NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4704 8.3044 118.1955 55.2027 32.5743 174.2584 1 V 4.2762 7.8851 118.3246 60.8277 34.5388 173.2293 2 L 4.4390 8.2942 127.0578 53.7012 43.9222 176.6734 3 S 4.5855 8.7063 117.3795 57.4957 65.5964 175.1071 4 E 4.2817 8.7879 122.2297 59.4729 29.2011 178.8958 5 G 3.6702 8.1161 105.3401 47.8611 0.0000 175.4049 6 E 3.9258 7.9204 120.8667 58.9701 29.4092 179.4308 7 W 4.3051 8.0516 119.0378 59.8698 29.0860 178.6224 8 Q 4.1680 8.4959 118.1915 58.8934 27.9904 178.7618 9 L 4.0758 7.8502 120.0255 57.6562 41.6654 179.7193 10 V 3.7446 7.8660 118.1654 66.2507 31.6541 178.2045 11 L 4.3199 8.6039 118.7722 57.5067 41.1164 179.0793 12 H 4.2303 8.4645 119.1060 59.2989 29.8946 177.7013 13 V 3.6426 7.8147 121.1124 64.3553 31.3530 178.1248 14 W 3.9271 8.5186 128.9325 60.1182 30.2770 177.8058 15 A 4.0089 7.8875 120.0638 54.7778 18.1171 179.5222 16 K 3.9521 7.2940 117.2550 59.4466 32.1593 179.5778 17 V 2.8513 7.1583 118.4652 65.8032 31.0577 177.6994 18 E 3.9030 7.5736 115.9363 58.1732 29.2973 178.5329 19 A 4.2132 7.4226 120.1819 53.6571 20.0312 177.6044 20 D 4.6522 7.8712 116.7437 51.9086 42.5199 175.4544 21 V 3.4392 7.9663 123.2991 65.6671 32.0981 176.7664 22 A 4.0582 7.9985 120.1004 55.1108 18.2549 179.7043 23 G 3.7881 8.1005 105.3084 47.8009 0.0000 175.7769 24 H 4.2182 8.2797 118.8151 58.2751 28.6996 178.0820 25 G 3.6218 8.3810 107.9909 47.8495 0.0000 175.7363 26 Q 3.8648 8.0802 120.4967 58.7958 28.8201 178.3923 27 D 4.3096 7.8839 119.7756 57.5763 40.8005 179.2800 28 I 3.6547 7.8135 119.9354 64.4396 37.0735 178.5868 29 L 3.4653 7.6431 119.7026 57.5760 41.3381 179.6887 30 I 3.6977 7.7849 119.9724 64.1856 36.9925 178.4066 31 R 3.7802 7.8904 119.5578 59.2128 29.8660 178.2076 32 L 3.8778 7.7957 120.1297 58.4204 41.7399 179.1248 33 F 4.6613 7.9135 117.7317 60.4305 38.5470 177.9002 34 K 4.0667 8.0955 117.7326 59.3322 31.9794 179.2517 35 S 4.2875 8.0024 114.7351 60.3050 64.2554 174.5012 36 H 4.7935 8.3600 118.7392 51.8202 29.4384 171.7200 37 P 4.4870 0.0000 0.0000 64.6240 31.3032 177.4965 38 E 4.0931 8.2654 116.2459 59.5846 29.3983 179.1679 39 T 3.8161 8.1649 110.7641 64.3736 68.7591 176.2666 40 L 3.6014 7.8988 123.0289 57.8017 41.7488 178.6445 41 E 4.0599 7.8587 117.7029 59.0034 29.3857 179.0084 42 K 4.2786 7.9260 117.3154 57.5756 33.2354 177.4201 43 F 4.3271 7.8712 119.2537 55.2792 37.5153 175.6814 44 D 4.3482 8.2976 125.1456 57.1375 41.1238 178.4305 45 R 4.1274 7.9172 118.3585 58.7709 30.4785 176.7332 46 F 5.1540 7.4788 111.7852 56.2220 38.4866 176.5114 47 K 3.9368 8.3132 124.3800 59.9986 32.0688 176.9918 48 H 4.5251 8.2084 112.2158 56.4047 29.1661 175.5322 49 L 4.0630 7.3585 121.2264 55.2444 41.7578 176.9681 50 K 4.3089 9.3435 123.4034 57.3732 33.4276 176.8727 51 T 4.7392 7.4608 107.5286 58.9442 73.2038 174.2782 52 E 3.9423 8.6047 120.5725 59.1404 29.4638 178.4329 53 A 3.9669 7.9105 120.5328 55.2291 18.3020 179.3105 54 E 3.9128 7.8365 115.5612 59.7301 29.9169 179.1760 55 M 4.1219 8.0929 118.7385 58.4037 31.8196 179.0195 56 K 3.9599 8.2308 117.5900 58.9871 32.2708 178.5671 57 A 4.3405 7.5326 119.0423 52.0392 19.2591 177.2437 58 S 4.1713 7.3063 113.5386 57.6273 63.0004 174.5753 59 E 3.9816 8.7780 128.7565 59.2654 29.5467 178.3099 60 D 4.4092 7.9520 118.7663 57.1459 40.9800 178.2941 61 L 3.0588 7.3612 120.4150 57.5194 41.9980 178.8060 62 K 3.8327 7.7148 119.2143 59.5553 32.1295 178.9177 63 K 4.0159 8.1882 118.4570 59.3699 31.9368 179.2391 64 A 4.2831 8.0521 121.1957 55.0478 18.3324 179.9640 65 G 3.5372 8.2588 104.4030 47.9463 0.0000 176.1738 66 V 3.6674 7.9127 120.7627 65.9648 31.4971 178.3246 67 T 3.9210 8.0643 115.6259 66.4937 68.2513 176.8393 68 V 3.6502 8.0002 120.1107 66.1984 31.6004 178.1750 69 L 4.2601 8.1306 118.6955 58.0991 41.5686 179.6745 70 T 3.9926 8.3166 115.7303 66.5420 68.2959 176.6817 71 A 4.0145 8.0875 122.7745 55.0906 18.3607 179.4933 72 L 3.7401 8.2486 119.2121 58.0303 42.1061 179.3885 73 G 3.3531 8.6587 106.0239 47.6581 0.0000 175.5629 74 A 4.0266 7.6861 121.8215 54.7940 18.6219 179.6429 75 I 3.7778 7.4311 118.1155 64.5786 37.2635 178.6222 76 L 3.9681 7.8038 120.0556 57.6835 41.1822 179.5735 77 K 4.0165 7.6771 116.7557 58.3140 32.2756 178.7312 78 K 3.9587 7.8192 118.4529 56.0618 32.5016 176.6409 79 K 2.0000 8.2509 118.1022 56.4517 29.8084 175.7575 80 G 3.9478 7.9727 106.2859 45.6894 0.0000 174.1317 81 H 4.5731 7.3286 119.1193 55.0852 27.4163 174.7288 82 H 5.5245 7.5740 111.5380 54.3058 29.5385 176.4253 83 E 3.9946 8.5926 121.0303 60.3542 28.7524 178.7879 84 A 4.0178 7.9175 119.9545 54.9047 18.8657 179.0695 85 E 4.0810 8.1575 116.5651 59.2842 29.4983 179.1113 86 L 4.0331 8.1444 120.5743 57.6105 42.0869 178.7903 87 K 3.9369 7.8281 118.9118 59.1881 32.0763 177.4247 88 P 4.2977 0.0000 0.0000 65.6694 31.2673 178.1689 89 L 4.0062 7.5037 117.5305 57.9772 42.0717 178.8333 90 A 4.2085 8.4230 121.1655 55.0984 18.3026 179.3789 91 Q 3.8677 8.2958 118.3669 59.3976 29.1180 178.7248 92 S 3.9907 8.2142 115.3205 61.8583 63.0908 176.1190 93 H 4.1020 8.5526 119.4655 57.7354 28.5270 177.6238 94 A 2.6677 7.7650 122.7512 54.4871 18.3614 179.4624 95 T 3.8662 7.3832 112.3945 65.4282 69.0192 176.3709 96 K 4.0281 7.4391 120.0472 59.0777 32.7473 177.4330 97 H 4.2294 7.9094 115.0029 56.3749 29.4301 175.6868 98 K 3.3810 7.3806 116.5101 56.0519 28.6697 175.4593 99 I 4.2590 8.1447 118.8439 58.7331 38.3782 175.0309 100 P 4.6900 0.0000 0.0000 62.2344 32.1849 177.3559 101 I 3.6154 8.5398 120.6427 64.5256 36.8487 178.2760 102 K 3.5869 7.9677 119.9126 59.9702 31.8754 178.2058 103 Y 4.2099 7.8647 116.4246 60.7361 37.8462 178.1658 104 L 4.2546 7.9854 120.2247 57.4799 41.7491 179.2329 105 E 4.0648 7.9142 118.4497 59.2961 29.6254 179.0224 106 F 4.5389 7.9358 117.9193 60.8382 39.0060 177.6061 107 I 3.9125 8.1552 118.0694 63.9080 37.7471 178.1054 108 S 4.2444 8.0576 116.0344 61.4948 62.6490 176.1687 109 E 4.0569 8.4178 121.8387 59.1279 29.4096 178.7213 110 A 4.0620 8.0052 120.6807 55.0083 18.4072 179.7530 111 I 3.7173 8.0347 118.4684 64.6743 37.2471 178.7151 112 I 3.8641 7.8620 120.7052 64.5696 36.9374 178.0245 113 H 4.1581 8.4214 119.1241 59.2713 29.6545 177.5852 114 V 3.5648 7.8948 120.0283 65.9913 31.3064 177.9722 115 L 3.7758 7.8116 118.7574 57.8988 41.0424 178.9958 116 H 4.3156 7.8368 117.2756 59.3254 29.8723 177.3409 117 S 4.1664 7.7759 116.0124 61.6284 62.8430 176.4438 118 R 4.0777 7.9476 118.9673 57.4173 31.3135 176.4160 119 H 5.0081 8.2176 115.7394 53.6309 29.1024 172.7872 120 P 4.3097 0.0000 0.0000 65.8528 31.6366 179.3652 121 G 3.7102 8.1291 106.5579 47.4297 0.0000 173.6907 122 N 4.9554 8.1659 114.9298 52.9938 39.6577 174.5985 123 F 4.9634 7.8071 118.1468 56.5848 39.5114 174.2517 124 G 3.9231 7.5765 109.3127 43.8422 0.0000 171.7905 125 A 3.8885 8.4255 120.5954 55.4668 18.2668 179.7160 126 D 4.2195 7.9535 116.5538 57.3573 40.9784 178.7190 127 A 3.9254 7.7193 120.8865 55.0964 18.3842 179.3331 128 Q 3.1671 7.8033 118.4269 58.7488 29.0067 178.6436 129 G 3.4822 7.9826 106.7406 47.6282 0.0000 175.6243 130 A 3.8717 7.9073 123.3088 54.9418 18.3399 179.4435 131 M 4.0007 8.1293 116.7920 58.7351 32.2894 177.8852 132 N 4.3046 8.4992 117.6517 56.6428 39.0900 176.6801 133 K 3.8332 8.0969 120.7277 59.4493 32.2675 178.6610 134 A 3.8520 7.9219 121.0466 55.0914 18.1837 179.6474 135 L 4.1611 8.2095 117.6045 57.8016 41.6198 179.5325 136 E 3.9838 8.5738 119.1443 59.1215 29.3850 179.0609 137 L 3.9509 8.1703 120.5766 57.9983 42.1986 178.7139 138 F 4.2014 8.3727 120.5594 61.6017 39.3155 177.3620 139 R 3.4733 8.2604 117.8262 58.7847 29.8357 179.0481 140 K 3.8331 8.2020 119.6890 59.6824 32.3830 178.7504 141 D 4.3573 8.0903 119.1393 57.2489 40.6111 178.8764 142 I 3.4952 7.5413 120.2727 64.0582 37.0297 178.2598 143 A 3.8229 8.1103 122.8690 54.4369 18.2019 179.5320 144 A 3.9552 7.8579 119.1405 55.2636 18.4434 180.0925 145 K 4.0222 7.9924 116.6399 59.5801 32.1072 179.0307 146 Y 4.3568 8.3549 117.4200 61.2192 37.9528 178.7441 147 K 3.9477 8.1202 120.1233 59.7941 32.0894 178.6752 148 E 4.0586 7.9345 116.9648 58.9943 29.4476 178.5249 149 L 4.3731 7.8233 116.9015 55.0407 41.9721 177.6037 150 G 3.9243 8.0395 107.2500 45.5749 0.0000 172.7170 151 Y 4.3786 7.7482 117.3712 56.1702 41.2612 175.7625 152 Q 3.7220 8.2503 115.7119 56.5866 28.2898 174.3178 153 G 3.0297 5.8717 109.2728 45.1464 0.0000 174.0557 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 2.13 2.13 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 2.47 2.54 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 0.89 0.00 0.00 0.96 0.00 0.00 2 L 8.29 4.44 0.00 1.04 0.77 0.61 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.71 4.59 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 8.79 4.28 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 8.12 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 6 E 7.92 3.93 0.00 1.89 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 2.20 2.25 0.00 7 W 8.05 4.31 0.00 3.61 3.21 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 8 Q 8.50 4.17 0.00 2.31 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.70 2.60 0.00 9 L 7.85 4.08 0.00 1.82 1.74 0.88 1.19 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 10 V 7.87 3.74 2.44 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 1.19 0.00 0.00 0.91 0.00 0.00 11 L 8.60 4.32 0.00 1.84 1.82 0.96 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.46 4.23 0.00 3.45 3.57 0.00 5.78 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.81 3.64 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 1.06 0.00 0.00 0.89 0.00 0.00 14 W 8.52 3.93 0.00 3.69 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 15 A 7.89 4.01 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.29 3.95 0.00 1.47 1.68 0.00 1.65 0.00 0.00 1.49 0.00 0.00 2.71 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.48 1.47 7.81 17 V 7.16 2.85 0.99 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 -0.05 0.00 0.00 0.42 0.00 0.00 18 E 7.57 3.90 0.00 1.98 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 2.23 2.03 0.00 19 A 7.42 4.21 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 20 D 7.87 4.65 0.00 2.71 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.97 3.44 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 1.07 0.00 0.00 0.85 0.00 0.00 22 A 8.00 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 8.10 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 24 H 8.28 4.22 0.00 3.12 3.24 0.00 5.83 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 8.38 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 26 Q 8.08 3.86 0.00 2.21 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.69 0.00 0.00 0.00 0.00 0.00 2.29 2.47 0.00 27 D 7.88 4.31 0.00 2.77 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 7.81 3.65 1.90 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 1.52 0.64 0.90 0.00 0.00 29 L 7.64 3.47 0.00 1.48 1.17 0.90 0.61 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 30 I 7.78 3.70 1.87 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.73 0.90 0.00 0.00 31 R 7.89 3.78 0.00 1.92 2.12 0.00 2.98 0.00 0.00 2.97 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 32 L 7.80 3.88 0.00 1.71 1.37 1.05 1.03 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 33 F 7.91 4.66 0.00 3.09 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 8.10 4.07 0.00 1.70 1.84 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.72 7.81 35 S 8.00 4.29 0.00 3.68 3.57 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 0.00 36 H 8.36 4.79 0.00 2.89 2.96 0.00 5.64 0.00 0.00 0.00 0.00 6.87 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 4.49 0.00 2.16 2.13 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 2.17 0.00 38 E 8.27 4.09 0.00 2.30 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 2.53 0.00 39 T 8.16 3.82 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 0.79 0.00 0.00 40 L 7.90 3.60 0.00 1.33 1.73 0.27 0.60 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 7.86 4.06 0.00 2.14 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 2.38 0.00 42 K 7.93 4.28 0.00 1.71 1.65 0.00 1.85 0.00 0.00 1.73 0.00 0.00 3.19 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.69 1.88 7.81 43 F 7.87 4.33 0.00 2.40 1.79 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 8.30 4.35 0.00 2.61 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 R 7.92 4.13 0.00 1.77 2.13 0.00 3.38 0.00 0.00 3.38 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 46 F 7.48 5.15 0.00 3.17 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 47 K 8.31 3.94 0.00 1.82 1.87 0.00 1.76 0.00 0.00 1.93 0.00 0.00 2.85 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.42 1.41 7.81 48 H 8.21 4.53 0.00 3.33 3.41 0.00 5.59 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 49 L 7.36 4.06 0.00 1.62 1.60 0.82 0.61 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 50 K 9.34 4.31 0.00 1.77 1.84 0.00 1.65 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.53 7.81 51 T 7.46 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 8.60 3.94 0.00 2.05 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 2.36 2.36 0.00 53 A 7.91 3.97 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 7.84 3.91 0.00 2.13 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 2.33 2.33 0.00 55 M 8.09 4.12 0.00 2.07 2.24 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.58 0.00 56 K 8.23 3.96 0.00 1.83 1.84 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.43 1.59 7.81 57 A 7.53 4.34 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 7.31 4.17 0.00 3.89 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 8.78 3.98 0.00 2.11 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 2.37 2.45 0.00 60 D 7.95 4.41 0.00 2.79 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 7.36 3.06 0.00 0.74 1.39 0.79 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.71 3.83 0.00 1.83 1.89 0.00 1.66 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.44 7.81 63 K 8.19 4.02 0.00 2.04 1.89 0.00 1.75 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.79 7.81 64 A 8.05 4.28 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.26 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 66 V 7.91 3.67 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 1.12 0.00 0.00 0.96 0.00 0.00 67 T 8.06 3.92 4.53 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 1.31 0.00 0.00 68 V 8.00 3.65 2.31 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 1.20 0.00 0.00 1.16 0.00 0.00 69 L 8.13 4.26 0.00 1.81 1.84 0.91 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.32 3.99 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 4.01 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 72 L 8.25 3.74 0.00 1.68 1.69 0.25 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.66 3.35 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 0.00 74 A 7.69 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 75 I 7.43 3.78 1.82 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 1.52 0.58 0.87 0.00 0.00 76 L 7.80 3.97 0.00 1.17 1.54 -0.14 1.08 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 7.68 4.02 0.00 1.66 1.80 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.15 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.47 1.51 7.81 78 K 7.82 3.96 0.00 1.81 1.81 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.65 1.77 7.81 79 K 8.25 2.00 0.00 1.28 0.74 0.00 1.48 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 0.36 0.71 7.81 80 G 7.97 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 81 H 7.33 4.57 0.00 3.17 3.22 0.00 5.80 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.57 5.52 0.00 3.29 3.45 0.00 5.66 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.59 3.99 0.00 2.21 2.31 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 2.39 2.36 0.00 84 A 7.92 4.02 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 8.16 4.08 0.00 2.24 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 2.43 0.00 86 L 8.14 4.03 0.00 2.04 1.68 0.99 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.83 3.94 0.00 1.85 1.87 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.73 7.81 88 P 0.00 4.30 0.00 2.29 2.33 0.00 3.92 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 2.23 2.05 0.00 89 L 7.50 4.01 0.00 1.92 1.96 0.94 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.42 4.21 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 8.30 3.87 0.00 2.14 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 92 S 8.21 3.99 0.00 3.97 4.10 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 93 H 8.55 4.10 0.00 3.56 3.57 0.00 5.80 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 7.77 2.67 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.38 3.87 4.18 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 1.11 0.00 0.00 96 K 7.44 4.03 0.00 1.53 1.58 0.00 1.58 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.24 1.34 7.81 97 H 7.91 4.23 0.00 2.99 3.13 0.00 5.86 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.38 3.38 0.00 1.77 1.76 0.00 1.71 0.00 0.00 2.28 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.28 1.27 7.81 99 I 8.14 4.26 2.06 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 1.50 0.93 1.12 0.00 0.00 100 P 0.00 4.69 0.00 1.98 2.06 0.00 3.17 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 1.29 0.00 101 I 8.54 3.62 1.80 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.88 0.80 0.00 0.00 102 K 7.97 3.59 0.00 1.70 1.61 0.00 1.31 0.00 0.00 1.73 0.00 0.00 3.18 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.45 0.84 7.81 103 Y 7.86 4.21 0.00 3.22 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 0.00 104 L 7.99 4.25 0.00 1.82 1.77 0.69 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 105 E 7.91 4.06 0.00 2.08 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 2.40 2.47 0.00 106 F 7.94 4.54 0.00 3.25 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 0.00 107 I 8.16 3.91 2.02 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 1.60 1.39 1.10 0.00 0.00 108 S 8.06 4.24 0.00 4.24 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 4.06 0.00 2.19 2.25 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 2.37 2.40 0.00 110 A 8.01 4.06 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 I 8.03 3.72 2.12 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.97 1.05 0.00 0.00 112 I 7.86 3.86 2.01 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 1.70 1.09 1.15 0.00 0.00 113 H 8.42 4.16 0.00 3.36 3.46 0.00 5.78 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 0.00 114 V 7.89 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 0.99 0.00 0.00 115 L 7.81 3.78 0.00 0.52 0.54 0.82 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 116 H 7.84 4.32 0.00 3.46 3.60 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 7.78 4.17 0.00 3.92 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 0.00 118 R 7.95 4.08 0.00 1.49 1.62 0.00 3.11 0.00 0.00 2.96 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.51 0.00 119 H 8.22 5.01 0.00 3.19 3.21 0.00 5.63 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 0.00 120 P 0.00 4.31 0.00 2.20 2.26 0.00 3.73 0.00 0.00 3.86 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 8.13 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 0.00 0.00 0.00 122 N 8.17 4.96 0.00 2.83 2.97 0.00 0.00 6.68 7.48 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 0.00 123 F 7.81 4.96 0.00 3.03 3.04 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 0.00 0.00 0.00 124 G 7.58 3.92 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 0.00 0.00 0.00 125 A 8.43 3.89 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 0.00 126 D 7.95 4.22 0.00 2.65 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 0.00 127 A 7.72 3.93 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 0.00 128 Q 7.80 3.17 0.00 1.18 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 129 G 7.98 3.48 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 0.00 130 A 7.91 3.87 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 8.13 4.00 0.00 2.39 2.37 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.93 0.00 132 N 8.50 4.30 0.00 2.91 2.93 0.00 0.00 6.88 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 0.00 133 K 8.10 3.83 0.00 1.94 1.75 0.00 1.58 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.29 1.37 7.81 134 A 7.92 3.85 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 L 8.21 4.16 0.00 1.90 1.84 1.02 0.74 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 0.00 136 E 8.57 3.98 0.00 2.16 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 2.34 2.61 0.00 137 L 8.17 3.95 0.00 1.87 1.97 1.08 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.37 4.20 0.00 3.13 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 0.00 139 R 8.26 3.47 0.00 1.95 1.83 0.00 3.15 0.00 0.00 3.31 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.97 0.00 140 K 8.20 3.83 0.00 1.87 1.92 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.40 1.44 7.81 141 D 8.09 4.36 0.00 2.71 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 7.54 3.50 1.27 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 -0.16 0.16 0.00 0.00 143 A 8.11 3.82 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 0.00 144 A 7.86 3.96 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.99 4.02 0.00 2.10 1.95 0.00 1.59 0.00 0.00 1.79 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.55 7.81 146 Y 8.35 4.36 0.00 3.31 3.21 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 0.00 147 K 8.12 3.95 0.00 1.88 2.02 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.49 7.81 148 E 7.93 4.06 0.00 2.18 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 2.36 2.55 0.00 149 L 7.82 4.37 0.00 1.80 1.69 0.95 0.87 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 0.00 150 G 8.04 3.92 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 0.00 0.00 0.00 151 Y 7.75 4.38 0.00 2.77 2.56 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 0.00 0.00 0.00 0.00 152 Q 8.25 3.72 0.00 2.20 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.86 0.00 0.00 0.00 0.00 0.00 2.61 2.28 0.00 153 G 5.87 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00