NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4659 8.3049 120.3276 55.1574 33.1274 172.8805 2 L 4.2670 7.7839 120.3841 53.3119 44.7534 175.2636 3 K 4.3209 8.7885 120.9567 55.7756 36.0965 174.8493 4 Q 3.6436 8.7889 124.4382 55.9181 28.4256 173.8688 5 V 3.6779 8.5200 124.4741 62.6140 33.7903 170.7218 6 E 4.6784 9.0809 125.0725 54.5004 33.2853 174.9038 7 I 4.9687 8.1179 123.3467 59.4768 41.3195 174.2394 8 F 5.4945 9.1501 125.4430 55.9236 41.7520 174.5921 9 T 5.3244 8.5925 112.8241 60.4784 72.3449 172.6781 10 D 4.6446 8.9051 118.8696 53.5880 45.1541 174.6051 11 G 4.7036 8.8002 111.5343 44.9296 0.0000 171.8711 12 S 5.0027 8.8318 113.7323 57.8459 66.3308 172.7452 13 C 5.1645 8.3775 124.6118 58.1019 34.1835 173.8035 14 L 4.3760 9.1948 124.9958 55.9385 42.2763 177.2939 15 G 3.9135 7.3271 107.2573 45.6712 0.0000 173.0865 16 N 4.9153 8.2135 110.1763 52.7010 39.9265 173.3977 17 P 4.6018 0.0000 0.0000 61.5928 33.9707 175.4178 18 G 3.9824 8.4223 106.0213 45.2620 0.0000 170.7323 19 P 4.8891 0.0000 0.0000 62.5912 32.4615 176.3444 20 G 4.4339 9.2986 110.2241 45.7091 0.0000 170.9749 21 G 4.6618 9.2427 106.5663 45.6228 0.0000 171.6834 22 Y 5.5222 8.2323 117.0859 55.1370 42.0048 174.6667 23 G 4.5699 9.7953 107.0397 44.8511 0.0000 171.4271 24 A 5.5377 8.9973 123.2519 50.7312 23.4889 175.2345 25 I 5.1271 9.4034 122.1289 59.4018 41.1777 174.2530 26 L 5.2010 9.6152 129.4558 53.3623 44.4890 174.8037 27 R 5.2432 9.3883 127.1975 54.7708 33.3946 173.9626 28 Y 4.8237 9.1418 127.2899 56.4815 41.8302 174.7408 29 R 3.6288 9.2350 127.2937 57.0544 27.5754 175.1539 30 G 4.3359 8.0426 110.0172 45.6955 0.0000 173.3533 31 R 4.0288 7.2994 118.1992 56.4308 30.6544 175.2009 32 E 5.1571 8.4842 121.2123 54.6956 32.7932 174.2427 33 K 4.6257 9.7946 126.9127 54.8351 35.4245 175.0793 34 T 5.0164 8.1152 119.7379 61.7558 71.2554 173.5577 35 F 5.0664 9.1152 123.9086 55.9971 42.8300 174.1217 36 S 4.8393 8.9896 113.1123 58.5510 65.0240 174.1954 37 A 4.3698 7.1003 125.5879 50.8405 22.6343 175.1414 38 G 4.2694 8.2060 106.6041 44.5176 0.0000 171.3915 39 Y 5.8922 9.5377 119.9921 54.9261 41.1063 176.9117 40 T 3.8811 8.7547 113.2488 64.6281 70.1972 173.6866 41 R 4.5216 7.8821 122.4576 55.7303 32.2948 173.4574 42 T 4.0177 8.5493 123.6377 61.5001 71.0964 172.1362 43 T 4.7975 7.9441 108.4596 59.0270 71.9379 174.1485 44 N 4.2052 8.6980 119.7752 57.0462 39.0271 176.3599 45 N 4.0405 7.9846 117.2238 56.6035 38.4190 177.4436 46 R 3.8749 7.7391 118.8622 59.4376 30.1222 179.0270 47 M 4.0979 7.9670 118.1058 58.2399 31.4646 178.6734 48 A 4.0872 8.2956 121.2397 55.0627 18.5029 179.7537 49 L 3.8009 7.7409 117.0162 57.9375 41.6708 179.0603 50 M 3.6618 8.1440 118.3022 58.6215 31.9539 177.6930 51 A 3.5641 7.6211 120.3642 55.3796 18.4966 179.5065 52 A 3.9283 7.5674 117.5448 55.3296 18.3604 179.9499 53 I 3.5701 7.7145 118.4541 64.4342 36.9288 178.8721 54 V 3.2766 7.6527 118.1807 65.6445 31.4691 177.7361 55 A 3.5616 7.4113 120.1958 54.8763 18.1798 179.5810 56 L 3.7904 7.6333 117.4374 58.0675 41.5984 179.6421 57 E 3.9835 8.1041 116.2787 58.4124 29.4200 178.3648 58 A 4.3454 7.2414 119.2453 51.8736 18.8064 177.0298 59 L 4.2128 7.4750 118.9271 53.9633 42.0072 176.7426 60 K 4.3882 8.5318 122.6569 56.0449 32.1604 175.7742 61 E 4.6243 7.4134 117.7742 55.0659 32.1873 174.3076 62 H 4.6616 8.6567 120.2429 56.5527 29.4138 174.5362 63 C 4.9420 8.8814 119.2964 57.5964 32.7688 173.3378 64 E 5.0615 8.8877 118.7682 55.1358 27.5075 177.1445 65 V 3.6377 7.5674 121.4724 63.2779 33.6467 175.7782 66 I 4.1565 7.8729 127.3830 59.3721 38.8757 173.9205 67 L 4.3483 7.8852 129.9708 53.9259 42.9813 174.9827 68 S 5.1959 8.9387 123.0336 57.0016 64.2425 172.7407 69 T 5.1412 8.8127 120.4743 60.9661 71.0461 173.3805 70 D 4.9613 8.8118 125.3846 53.1916 40.0459 176.6206 71 S 4.3197 8.2049 116.2048 58.5715 63.1246 174.5332 72 Q 3.9398 8.7878 130.3424 58.7520 28.9210 177.3343 73 Y 4.1134 7.9657 120.6011 60.7855 39.0556 177.5468 74 V 3.6495 8.0098 119.2384 66.1621 31.6292 177.5408 75 R 2.5100 7.3888 118.4896 58.7345 29.0992 178.0677 76 Q 3.6365 7.6153 119.5015 58.1053 28.9068 178.9825 77 G 2.5806 6.6094 105.9051 47.2580 0.0000 176.1684 78 I 3.7766 7.6725 121.8845 62.9396 37.0361 177.1170 79 T 4.3451 7.3208 107.5359 61.1889 68.8629 174.7008 80 Q 4.2848 7.1180 118.2803 56.2106 34.2334 175.0322 81 W 3.9884 6.6595 116.1907 58.5101 31.0363 177.9986 82 I 3.3469 7.2188 118.2531 64.2552 37.1720 176.5706 83 H 3.9310 7.9059 117.0039 59.5601 29.8890 176.3656 84 N 4.3245 7.7921 117.8853 55.9715 38.2565 177.2385 85 W 4.3299 7.6320 119.8424 60.0147 28.8641 178.5953 86 K 2.9016 7.2779 116.0590 58.8760 31.4136 178.9127 87 A 4.1075 7.6017 120.5508 54.0432 18.4759 178.2669 88 R 4.2712 7.6540 113.3207 55.5345 30.6650 176.0576 89 G 3.6642 7.9827 105.0375 46.9426 0.0000 173.8707 90 W 3.4873 8.3663 114.4178 57.0838 27.0314 175.0975 91 K 4.7584 7.5032 114.9340 54.6320 36.2810 177.0514 92 T 4.1903 9.4362 113.3621 61.0153 69.4244 175.2286 93 A 4.0935 8.4814 123.9962 54.5251 18.3296 177.8654 94 D 4.7981 7.9413 114.4140 53.6471 41.1077 176.3369 95 K 3.9053 8.0086 116.1606 57.4335 30.0596 175.1357 96 K 4.6728 7.6677 117.4008 53.6857 34.6395 174.3197 97 P 4.3195 0.0000 0.0000 63.4282 31.7720 176.6300 98 V 3.8726 8.1289 116.3450 60.5573 32.0350 175.8963 99 K 4.0603 8.4339 124.0836 57.4756 32.9464 176.8715 100 N 4.4763 9.2652 120.9497 54.2917 36.1120 176.5203 101 V 3.5227 7.2034 118.9333 65.0542 31.0103 177.4397 102 D 4.2088 7.9863 119.0355 56.4460 39.1041 178.4551 103 L 4.1159 7.7393 119.7491 56.5609 41.7936 179.1738 104 W 4.3620 8.2515 119.2319 59.8821 28.9555 178.6167 105 Q 3.5735 7.9961 118.1147 58.6387 28.1653 178.5711 106 R 3.8324 7.6038 119.8376 59.2606 30.0916 178.3609 107 L 3.9984 8.3427 120.5585 58.3413 42.0444 178.5332 108 D 4.6268 8.7294 117.8753 57.1342 40.9340 178.1031 109 A 4.0539 8.1604 120.8540 55.1124 18.5968 179.2338 110 A 4.1067 8.0229 118.8040 54.8783 18.3807 179.9811 111 L 4.1158 8.0799 118.0088 58.0014 41.6833 179.6136 112 G 3.8565 7.6997 102.4787 46.3269 0.0000 174.2159 113 Q 4.1765 7.4599 120.6324 56.8243 29.4673 173.7928 114 H 4.7743 7.8867 114.6098 55.8309 33.6225 173.2879 115 Q 4.4366 8.8601 118.7786 54.7977 28.8769 175.3734 116 I 4.0995 8.0427 124.5983 60.5417 38.8448 175.9150 117 K 4.3213 8.2200 126.3833 54.2903 34.6040 174.9705 118 W 4.2971 8.5769 127.6428 56.0888 30.2989 175.9021 119 E 4.1895 8.4929 124.7979 53.9643 31.6171 174.5428 120 W 5.2989 8.1810 127.8725 55.9645 29.9731 176.6044 121 V 3.9964 8.7543 126.9277 61.3703 31.4117 175.2063 122 K 4.8675 8.8732 135.0000 56.1572 31.8383 180.9304 123 G 3.8708 8.8240 102.0502 47.4144 0.0000 171.8171 124 H 4.2473 8.2180 113.6025 57.1485 29.1538 174.0255 125 A 4.3256 7.6105 117.9776 51.9541 18.2628 178.7140 126 G 3.8037 7.6366 110.2060 46.0498 0.0000 173.2810 127 H 4.7814 8.7192 116.8967 53.7209 30.2980 175.0190 128 P 4.2303 0.0000 0.0000 65.9238 30.8896 178.8743 129 E 3.7158 7.7391 116.9632 59.3102 29.1742 178.9475 130 N 4.4385 7.8117 116.4786 56.1609 38.4919 177.4074 131 E 3.9797 7.8990 119.7506 59.2432 29.5662 179.0323 132 R 3.8619 8.2581 119.1312 59.6728 30.0704 178.3056 133 C 4.1730 8.2276 116.4826 62.9074 28.1263 175.5074 134 D 5.1256 8.0600 120.8900 57.0145 40.7308 178.3159 135 E 3.9838 8.3519 119.0751 59.4231 29.4011 179.3124 136 L 4.0053 8.2945 119.1145 57.6142 41.6591 179.5269 137 A 3.9742 8.4296 121.0990 55.2788 18.5222 179.9526 138 R 3.8885 8.2025 116.4602 59.2049 29.9002 179.1572 139 A 3.9549 8.1977 119.6945 55.2045 18.7439 179.2092 140 A 3.9925 8.2507 119.2916 55.2707 18.2001 179.7052 141 A 4.0787 8.3271 118.6653 55.2373 18.5198 178.8782 142 M 4.3319 7.6793 114.1697 55.7387 33.5908 176.2548 143 N 4.9847 7.8844 117.4709 51.4600 39.3713 172.5654 144 P 4.3688 0.0000 0.0000 63.1341 32.4317 176.9504 145 T 4.4770 8.1681 109.6681 60.7901 70.3489 173.1493 146 L 4.8056 7.3040 120.9783 52.9339 45.4936 174.6158 147 E 4.9969 8.5188 118.4230 54.9544 31.9218 176.4387 148 D 4.7791 8.4663 121.9651 53.1551 39.9779 176.8188 149 T 4.2268 8.3166 114.2704 62.6469 69.4002 176.2805 150 G 3.7085 7.8370 110.8977 46.8290 0.0000 173.2413 151 Y 4.2655 7.6903 121.8908 56.8921 39.0521 174.7865 152 Q 3.8714 8.1200 127.0617 54.2190 28.5537 175.8754 153 V 3.0530 7.7097 123.1271 63.5455 31.5971 175.5092 154 E 4.3250 8.6612 125.7443 56.1185 30.3684 176.4889 155 V 3.7225 7.6890 123.8182 62.0742 33.1230 173.6808 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.30 4.47 0.00 2.03 2.08 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.52 0.00 2 L 7.78 4.27 0.00 1.65 1.55 1.00 0.54 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 3 K 8.79 4.32 0.00 1.69 1.54 0.00 1.49 0.00 0.00 1.50 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.17 1.33 7.81 4 Q 8.79 3.64 0.00 2.17 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 5.83 0.00 0.00 0.00 0.00 0.00 2.43 2.35 0.00 5 V 8.52 3.68 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 0.90 0.00 0.00 0.87 0.00 0.00 6 E 9.08 4.68 0.00 1.82 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 2.06 2.19 0.00 7 I 8.12 4.97 1.62 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.82 0.83 0.00 0.00 8 F 9.15 5.49 0.00 3.00 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 9 T 8.59 5.32 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 10 D 8.91 4.64 0.00 2.86 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 G 8.80 4.70 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 12 S 8.83 5.00 0.00 3.92 3.69 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 13 C 8.38 5.16 0.00 2.96 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 14 L 9.19 4.38 0.00 1.73 1.69 0.98 0.74 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 15 G 7.33 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 16 N 8.21 4.92 0.00 2.66 2.68 0.00 0.00 6.82 7.69 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 17 P 0.00 4.60 0.00 1.89 1.76 0.00 3.92 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 2.00 2.16 0.00 18 G 8.42 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 0.00 0.00 0.00 19 P 0.00 4.89 0.00 2.14 2.00 0.00 3.86 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 20 G 9.30 4.43 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 0.00 21 G 9.24 4.66 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 0.00 0.00 0.00 22 Y 8.23 5.52 0.00 3.13 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 23 G 9.80 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 0.00 0.00 0.00 0.00 24 A 9.00 5.54 1.45 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 25 I 9.40 5.13 2.16 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 1.18 1.07 1.10 0.00 0.00 26 L 9.62 5.20 0.00 2.01 1.72 0.94 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 27 R 9.39 5.24 0.00 2.03 1.84 0.00 3.17 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.79 0.00 28 Y 9.14 4.82 0.00 3.03 2.81 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 29 R 9.24 3.63 0.00 1.23 1.58 0.00 3.08 0.00 0.00 3.02 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.50 0.00 30 G 8.04 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 R 7.30 4.03 0.00 2.18 1.94 0.00 3.15 0.00 0.00 3.32 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 32 E 8.48 5.16 0.00 1.93 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.40 0.00 33 K 9.79 4.63 0.00 1.60 1.28 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.28 1.38 7.81 34 T 8.12 5.02 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 1.21 0.00 0.00 35 F 9.12 5.07 0.00 3.08 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 36 S 8.99 4.84 0.00 3.82 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 37 A 7.10 4.37 1.04 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 0.00 0.00 38 G 8.21 4.27 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 0.00 39 Y 9.54 5.89 0.00 2.89 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 40 T 8.75 3.88 4.27 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 1.27 0.00 0.00 41 R 7.88 4.52 0.00 1.83 1.91 0.00 3.37 0.00 0.00 3.22 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 42 T 8.55 4.02 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 1.21 0.00 0.00 43 T 7.94 4.80 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 0.89 0.00 0.00 44 N 8.70 4.21 0.00 2.82 2.80 0.00 0.00 6.86 6.71 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 45 N 7.98 4.04 0.00 2.35 1.55 0.00 0.00 7.07 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 46 R 7.74 3.87 0.00 1.74 1.84 0.00 3.42 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 47 M 7.97 4.10 0.00 2.35 2.29 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.80 0.00 48 A 8.30 4.09 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.74 3.80 0.00 1.72 1.43 0.30 -0.57 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 50 M 8.14 3.66 0.00 1.82 2.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.56 0.00 51 A 7.62 3.56 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 0.00 0.00 0.00 0.00 0.00 52 A 7.57 3.93 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 I 7.71 3.57 1.84 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.72 0.83 0.00 0.00 54 V 7.65 3.28 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 0.39 0.00 0.00 0.58 0.00 0.00 55 A 7.41 3.56 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 56 L 7.63 3.79 0.00 1.73 1.70 0.90 0.86 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 57 E 8.10 3.98 0.00 1.89 1.96 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 2.31 2.38 0.00 58 A 7.24 4.35 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 59 L 7.48 4.21 0.00 1.66 1.56 0.55 1.08 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 60 K 8.53 4.39 0.00 1.70 1.80 0.00 1.81 0.00 0.00 1.64 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.47 7.81 61 E 7.41 4.62 0.00 1.80 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 2.12 2.32 0.00 62 H 8.66 4.66 0.00 3.05 3.21 0.00 5.71 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 C 8.88 4.94 0.00 2.69 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 64 E 8.89 5.06 0.00 1.78 1.84 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 2.22 2.20 0.00 65 V 7.57 3.64 1.85 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 0.67 0.00 0.00 0.72 0.00 0.00 66 I 7.87 4.16 1.64 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.44 0.73 0.00 0.00 67 L 7.89 4.35 0.00 0.82 0.58 0.21 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.94 5.20 0.00 3.96 3.66 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 69 T 8.81 5.14 4.48 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 1.72 0.00 0.00 70 D 8.81 4.96 0.00 2.92 2.84 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 71 S 8.20 4.32 0.00 4.08 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 72 Q 8.79 3.94 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.70 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 73 Y 7.97 4.11 0.00 3.15 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 74 V 8.01 3.65 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 1.01 0.00 0.00 1.04 0.00 0.00 75 R 7.39 2.51 0.00 0.71 1.20 0.00 2.27 0.00 0.00 2.56 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.50 0.00 76 Q 7.62 3.64 0.00 1.75 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.52 0.00 0.00 0.00 0.00 0.00 1.16 2.08 0.00 77 G 6.61 2.58 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 78 I 7.67 3.78 1.37 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 -0.16 0.52 0.00 0.00 79 T 7.32 4.35 4.02 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 1.04 0.00 0.00 80 Q 7.12 4.28 0.00 1.48 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.51 6.87 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 81 W 6.66 3.99 0.00 1.96 1.74 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 82 I 7.22 3.35 1.75 0.00 0.00 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 1.54 1.24 0.77 0.00 0.00 83 H 7.91 3.93 0.00 3.01 3.20 0.00 5.98 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 84 N 7.79 4.32 0.00 2.60 2.71 0.00 0.00 7.07 7.74 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 85 W 7.63 4.33 0.00 3.02 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 K 7.28 2.90 0.00 1.64 1.69 0.00 1.72 0.00 0.00 1.64 0.00 0.00 3.11 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.08 1.30 7.81 87 A 7.60 4.11 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 88 R 7.65 4.27 0.00 1.80 1.96 0.00 3.31 0.00 0.00 3.21 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 89 G 7.98 3.66 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 0.00 0.00 0.00 90 W 8.37 3.49 0.00 3.34 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 91 K 7.50 4.76 0.00 1.81 1.66 0.00 1.93 0.00 0.00 1.77 0.00 0.00 3.10 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.59 1.38 7.81 92 T 9.44 4.19 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 1.22 0.00 0.00 93 A 8.48 4.09 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 94 D 7.94 4.80 0.00 2.66 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 95 K 8.01 3.91 0.00 1.91 1.89 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.53 7.81 96 K 7.67 4.67 0.00 1.70 1.67 0.00 1.68 0.00 0.00 1.86 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.53 7.81 97 P 0.00 4.32 0.00 1.90 1.97 0.00 3.65 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 2.01 2.13 0.00 98 V 8.13 3.87 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 0.19 0.00 0.00 0.53 0.00 0.00 99 K 8.43 4.06 0.00 1.82 1.75 0.00 1.92 0.00 0.00 1.91 0.00 0.00 3.09 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.67 1.54 7.81 100 N 9.27 4.48 0.00 3.34 2.99 0.00 0.00 7.34 7.68 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 0.00 101 V 7.20 3.52 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 0.75 0.00 0.00 0.62 0.00 0.00 102 D 7.99 4.21 0.00 2.82 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 L 7.74 4.12 0.00 1.52 1.55 0.82 0.86 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 0.00 104 W 8.25 4.36 0.00 3.31 3.36 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 0.00 105 Q 8.00 3.57 0.00 1.77 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.80 0.00 0.00 0.00 0.00 0.00 1.16 1.21 0.00 106 R 7.60 3.83 0.00 1.90 2.07 0.00 3.47 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 107 L 8.34 4.00 0.00 1.85 2.06 1.09 0.97 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 0.00 108 D 8.73 4.63 0.00 3.30 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 0.00 109 A 8.16 4.05 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 0.00 110 A 8.02 4.11 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 0.00 111 L 8.08 4.12 0.00 2.07 1.90 1.37 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 112 G 7.70 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 0.00 113 Q 7.46 4.18 0.00 1.91 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.83 6.58 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 114 H 7.89 4.77 0.00 2.98 3.29 0.00 5.69 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 Q 8.86 4.44 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.99 0.00 0.00 0.00 0.00 0.00 2.28 2.45 0.00 116 I 8.04 4.10 1.82 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.71 -0.02 0.00 0.00 117 K 8.22 4.32 0.00 1.74 1.61 0.00 1.46 0.00 0.00 1.60 0.00 0.00 2.85 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.23 1.30 7.81 118 W 8.58 4.30 0.00 2.59 1.74 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 0.00 119 E 8.49 4.19 0.00 1.85 1.68 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 2.18 2.22 0.00 120 W 8.18 5.30 0.00 3.27 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 0.00 121 V 8.75 4.00 2.20 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 0.78 0.00 0.00 1.06 0.00 0.00 122 K 8.87 4.87 0.00 1.95 1.14 0.00 1.67 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.47 7.81 123 G 8.82 3.87 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 0.00 0.00 0.00 124 H 8.22 4.25 0.00 3.19 3.35 0.00 5.92 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 A 7.61 4.33 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 G 7.64 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 0.00 0.00 0.00 127 H 8.72 4.78 0.00 3.06 3.19 0.00 5.63 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 P 0.00 4.23 0.00 2.06 2.05 0.00 3.53 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.15 0.00 129 E 7.74 3.72 0.00 1.16 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 0.00 1.72 2.12 0.00 130 N 7.81 4.44 0.00 2.94 2.91 0.00 0.00 6.99 7.65 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 0.00 131 E 7.90 3.98 0.00 2.06 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 2.62 2.28 0.00 132 R 8.26 3.86 0.00 1.95 2.06 0.00 3.25 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.72 0.00 133 C 8.23 4.17 0.00 3.28 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 0.00 134 D 8.06 5.13 0.00 3.02 2.95 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 0.00 135 E 8.35 3.98 0.00 2.19 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 2.34 2.59 0.00 136 L 8.29 4.01 0.00 1.88 1.73 0.97 1.09 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 0.00 137 A 8.43 3.97 1.51 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 0.00 0.00 138 R 8.20 3.89 0.00 1.85 2.00 0.00 3.31 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.81 0.00 139 A 8.20 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 0.00 140 A 8.25 3.99 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 0.00 141 A 8.33 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 0.00 142 M 7.68 4.33 0.00 2.03 2.22 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 2.61 2.68 0.00 143 N 7.88 4.98 0.00 2.60 2.62 0.00 0.00 7.14 7.23 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 0.00 144 P 0.00 4.37 0.00 2.23 2.14 0.00 3.74 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 145 T 8.17 4.48 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 1.15 0.00 0.00 146 L 7.30 4.81 0.00 1.08 1.46 0.82 0.88 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 0.00 147 E 8.52 5.00 0.00 2.01 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 148 D 8.47 4.78 0.00 2.51 2.75 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 0.00 0.00 0.00 149 T 8.32 4.23 4.27 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 1.26 0.00 0.00 150 G 7.84 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 0.00 151 Y 7.69 4.27 0.00 3.01 3.08 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 0.00 0.00 0.00 152 Q 8.12 3.87 0.00 1.87 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.63 0.00 0.00 0.00 0.00 0.00 2.21 2.22 0.00 153 V 7.71 3.05 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 0.86 0.00 0.00 0.88 0.00 0.00 154 E 8.66 4.33 0.00 2.09 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 2.27 2.42 0.00 155 V 7.69 3.72 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 0.66 0.00 0.00 0.95 0.00 0.00