440 8.1733 119.6308 54.7036 32.1653 175.5802 54 V 4.8493 8.9218 115.9141 60.0187 36.7373 173.9480 55 Y 5.1684 8.7670 120.4900 56.5954 41.0675 175.1919 56 I 4.4350 8.5548 121.9874 59.6453 40.6418 174.0048 57 K 4.6425 8.8023 129.4034 54.0448 34.9809 175.1178 58 S 4.4999 8.8347 123.2208 58.4968 62.6226 174.9117 59 T 3.9091 8.4803 118.5086 64.3762 68.7849 175.8993 60 E 4.0622 8.3269 122.7810 58.3913 29.8825 176.9602 61 T 4.3207 7.8204 105.9246 60.6588 70.0979 175.4093 62 G 3.8083 8.0795 110.0116 45.4575 0.0000 173.7537 63 Q 4.4569 7.4876 119.1202 55.9183 30.4118 174.5124 64 Y 4.7481 8.7727 119.6919 55.9341 40.6448 175.1765 65 L 4.4947 8.9965 126.1966 55.3612 43.3901 175.6131 66 A 5.0927 8.7484 126.1615 50.5593 23.2024 174.3059 67 M 5.3041 8.7574 119.4921 53.8835 34.8257 175.6510 68 D 5.2522 9.5388 126.1155 51.7627 41.2575 176.9115 69 T 4.2231 8.4881 108.0109 63.7080 68.7739 174.5244 70 D 4.6395 8.3781 120.9399 54.0577 41.5171 176.9078 71 G 3.0196 8.4281 108.4306 45.2992 0.0000 172.8166 72 L 4.8019 7.8717 119.4662 52.6154 43.3455 176.1172 73 L 5.0241 8.3072 122.6536 55.2422 42.7858 175.5063 74 Y 4.9358 8.8647 119.1473 56.2116 42.0062 173.3454 75 G 4.2930 9.0792 108.6394 45.2097 0.0000 173.2348 76 S 5.1121 9.0513 120.9916 56.7644 64.0995 175.2988 77 Q 4.1730 9.0323 124.9905 58.1262 28.9558 176.3220 78 T 4.6297 7.6259 106.3010 58.9141 71.6677 172.3599 79 P 3.9639 0.0000 0.0000 61.3128 30.5632 174.0598 80 N 5.2182 7.9105 123.7059 50.7818 40.3314 174.5816 81 E 3.8795 8.7797 114.3068 59.8679 29.1989 178.2327 82 E 4.0672 8.7450 117.6264 57.6444 29.6939 177.3495 83 C 5.0653 7.9092 115.2689 58.6132 29.3264 173.4089 84 L 4.2546 7.0592 121.2722 53.7101 42.6865 175.8690 85 F 5.0953 8.9348 121.8956 55.5156 43.3785 174.4439 86 L 4.8700 9.1808 122.7892 53.8616 42.6042 175.4058 87 E 4.5677 8.7674 126.6423 55.1571 30.4164 175.6744 88 R 4.8117 8.5690 125.2069 54.0205 34.8690 174.5357 89 L 4.6910 8.7010 124.0310 55.2890 43.1182 175.8634 90 E 4.6957 9.1762 125.1819 55.2745 33.6125 174.8635 91 E 4.0096 9.7532 123.6863 57.6223 27.2988 174.1971 92 N 4.3113 8.4831 110.8887 54.1391 36.4903 173.9996 93 H 4.8185 8.3971 117.0048 57.5469 37.7062 173.5039 94 Y 4.6869 7.7445 116.1394 57.4485 40.0793 173.5838 95 N 5.5621 9.6049 118.3687 52.0083 41.0682 174.6536 96 T 5.2547 8.9261 112.8906 60.1651 72.8049 172.7440 97 Y 4.9846 8.6109 119.0514 56.6359 41.5496 174.1715 98 I 4.5709 8.4951 125.9598 59.0796 39.6292 175.4825 99 S 3.9148 8.7851 122.0153 58.7153 62.4109 174.0885 100 K 3.9528 8.7120 129.2693 59.3424 32.2493 178.7640 101 K 3.7968 7.8673 118.2269 58.9542 32.3306 176.5885 102 H 4.7322 7.9663 115.3837 54.9802 29.6396 176.2335 103 A 3.9548 7.7589 125.7562 55.1921 18.2967 180.7335 104 E 3.8924 7.7990 112.1848 58.4253 29.7926 177.6964 105 K 3.9612 7.5396 117.5007 55.7527 32.7965 175.8691 106 N 3.9561 7.4165 115.4931 53.9531 36.5092 174.6332 107 W 5.0955 7.6883 117.4842 55.7418 31.0780 177.2327 108 F 5.4281 9.1612 123.8757 55.4663 41.1888 175.7123 109 V 3.9449 8.9716 121.9957 63.1056 32.5301 175.2424 110 G 4.4519 8.5733 112.5912 45.3671 0.0000 171.4647 111 L 5.3052 8.4562 120.7440 52.5401 45.3349 177.1876 112 K 4.2192 8.9949 123.0380 55.3204 33.0456 178.3904 113 K 3.9478 8.4027 119.4951 59.4061 31.9409 178.0087 114 N 4.5437 8.0423 113.7514 52.8192 37.7583 175.9346 115 G 3.5388 8.1717 109.2407 45.2256 0.0000 173.9730 116 S 4.6572 8.5608 115.4307 57.5852 64.1106 173.4126 117 C 4.7708 8.2337 117.0866 58.1124 30.4239 173.4066 118 K 4.3155 8.7665 120.8482 56.4184 32.9359 176.5214 119 R 4.3712 8.3114 120.8873 54.7083 31.9324 177.5513 120 G 3.2830 8.9275 113.9876 48.2424 0.0000 174.1378 121 P 4.4903 0.0000 0.0000 64.4787 31.3943 177.2799 122 R 4.4578 7.8940 116.0120 55.9600 30.2908 176.0147 123 T 5.2383 7.4895 108.1296 59.7347 71.0513 173.1769 124 H 4.7700 7.8695 115.4289 54.9163 30.6465 172.9843 125 Y 3.9504 8.7186 118.2978 59.8725 38.1012 177.1850 126 G 4.0479 9.0105 111.3387 45.4602 0.0000 174.0012 127 Q 4.1973 7.3477 118.7082 55.3502 29.8308 177.0798 128 K 3.8600 8.2751 118.6879 58.5467 32.9051 179.4298 129 A 3.9894 8.0615 121.1081 53.8549 18.3423 178.3993 130 I 4.4495 7.1758 106.0252 60.2866 38.5436 175.2230 131 L 4.3920 7.2453 122.9154 53.9297 42.7024 175.7924 132 F 5.3806 9.4035 122.5774 55.5010 43.3068 174.0605 133 L 5.2783 9.2876 122.7911 52.7428 45.2354 173.5881 134 P 5.1024 0.0000 0.0000 62.7521 31.9522 175.4299 135 L 4.9766 9.0691 125.7118 51.8367 44.5409 174.7422 136 P 4.6330 0.0000 0.0000 62.8530 32.3823 176.7647 137 V 3.7634 8.1491 113.2121 61.7961 31.6388 176.2794 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 1B H 8.44 4.74 0.00 3.07 3.34 0.00 5.72 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1C H 8.07 4.31 0.00 3.24 3.39 0.00 5.74 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1D H 9.60 4.72 0.00 3.07 3.22 0.00 5.64 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 1E H 7.73 5.08 0.00 3.15 3.32 0.00 5.71 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1F H 8.87 4.66 0.00 3.33 3.42 0.00 5.66 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1G F 8.39 4.87 0.00 2.92 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 2 N 8.56 4.63 0.00 2.95 2.78 0.00 0.00 6.88 6.74 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 3 L 8.06 4.77 0.00 1.48 1.41 0.61 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.54 0.00 2.17 2.14 0.00 3.69 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 1.98 1.93 0.00 5 P 0.00 4.27 0.00 2.17 2.20 0.00 3.75 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 6 G 7.79 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 N 8.02 4.48 0.00 2.58 2.63 0.00 0.00 5.79 7.55 0.00 0.00 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 Y 7.87 4.92 0.00 3.04 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 9 K 8.62 4.12 0.00 1.83 1.90 0.00 1.64 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.53 7.81 10 K 7.59 4.75 0.00 1.70 1.68 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.40 7.81 11 P 0.00 4.75 0.00 2.06 2.04 0.00 3.74 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 12 K 9.28 4.86 0.00 1.65 1.84 0.00 1.69 0.00 0.00 1.78 0.00 0.00 2.84 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.59 1.64 7.81 13 L 9.11 5.11 0.00 1.64 1.63 0.34 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.60 5.00 0.00 1.56 1.61 0.35 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 9.30 4.73 0.00 3.32 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 C 8.60 4.08 0.00 2.48 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 0.00 0.00 0.00 0.00 17 S 8.07 3.93 0.00 3.91 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 18 N 7.99 4.17 0.00 2.51 2.63 0.00 0.00 6.74 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 19 G 7.58 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 20 G 7.74 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 21 H 7.18 4.56 0.00 3.02 3.24 0.00 5.80 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 F 8.93 5.26 0.00 3.05 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 23 L 9.08 4.47 0.00 1.84 1.53 0.95 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 24 R 9.31 4.89 0.00 1.92 2.02 0.00 3.18 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.79 0.00 25 I 8.26 4.63 1.84 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.71 0.89 0.00 0.00 26 N 8.98 4.50 0.00 2.95 2.67 0.00 0.00 6.68 8.56 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 27 P 0.00 4.19 0.00 1.99 2.11 0.00 3.54 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.93 0.00 28 D 7.93 4.46 0.00 2.77 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.49 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 0.00 0.00 0.00 30 T 8.41 4.45 4.25 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 1.25 0.00 0.00 31 V 7.99 4.85 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 0.85 0.00 0.00 0.96 0.00 0.00 32 D 8.59 4.53 0.00 2.84 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 33 G 8.51 4.58 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 34 T 8.83 4.98 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 1.36 0.00 0.00 35 R 8.82 4.30 0.00 1.88 1.99 0.00 3.21 0.00 0.00 3.09 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.51 0.00 36 D 8.37 4.66 0.00 2.82 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 37 R 8.61 3.82 0.00 1.82 1.84 0.00 3.29 0.00 0.00 3.27 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.76 0.00 38 S 8.08 4.31 0.00 3.98 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 39 D 7.65 4.35 0.00 2.82 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 40 Q 8.50 4.51 0.00 1.91 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.19 0.00 0.00 0.00 0.00 0.00 2.28 2.21 0.00 41 H 9.33 4.92 0.00 3.30 3.46 0.00 5.76 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 42 I 7.51 4.63 1.92 0.00 0.00 0.61 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 1.32 1.06 0.00 0.00 43 Q 7.88 4.22 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.89 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 44 L 9.08 4.94 0.00 1.47 1.43 0.81 0.49 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 45 Q 9.21 4.83 0.00 2.08 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 46 L 8.57 5.18 0.00 1.68 1.33 0.90 1.05 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 47 S 8.42 4.56 0.00 3.92 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 48 A 8.44 4.67 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 49 E 8.76 4.19 0.00 1.77 1.53 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 2.17 2.33 0.00 50 S 5.81 4.57 0.00 4.26 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 51 V 8.19 3.89 2.33 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 0.98 0.00 0.00 1.04 0.00 0.00 52 G 9.22 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 53 E 8.17 5.24 0.00 2.07 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 2.21 2.29 0.00 54 V 8.92 4.85 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 0.62 0.00 0.00 1.17 0.00 0.00 55 Y 8.77 5.17 0.00 3.00 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 56 I 8.55 4.43 1.73 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.66 0.67 0.00 0.00 57 K 8.80 4.64 0.00 1.36 1.49 0.00 1.24 0.00 0.00 1.14 0.00 0.00 2.66 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.91 0.26 7.81 58 S 8.83 4.50 0.00 3.83 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 59 T 8.48 3.91 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 1.16 0.00 0.00 60 E 8.33 4.06 0.00 1.97 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 0.00 2.04 2.32 0.00 61 T 7.82 4.32 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 1.26 0.00 0.00 62 G 8.08 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 63 Q 7.49 4.46 0.00 1.95 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.87 6.73 0.00 0.00 0.00 0.00 0.00 2.53 2.33 0.00 64 Y 8.77 4.75 0.00 2.93 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 65 L 9.00 4.49 0.00 1.60 1.46 0.80 0.10 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 66 A 8.75 5.09 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 67 M 8.76 5.30 0.00 2.19 2.23 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.63 0.00 68 D 9.54 5.25 0.00 2.97 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 69 T 8.49 4.22 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 1.34 0.00 0.00 70 D 8.38 4.64 0.00 2.78 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 G 8.43 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 0.00 0.00 0.00 72 L 7.87 4.80 0.00 2.06 1.58 0.80 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.31 5.02 0.00 1.56 1.61 0.89 0.86 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 74 Y 8.86 4.94 0.00 2.99 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 75 G 9.08 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 0.00 0.00 0.00 0.00 76 S 9.05 5.11 0.00 3.69 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 77 Q 9.03 4.17 0.00 2.15 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.56 0.00 0.00 0.00 0.00 0.00 2.44 2.34 0.00 78 T 7.63 4.63 4.17 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 1.22 0.00 0.00 79 P 0.00 3.96 0.00 0.78 0.49 0.00 3.45 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.27 0.00 80 N 7.91 5.22 0.00 2.91 2.94 0.00 0.00 5.89 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 81 E 8.78 3.88 0.00 2.11 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 0.00 2.36 2.33 0.00 82 E 8.74 4.07 0.00 2.24 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 83 C 7.91 5.07 0.00 3.22 3.25 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 84 L 7.06 4.25 0.00 1.45 1.29 0.77 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 85 F 8.93 5.10 0.00 3.10 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 86 L 9.18 4.87 0.00 1.51 1.59 0.87 1.00 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 87 E 8.77 4.57 0.00 2.15 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 2.18 1.91 0.00 88 R 8.57 4.81 0.00 1.76 1.78 0.00 3.11 0.00 0.00 2.87 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.61 0.00 89 L 8.70 4.69 0.00 1.73 1.68 1.02 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 90 E 9.18 4.70 0.00 2.22 1.87 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 2.31 2.45 0.00 91 E 9.75 4.01 0.00 2.40 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 0.00 2.30 2.40 0.00 92 N 8.48 4.31 0.00 2.84 2.89 0.00 0.00 6.87 8.16 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 93 H 8.40 4.82 0.00 2.85 2.94 0.00 5.94 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 94 Y 7.74 4.69 0.00 3.00 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 95 N 9.60 5.56 0.00 2.99 2.52 0.00 0.00 6.96 6.98 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 96 T 8.93 5.25 4.57 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 0.00 0.00 1.38 0.00 0.00 97 Y 8.61 4.98 0.00 2.76 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 I 8.50 4.57 1.63 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.38 0.62 0.00 0.00 99 S 8.79 3.91 0.00 4.06 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 0.00 100 K 8.71 3.95 0.00 1.67 1.66 0.00 1.67 0.00 0.00 1.44 0.00 0.00 2.79 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.28 7.81 101 K 7.87 3.80 0.00 1.73 1.63 0.00 1.79 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.99 1.30 7.81 102 H 7.97 4.73 0.00 3.23 2.56 0.00 5.68 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 0.00 103 A 7.76 3.95 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 0.00 104 E 7.80 3.89 0.00 1.88 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 0.00 2.09 2.14 0.00 105 K 7.54 3.96 0.00 0.79 0.98 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.49 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.97 0.83 7.81 106 N 7.42 3.96 0.00 3.04 3.06 0.00 0.00 6.89 7.25 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 0.00 107 W 7.69 5.10 0.00 3.28 3.01 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 0.00 0.00 0.00 108 F 9.16 5.43 0.00 2.85 3.01 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 0.00 0.00 0.00 109 V 8.97 3.94 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 0.63 0.00 0.00 0.46 0.00 0.00 110 G 8.57 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 0.00 0.00 0.00 0.00 111 L 8.46 5.31 0.00 1.45 1.44 1.01 0.84 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 0.00 112 K 8.99 4.22 0.00 1.88 1.68 0.00 1.62 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.40 1.49 7.81 113 K 8.40 3.95 0.00 1.70 1.84 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.36 7.81 114 N 8.04 4.54 0.00 2.78 2.89 0.00 0.00 6.20 7.00 0.00 0.00 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 G 8.17 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 S 8.56 4.66 0.00 3.93 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 0.00 117 C 8.23 4.77 0.00 3.00 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 0.00 118 K 8.77 4.32 0.00 1.62 1.74 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.27 7.81 119 R 8.31 4.37 0.00 1.63 1.62 0.00 3.06 0.00 0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 120 G 8.93 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 P 0.00 4.49 0.00 1.99 2.24 0.00 3.10 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.93 0.00 122 R 7.89 4.46 0.00 1.87 1.93 0.00 3.29 0.00 0.00 3.29 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.66 0.00 123 T 7.49 5.24 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 1.38 0.00 0.00 124 H 7.87 4.77 0.00 3.45 3.53 0.00 5.67 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 Y 8.72 3.95 0.00 3.16 2.93 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 0.00 126 G 9.01 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 0.00 127 Q 7.35 4.20 0.00 1.88 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.71 0.00 0.00 0.00 0.00 0.00 2.16 1.97 0.00 128 K 8.28 3.86 0.00 1.63 1.64 0.00 1.53 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.27 7.81 129 A 8.06 3.99 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 I 7.18 4.45 1.70 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.85 0.49 0.00 0.00 131 L 7.25 4.39 0.00 0.97 0.57 0.46 0.66 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 0.00 132 F 9.40 5.38 0.00 3.40 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 0.00 133 L 9.29 5.28 0.00 2.06 1.77 0.81 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 5.10 0.00 2.22 2.23 0.00 3.90 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.10 0.00 135 L 9.07 4.98 0.00 1.68 1.63 0.91 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 136 P 0.00 4.63 0.00 2.06 2.05 0.00 3.77 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.99 0.00 137 V 8.15 3.76 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 0.64 0.00 0.00 0.91 0.00 0.00