NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4630 8.3044 118.1945 55.1221 32.6113 173.6294 1 V 4.2669 7.9148 116.9359 60.8819 34.3837 173.3508 2 L 4.3990 8.2856 127.1968 53.6500 43.7940 176.8906 3 S 4.5266 8.2238 117.6458 57.7491 65.4048 175.2090 4 E 4.3031 8.8163 122.5556 59.3600 29.2217 179.0823 5 G 3.6462 8.0898 105.5511 47.6548 0.0000 175.4745 6 E 3.9092 7.7858 119.4536 59.1210 29.5268 179.2784 7 W 4.4987 7.9362 118.9179 60.1972 29.1037 178.6373 8 Q 4.1799 8.3303 117.8855 58.9072 27.8246 178.7971 9 L 4.0894 7.8368 120.2840 57.6186 41.7279 179.6291 10 V 3.7644 7.9594 118.1401 66.2977 31.6573 178.1603 11 L 4.3204 8.6252 118.6074 57.4250 41.1249 178.9749 12 H 4.2679 8.4739 118.9467 59.2376 29.8468 177.4642 13 V 3.5191 7.7573 119.9289 65.6119 31.3340 177.7630 14 W 4.0630 8.3908 127.8959 60.3714 30.2577 177.7190 15 A 3.9823 7.8871 119.9742 54.9539 18.0582 179.5167 16 K 3.9318 7.4222 116.7257 59.5212 32.0546 179.4716 17 V 2.9038 7.1767 118.3598 65.9457 31.0585 177.6170 18 E 3.8481 7.5735 115.1742 57.9413 29.2537 178.5654 19 A 4.2550 7.6329 120.9990 53.7534 19.6276 177.3990 20 D 4.5849 8.0084 117.1157 51.9151 42.2269 175.5948 21 V 3.4550 8.0220 123.1182 65.2829 31.8983 176.8905 22 A 4.0644 7.9594 120.2653 55.1095 18.3093 179.6945 23 G 3.6974 8.1285 105.4457 47.6971 0.0000 175.7664 24 H 4.1748 8.1155 118.5709 58.3018 28.8193 177.8771 25 G 3.6728 8.1219 107.6766 47.9528 0.0000 175.2274 26 Q 3.8361 8.2169 122.6217 58.9616 29.1269 177.8456 27 D 4.3385 7.9473 119.7255 57.7258 40.8888 179.3901 28 I 3.7038 7.6166 119.7910 64.3475 37.1910 178.5467 29 L 3.5208 7.6014 119.5611 57.5207 41.2748 179.6694 30 I 3.6935 7.5797 119.8999 64.0309 37.0146 178.1660 31 R 3.7781 7.9239 119.7107 59.4000 29.7883 178.3295 32 L 3.9100 7.6998 119.7199 58.1512 41.9914 178.8418 33 F 4.4906 7.8055 117.6484 60.6178 38.6286 177.7957 34 K 3.9628 8.0263 116.6047 59.7511 32.0107 179.2455 35 S 4.2476 7.8614 113.8482 60.7183 64.1843 174.8795 36 H 4.6931 8.4211 118.5042 52.0248 29.3759 171.8989 37 P 4.6031 0.0000 0.0000 64.5844 31.3661 177.5777 38 E 4.5164 8.4878 117.4972 58.8710 29.3864 179.1048 39 T 3.7627 8.2701 111.3684 64.4056 68.9166 176.3468 40 L 3.7787 8.0063 123.3314 57.7990 41.8698 178.6163 41 E 4.1147 8.0794 118.5689 58.9114 29.0971 178.9817 42 K 4.3774 8.0842 117.5266 57.2053 32.9301 177.5416 43 F 4.4875 8.0335 118.4314 55.7631 38.7540 176.0009 44 D 4.4884 8.3591 123.8165 56.4386 40.8224 177.9026 45 R 3.9397 7.6770 118.6286 58.1144 30.4505 176.4425 46 F 5.0262 7.7635 115.0651 57.0527 41.1079 177.3706 47 K 4.0743 8.2065 121.6664 59.6769 32.1907 176.7325 48 H 4.4578 8.0940 112.2830 57.1422 29.1071 175.4466 49 L 4.1774 7.8242 121.9201 54.7947 41.7242 176.7174 50 K 4.3605 9.4259 123.6159 57.2946 33.7805 176.9685 51 T 4.7401 7.2877 107.2855 58.8400 73.2302 174.2158 52 E 3.9146 8.6777 121.1183 59.3110 29.4372 178.6039 53 A 3.8786 7.9646 120.4184 55.2641 18.2340 179.3181 54 E 3.9253 7.6108 114.5788 59.6115 29.9244 179.1397 55 M 4.1203 8.0177 118.6912 58.5724 31.8994 178.8755 56 K 3.8704 8.6099 117.7345 58.8195 32.3006 178.1233 57 A 4.6121 7.2742 117.9280 50.8991 19.6865 177.1185 58 S 4.2630 7.4396 113.6371 57.8264 63.6801 174.2629 59 E 4.0692 8.8149 129.4089 58.6461 29.6267 178.2644 60 D 4.4696 8.0814 119.0146 57.2295 41.0486 178.0269 61 L 3.4076 7.8818 120.8612 57.9406 42.0050 178.8924 62 K 3.8883 7.6798 119.2803 59.4261 32.1855 178.8930 63 K 4.0109 8.0337 118.4745 59.8015 32.0383 178.8598 64 H 4.4381 8.6010 118.6707 59.2289 29.8688 177.5762 65 G 3.6187 8.3396 107.7258 47.5385 0.0000 175.9733 66 V 3.6443 7.6172 120.2750 66.1687 31.6294 178.2938 67 T 3.8921 7.8731 115.2696 66.5090 68.2474 176.8920 68 V 3.6142 7.8341 120.1434 66.1503 31.5640 178.2008 69 L 4.2685 7.9497 118.4834 57.8813 41.5656 179.6250 70 T 3.9608 8.3853 116.0981 66.5782 68.4441 176.6470 71 A 4.0328 8.0180 122.5966 54.9715 18.4803 179.4889 72 L 3.7603 8.2221 119.1422 58.1100 42.2232 179.2814 73 G 3.5255 8.5944 105.8627 47.8177 0.0000 175.4695 74 A 4.0178 7.5697 121.6293 54.9406 18.7059 179.5535 75 I 3.7869 7.4843 117.8966 64.5224 37.1733 178.7222 76 L 4.0141 7.5549 119.6758 57.5686 41.1833 179.4805 77 K 4.0145 7.6030 116.7988 58.3318 32.2911 178.8009 78 K 3.9792 7.6974 117.9792 56.2036 32.1916 176.8861 79 K 2.0000 8.1704 117.8663 56.8187 29.9826 175.6225 80 G 4.0880 8.0432 106.5356 46.1039 0.0000 174.9684 81 H 4.8236 7.6699 118.4383 54.0277 27.1646 174.5121 82 H 5.0873 7.4147 112.7721 55.0113 29.8801 176.3705 83 E 3.9485 8.6320 121.1396 60.4465 28.9663 179.2507 84 A 4.1368 7.8980 118.3502 55.2755 18.7626 179.0924 85 E 4.0837 8.1535 116.6753 59.3323 29.5655 179.1079 86 L 4.0683 8.2246 120.7242 57.6157 42.1039 179.1791 87 K 4.0054 7.8075 118.1846 58.9881 32.1212 177.5813 88 P 4.4020 0.0000 0.0000 65.2312 31.3685 178.2288 89 L 4.0062 7.4741 117.8515 58.1731 41.5842 178.7257 90 A 4.2499 8.2691 120.8808 55.1298 18.3018 179.4500 91 Q 3.9665 8.2687 118.4228 59.4436 29.1155 178.6659 92 S 4.2086 8.3201 115.1648 61.0130 62.9965 175.0165 93 H 4.7013 8.2502 117.2414 55.5398 28.7016 175.7572 94 A 3.8578 7.4583 121.7531 51.6747 20.9132 177.0000 95 T 4.1868 7.7714 107.1679 63.3786 69.8790 174.8240 96 K 3.9716 8.2625 120.6514 59.0739 32.1937 176.4119 97 V 4.4703 7.1853 108.4487 59.3847 35.9596 175.1996 98 K 4.0107 8.4012 121.3632 54.8652 33.7372 176.2467 99 I 4.4355 8.3129 128.3924 58.5869 38.2167 174.5012 100 P 4.7100 0.0000 0.0000 62.2103 32.2215 177.5854 101 I 3.6725 9.9813 121.8157 64.3659 36.8786 178.4335 102 K 3.5682 8.0009 120.0167 60.0671 31.8498 178.2118 103 Y 4.1993 7.8565 116.2709 60.8800 37.6791 178.3864 104 L 4.2020 7.8722 119.8106 57.7158 41.7809 179.0909 105 E 4.0122 8.2173 118.6750 59.4198 29.3928 179.3447 106 F 4.5055 7.9515 117.8389 60.7933 38.9833 177.5689 107 I 3.9361 8.1608 118.0523 63.7272 37.8062 177.9747 108 S 4.2195 8.4112 116.6172 61.6736 62.7019 176.2455 109 E 4.0264 8.4180 121.7096 59.2983 29.3673 178.7590 110 A 4.1049 8.1001 120.8482 54.9556 18.3065 179.7672 111 I 3.7087 7.9055 118.6430 64.7095 37.2210 178.7058 112 I 3.8486 7.8637 120.6102 64.4141 36.8732 177.9398 113 H 4.0740 8.3232 119.1751 59.4309 29.7973 177.5594 114 V 3.5828 8.0124 120.0355 65.9644 31.3007 177.9958 115 L 3.8264 8.0177 119.0039 57.7624 41.0438 178.8695 116 H 4.3364 7.8262 117.3777 59.4791 29.8914 177.2587 117 S 4.1850 7.8378 115.8160 61.3485 62.8142 176.2039 118 R 4.2419 7.7496 118.0399 56.6781 31.2778 176.1362 119 H 5.0503 8.2503 116.5725 54.0546 29.7559 173.3130 120 P 4.2868 0.0000 0.0000 65.8635 31.5396 178.6758 121 G 3.7789 8.0874 105.6514 46.9590 0.0000 173.4890 122 N 5.0450 8.2857 115.7815 52.9879 39.7780 174.4209 123 F 4.9329 7.8528 119.7059 56.5621 39.6469 174.3385 124 G 3.8628 7.7633 108.6143 43.9482 0.0000 172.3293 125 A 3.8889 8.4327 120.7356 55.4059 18.2276 179.5662 126 D 4.1850 7.9754 116.3943 57.5286 40.9984 178.7703 127 A 3.9471 7.7915 120.7104 55.1715 18.3596 179.3248 128 Q 3.3177 8.0819 118.6439 58.7921 28.9498 178.5950 129 G 3.5021 8.2162 106.9762 47.4837 0.0000 175.5470 130 A 3.8558 7.9720 123.1801 55.1665 18.4210 179.4286 131 M 3.9964 8.1296 116.7046 58.7898 32.3565 177.9529 132 N 4.3410 8.6087 117.7408 56.3828 39.1055 176.7104 133 K 3.8188 8.4150 121.3557 59.5160 32.2786 178.6588 134 A 3.8348 7.9589 120.9520 55.0100 18.1667 179.5709 135 L 4.1667 7.9545 117.4958 57.6656 41.7089 179.3815 136 E 3.9727 8.3294 118.7170 59.1871 29.4179 178.9961 137 L 3.9238 7.9538 120.3474 58.1083 42.0852 178.5514 138 F 4.1747 8.2414 120.4623 61.7330 39.2183 177.3499 139 R 3.4160 8.3392 117.7753 58.9150 29.8102 179.0843 140 K 3.8614 8.2609 119.7366 59.3933 32.2156 178.7247 141 D 4.3112 8.0753 119.2207 57.4030 40.7763 178.8018 142 I 3.4021 7.6890 120.4122 64.1079 37.0914 178.3026 143 A 3.6901 7.9400 121.7284 55.0852 18.2344 179.6107 144 A 3.9850 7.9986 119.1530 54.9487 18.2695 180.1159 145 K 3.9712 8.0129 117.3217 59.8076 32.0643 178.8633 146 Y 4.5104 8.4974 117.4044 61.4171 37.7223 179.2485 147 K 4.0970 8.0910 118.6986 59.6031 31.9863 179.3409 148 E 4.0582 7.9560 117.0863 58.7861 29.4338 178.4553 149 L 4.5224 7.3904 116.5000 54.2074 42.1842 177.1857 150 G 4.2111 7.8750 107.7125 45.2281 0.0000 172.8646 151 Y 4.6876 8.2530 120.1400 57.1399 43.1895 175.1754 152 Q 2.5200 8.6648 119.6582 54.5282 31.9251 175.5313 153 G 4.0094 9.1563 108.4084 45.5820 0.0000 173.2206 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 4.46 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.52 0.00 1 V 7.91 4.27 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 0.89 0.00 0.00 0.95 0.00 0.00 2 L 8.29 4.40 0.00 1.05 0.52 0.53 -0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.22 4.53 0.00 4.03 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 4 E 8.82 4.30 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 2.51 0.00 5 G 8.09 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 6 E 7.79 3.91 0.00 2.02 1.71 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 2.21 2.26 0.00 7 W 7.94 4.50 0.00 3.54 3.17 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 8 Q 8.33 4.18 0.00 2.37 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 2.74 2.60 0.00 9 L 7.84 4.09 0.00 1.83 1.75 0.90 0.79 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 7.96 3.76 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 1.17 0.00 0.00 0.92 0.00 0.00 11 L 8.63 4.32 0.00 1.81 1.80 0.96 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.47 4.27 0.00 3.44 3.54 0.00 5.78 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 13 V 7.76 3.52 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 0.96 0.00 0.00 1.33 0.00 0.00 14 W 8.39 4.06 0.00 3.64 3.12 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 15 A 7.89 3.98 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 7.42 3.93 0.00 1.48 1.69 0.00 1.66 0.00 0.00 1.50 0.00 0.00 2.75 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.46 7.81 17 V 7.18 2.90 1.12 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 -0.03 0.00 0.00 0.44 0.00 0.00 18 E 7.57 3.85 0.00 1.97 1.90 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 2.22 2.03 0.00 19 A 7.63 4.25 1.28 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 20 D 8.01 4.58 0.00 2.67 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 8.02 3.45 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 0.96 0.00 0.00 0.83 0.00 0.00 22 A 7.96 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 8.13 3.70 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 0.00 24 H 8.12 4.17 0.00 3.13 3.22 0.00 5.84 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 8.12 3.67 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 0.00 0.00 0.00 26 Q 8.22 3.84 0.00 2.20 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.67 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 27 D 7.95 4.34 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 28 I 7.62 3.70 1.91 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.88 0.89 0.00 0.00 29 L 7.60 3.52 0.00 1.42 1.01 0.83 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.58 3.69 1.89 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 1.40 0.52 0.87 0.00 0.00 31 R 7.92 3.78 0.00 2.02 2.03 0.00 3.12 0.00 0.00 2.98 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.75 0.00 32 L 7.70 3.91 0.00 1.78 1.44 1.06 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 33 F 7.81 4.49 0.00 2.98 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 34 K 8.03 3.96 0.00 1.74 1.84 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.60 7.81 35 S 7.86 4.25 0.00 4.07 3.71 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 36 H 8.42 4.69 0.00 2.99 2.78 0.00 5.63 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 37 P 0.00 4.60 0.00 2.15 2.11 0.00 3.83 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 2.09 2.23 0.00 38 E 8.49 4.52 0.00 2.29 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 2.29 2.36 0.00 39 T 8.27 3.76 4.40 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 0.90 0.00 0.00 40 L 8.01 3.78 0.00 1.50 1.73 -0.18 0.75 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 41 E 8.08 4.11 0.00 2.41 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 2.37 2.39 0.00 42 K 8.08 4.38 0.00 2.03 1.75 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.12 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.73 1.97 7.81 43 F 8.03 4.49 0.00 3.23 2.74 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 44 D 8.36 4.49 0.00 2.58 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 45 R 7.68 3.94 0.00 1.37 0.66 0.00 3.07 0.00 0.00 2.97 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.55 0.00 46 F 7.76 5.03 0.00 2.86 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 47 K 8.21 4.07 0.00 1.84 1.89 0.00 1.79 0.00 0.00 1.86 0.00 0.00 3.20 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.50 7.81 48 H 8.09 4.46 0.00 3.33 3.42 0.00 5.58 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 7.82 4.18 0.00 1.46 1.56 0.80 0.74 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 50 K 9.43 4.36 0.00 1.80 1.83 0.00 1.65 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.50 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 8.68 3.91 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 2.36 0.00 53 A 7.96 3.88 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 7.61 3.93 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 2.35 2.34 0.00 55 M 8.02 4.12 0.00 2.05 2.29 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.57 0.00 56 K 8.61 3.87 0.00 1.86 1.87 0.00 1.65 0.00 0.00 1.68 0.00 0.00 3.22 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.44 7.81 57 A 7.27 4.61 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 58 S 7.44 4.26 0.00 3.95 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 59 E 8.81 4.07 0.00 2.14 1.95 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 2.39 2.47 0.00 60 D 8.08 4.47 0.00 3.03 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 7.88 3.41 0.00 1.22 1.61 0.69 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.68 3.89 0.00 1.97 1.78 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.44 1.47 7.81 63 K 8.03 4.01 0.00 2.14 1.91 0.00 1.77 0.00 0.00 1.61 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.90 7.81 64 H 8.60 4.44 0.00 3.62 3.63 0.00 5.78 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 8.34 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 7.62 3.64 2.23 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 1.13 0.00 0.00 0.96 0.00 0.00 67 T 7.87 3.89 4.42 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 0.00 0.00 0.00 1.27 0.00 0.00 68 V 7.83 3.61 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 1.10 0.00 0.00 1.01 0.00 0.00 69 L 7.95 4.27 0.00 1.89 1.79 0.86 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.39 3.96 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 71 A 8.02 4.03 1.36 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 72 L 8.22 3.76 0.00 1.63 1.66 0.27 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.59 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 7.57 4.02 1.36 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 75 I 7.48 3.79 1.81 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.03 0.84 0.00 0.00 76 L 7.55 4.01 0.00 1.29 1.54 -0.12 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.60 4.01 0.00 1.68 1.80 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.10 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.46 1.60 7.81 78 K 7.70 3.98 0.00 1.86 1.81 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.64 1.60 7.81 79 K 8.17 2.00 0.00 1.31 0.91 0.00 1.44 0.00 0.00 1.40 0.00 0.00 2.72 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.30 0.56 7.81 80 G 8.04 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 81 H 7.67 4.82 0.00 3.07 3.22 0.00 5.75 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.41 5.09 0.00 3.28 3.45 0.00 5.52 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 8.63 3.95 0.00 2.09 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 0.00 2.43 2.51 0.00 84 A 7.90 4.14 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 85 E 8.15 4.08 0.00 2.25 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 2.40 2.44 0.00 86 L 8.22 4.07 0.00 2.01 1.69 0.96 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.81 4.01 0.00 1.90 1.87 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.66 7.81 88 P 0.00 4.40 0.00 2.30 2.34 0.00 3.85 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 2.11 2.05 0.00 89 L 7.47 4.01 0.00 1.86 1.95 1.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.27 4.25 1.48 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 91 Q 8.27 3.97 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 92 S 8.32 4.21 0.00 4.11 4.15 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 93 H 8.25 4.70 0.00 3.60 3.59 0.00 5.75 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 7.46 3.86 1.10 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 0.00 0.00 95 T 7.77 4.19 4.15 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 1.24 0.00 0.00 96 K 8.26 3.97 0.00 1.68 1.95 0.00 1.60 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.38 1.45 7.81 97 V 7.19 4.47 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 0.60 0.00 0.00 0.79 0.00 0.00 98 K 8.40 4.01 0.00 1.31 1.05 0.00 1.35 0.00 0.00 0.61 0.00 0.00 2.60 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.70 1.06 7.81 99 I 8.31 4.44 2.11 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 1.30 1.01 1.16 0.00 0.00 100 P 0.00 4.71 0.00 1.99 2.03 0.00 3.25 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 0.97 1.32 0.00 101 I 9.98 3.67 1.80 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 1.83 1.06 0.87 0.00 0.00 102 K 8.00 3.57 0.00 1.72 1.66 0.00 1.38 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 0.97 7.81 103 Y 7.86 4.20 0.00 3.27 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 0.00 104 L 7.87 4.20 0.00 1.84 1.78 0.69 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.22 4.01 0.00 2.06 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 2.33 2.31 0.00 106 F 7.95 4.51 0.00 3.18 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 0.00 107 I 8.16 3.94 2.02 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 1.60 1.40 1.14 0.00 0.00 108 S 8.41 4.22 0.00 4.22 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 0.00 109 E 8.42 4.03 0.00 2.18 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 0.00 2.39 2.42 0.00 110 A 8.10 4.10 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 0.00 111 I 7.91 3.71 2.10 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 1.64 0.67 1.05 0.00 0.00 112 I 7.86 3.85 2.13 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 1.67 0.93 1.13 0.00 0.00 113 H 8.32 4.07 0.00 3.40 3.50 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.01 3.58 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 0.91 0.00 0.00 1.00 0.00 0.00 115 L 8.02 3.83 0.00 0.38 0.62 0.81 1.04 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 0.00 116 H 7.83 4.34 0.00 3.50 3.61 0.00 5.95 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 0.00 117 S 7.84 4.19 0.00 3.93 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 0.00 118 R 7.75 4.24 0.00 1.45 1.59 0.00 2.84 0.00 0.00 2.94 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.49 0.00 119 H 8.25 5.05 0.00 3.18 3.19 0.00 5.63 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 4.29 0.00 2.21 2.26 0.00 3.67 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.94 0.00 121 G 8.09 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 0.00 122 N 8.29 5.04 0.00 2.76 2.91 0.00 0.00 6.63 6.97 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 0.00 123 F 7.85 4.93 0.00 2.97 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 3.86 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 0.00 0.00 0.00 125 A 8.43 3.89 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 7.98 4.18 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 7.79 3.95 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 8.08 3.32 0.00 1.26 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.24 2.24 0.00 129 G 8.22 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 0.00 130 A 7.97 3.86 1.28 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 0.00 131 M 8.13 4.00 0.00 2.37 2.35 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.88 0.00 132 N 8.61 4.34 0.00 2.89 2.93 0.00 0.00 6.85 6.11 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 0.00 133 K 8.42 3.82 0.00 1.97 1.61 0.00 1.72 0.00 0.00 1.48 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.37 7.81 134 A 7.96 3.83 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 7.95 4.17 0.00 1.79 1.82 0.99 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 0.00 136 E 8.33 3.97 0.00 2.15 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 2.33 2.49 0.00 137 L 7.95 3.92 0.00 1.85 1.91 1.02 0.98 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 0.00 138 F 8.24 4.17 0.00 3.09 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 8.34 3.42 0.00 1.94 1.82 0.00 3.13 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.80 0.00 140 K 8.26 3.86 0.00 1.75 1.88 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.39 1.43 7.81 141 D 8.08 4.31 0.00 3.01 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 7.69 3.40 1.23 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 -0.06 0.05 0.00 0.00 143 A 7.94 3.69 1.28 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 0.00 144 A 8.00 3.98 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 0.00 145 K 8.01 3.97 0.00 2.01 1.91 0.00 1.59 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.54 7.81 146 Y 8.50 4.51 0.00 3.09 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 0.00 147 K 8.09 4.10 0.00 2.08 1.86 0.00 1.51 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.72 7.81 148 E 7.96 4.06 0.00 2.16 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 2.36 2.48 0.00 149 L 7.39 4.52 0.00 1.78 1.74 1.02 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 150 G 7.88 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 0.00 0.00 0.00 151 Y 8.25 4.69 0.00 2.62 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 0.00 152 Q 8.66 2.52 0.00 1.94 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.35 0.00 0.00 0.00 0.00 0.00 1.16 1.83 0.00 153 G 9.16 4.01 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 0.00 0.00 0.00