NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 K 4.3293 8.3149 120.1420 55.7450 32.3884 175.3580 7 L 4.1831 8.3351 123.9115 53.5126 42.2654 175.1541 8 H 5.1028 9.1388 116.2162 54.0156 32.6915 172.4327 9 K 4.6550 8.6257 119.2220 55.8009 33.3643 175.9562 10 E 5.0015 9.3679 123.3373 53.6901 33.3925 173.8414 11 P 4.8640 0.0000 0.0000 63.2002 32.4797 174.8755 12 A 4.8613 8.4166 121.8161 51.3999 23.1186 175.4807 13 T 4.5973 8.5769 115.1536 61.2764 71.8437 173.9993 14 L 4.0602 8.7454 128.5993 56.0059 42.2845 175.3645 15 I 4.3571 8.5649 125.6983 61.9898 38.4890 175.2695 16 K 4.6444 8.5070 121.5099 55.1522 36.1720 174.2465 17 A 4.6575 8.6334 129.8727 51.7242 19.6316 176.9632 18 I 4.2226 8.4619 123.4599 62.5824 38.4558 174.9078 19 D 4.6273 7.5474 117.2652 52.8695 44.0480 175.3474 20 G 3.7791 8.8136 108.9240 48.1347 0.0000 173.8502 21 D 5.0384 8.0764 116.5721 52.8586 41.4794 175.3488 22 T 5.1434 8.0168 115.1420 62.4754 72.6384 172.9825 23 I 4.8684 8.8215 126.4331 59.2895 41.7780 174.2404 24 K 4.9515 9.6024 128.3522 55.6272 33.6841 175.4810 25 I 5.1204 9.0560 127.4914 59.7665 42.1844 174.0913 26 M 4.8290 9.1094 126.3088 54.9762 33.3325 174.2192 27 Y 4.9948 9.0325 128.4844 55.9461 41.8612 175.6358 28 K 3.6145 9.3914 126.9265 57.5006 29.7026 176.4142 29 G 3.9849 8.5101 104.8511 45.3879 0.0000 173.7680 30 Q 4.8908 8.0005 118.4936 53.1922 31.7146 173.2625 31 P 4.9607 0.0000 0.0000 63.4209 32.1183 175.4131 32 M 5.0017 9.7139 122.6601 53.9160 37.1269 174.1040 33 T 4.8989 8.4524 117.8884 62.7571 70.6141 173.6630 34 F 5.0706 9.5410 125.2563 55.5986 41.8314 174.2362 35 R 5.0258 8.9240 123.7123 54.4747 32.1772 175.0832 36 L 4.6649 8.7162 127.3702 54.2404 42.4635 177.2763 37 L 3.9014 8.5367 124.7768 56.1748 42.1521 178.1956 38 L 3.9105 8.8579 120.4939 54.9428 39.3669 174.0396 39 V 4.9740 7.3100 110.4188 59.5669 34.7386 174.6960 40 D 5.0404 9.1191 124.6954 52.9014 42.8090 175.8449 41 T 4.5224 8.5137 113.6138 59.1609 71.4254 172.9153 42 P 4.4627 0.0000 0.0000 62.7072 32.0655 175.6420 43 E 4.8674 10.2390 121.8554 55.0631 31.7356 176.9794 44 T 4.2570 8.5441 110.3305 62.2181 70.8201 175.3937 45 K 4.5639 7.6119 119.6817 55.1225 31.6034 175.4452 46 H 4.8747 7.9636 119.0568 53.4983 31.4743 173.2664 47 P 4.1503 0.0000 0.0000 65.8924 31.3117 177.6365 48 K 4.1584 7.4390 115.0793 58.8452 32.6486 178.3695 49 K 4.1020 8.3644 118.3607 57.3363 33.9836 177.1846 50 G 3.9722 8.7047 108.5994 43.6209 0.0000 173.9205 51 V 4.4520 8.4167 126.5813 61.1162 32.7298 174.8662 52 E 4.4486 9.3473 127.2793 54.4026 31.7166 175.6870 53 K 3.8192 8.3422 123.0062 58.6828 32.2996 176.5938 54 Y 4.4597 8.2392 123.6562 59.3923 36.2207 171.1125 55 G 3.9685 8.4084 107.7447 47.5331 0.0000 174.0876 56 P 4.2849 0.0000 0.0000 64.9742 31.4376 178.6720 57 E 4.0032 8.1847 116.8534 59.4031 29.5393 179.0403 58 A 4.0245 8.8428 121.4533 55.2013 18.4221 179.6604 59 S 4.1516 8.4285 111.6563 61.4832 62.3811 176.2914 60 A 4.0582 8.3953 123.7948 54.7819 18.0623 179.3862 61 F 3.9449 8.4074 119.2851 61.8074 39.4488 177.3346 62 T 3.9267 8.1580 115.3091 66.5684 68.3024 176.2923 63 K 3.8707 7.9886 121.2323 59.5532 32.1515 178.8560 64 K 3.8768 8.2153 118.8529 59.6038 31.7494 178.8675 65 M 3.8102 7.6210 117.0518 58.8810 32.3022 178.3387 66 V 3.8411 8.0398 112.3514 63.8452 31.6133 178.5027 67 E 3.9634 8.4626 118.2676 59.3228 29.3834 177.5296 68 N 4.5915 8.2670 113.4175 53.3338 38.7993 175.0789 69 A 4.5563 7.3905 121.8624 51.4487 19.5576 178.3162 70 K 4.1804 8.8926 120.9484 58.5331 32.6474 178.2193 71 K 4.6645 8.6721 117.8665 54.4115 36.0431 175.6657 72 V 4.9203 8.4272 124.0476 61.2225 34.1443 174.0492 73 E 5.1868 9.2213 125.9673 54.7138 33.9432 174.9033 74 V 4.6105 9.0438 115.7067 59.5593 34.9807 174.7657 75 E 4.9101 8.8989 124.5359 54.2903 32.0440 174.9990 76 F 4.6775 8.7717 125.8201 57.8158 39.9624 175.7670 77 D 4.9806 8.5314 121.3235 53.4491 43.2128 175.7385 78 K 4.4384 8.8628 116.9610 57.5451 34.0755 177.8294 79 G 4.2190 8.5245 110.6396 45.0501 0.0000 173.9090 80 Q 4.1186 8.6533 122.4947 56.5614 29.3333 176.5457 81 R 4.7405 8.4084 116.9865 56.2858 31.9393 175.4136 82 T 5.1230 7.6862 108.4420 59.9382 72.4155 173.4655 83 D 4.9626 8.7094 123.4784 51.8788 42.3085 176.7807 84 K 4.0237 8.6560 116.2326 59.0230 32.7379 176.8246 85 Y 4.2616 8.1382 116.5476 57.7194 37.9612 176.2679 86 G 3.9140 8.0954 107.9221 45.5279 0.0000 173.9653 87 R 4.3714 8.4662 119.8600 54.8706 31.7375 176.5173 88 G 3.1707 8.2070 110.7066 46.2136 0.0000 172.4256 89 L 5.3256 8.8164 123.5984 53.0972 43.4035 175.5858 90 A 4.4967 8.3522 123.9385 50.9512 23.6708 173.9782 91 Y 4.8069 8.7718 117.4151 57.3050 39.7196 175.1942 92 I 4.8152 8.6927 124.4809 59.7126 40.1660 174.1244 93 Y 5.1401 9.0327 123.6914 56.0443 41.2952 174.5499 94 A 4.8716 9.1283 125.4958 50.1552 21.4744 176.2836 95 D 4.4920 9.9236 125.8088 55.8956 38.9886 175.3888 96 G 3.9816 8.3235 104.9968 45.2503 0.0000 173.0316 97 K 4.5303 7.8613 120.2623 54.6208 33.8081 175.2992 98 M 3.9813 8.5409 123.6502 55.0341 33.1287 176.8511 99 V 3.6409 8.6074 127.5178 66.1951 31.2206 177.6850 100 N 4.3438 7.9930 115.7579 56.3437 38.4189 176.8486 101 E 3.8954 8.0587 119.9873 59.0203 29.8240 178.3491 102 A 4.0342 8.0523 120.9361 55.2280 18.3870 179.5438 103 L 3.4839 7.8526 117.1536 57.8536 41.6941 180.0392 104 V 3.7281 7.4160 117.2704 66.0455 31.2839 178.0742 105 R 3.9474 8.4336 117.6678 59.0887 29.9548 177.5066 106 Q 4.3294 7.7702 115.3613 55.0174 29.0137 175.9796 107 G 3.9030 7.9957 108.6682 46.7768 0.0000 174.8119 108 L 4.6222 7.6807 116.6836 53.8114 42.4160 176.2084 109 A 4.6289 7.4807 118.5355 51.0078 21.9814 176.1484 110 K 4.8553 8.5897 119.4400 54.4762 35.1691 176.2209 111 V 4.1687 9.2752 123.6159 62.8860 31.8677 175.9889 112 A 4.6135 9.0893 130.6333 50.8120 19.5878 176.3633 113 Y 3.7051 8.5219 120.3815 57.8814 39.1353 175.3910 114 V 4.0511 7.3986 126.6275 61.2612 33.2893 174.3233 115 Y 4.8482 8.1733 123.9954 55.9749 39.3015 175.6147 116 K 4.5402 8.6741 124.8218 55.9805 32.8212 175.0587 117 P 4.7828 0.0000 0.0000 63.1073 31.7833 177.0020 118 N 4.9258 8.1024 118.9588 52.3031 36.9550 175.1160 119 N 5.1382 7.7686 113.5903 53.1463 39.0472 177.6390 120 T 3.8152 8.6604 117.5617 67.8860 68.6907 175.2081 121 H 4.8424 7.7970 117.0911 55.9376 29.0523 177.1325 122 E 3.9763 8.3187 123.4360 59.5309 29.3053 178.7634 123 Q 3.9493 8.0094 117.5520 59.1870 28.8927 177.8210 124 H 4.1610 8.2851 118.7190 59.5811 29.8232 177.0759 125 L 3.9313 7.9844 120.5217 57.8168 41.4253 179.7419 126 R 4.0593 8.2741 118.3336 58.9070 30.0400 179.2509 127 K 3.9406 8.2458 118.6687 59.6416 32.0501 179.5723 128 S 4.1253 8.0059 115.4134 61.4159 62.7070 176.3332 129 E 3.9238 8.5983 122.3697 59.2129 29.3933 178.7819 130 A 3.7583 8.0692 120.9062 54.8434 18.3144 179.4275 131 Q 3.7912 7.9124 117.5271 59.3849 29.1959 178.4226 132 A 3.9953 8.0602 121.6670 54.8655 18.2469 179.9076 133 K 3.3654 7.5043 117.2194 59.3189 31.8377 179.3842 134 K 3.7904 7.6334 118.5107 59.2740 32.1405 177.7464 135 E 4.2223 8.1237 116.1240 55.4184 30.3779 176.1550 136 K 4.2577 8.0079 117.9745 56.0457 30.5703 174.9707 137 L 4.2906 8.0272 118.2084 55.4063 44.3214 177.5360 138 N 3.6856 9.0109 120.9626 53.9108 37.6826 176.2715 139 I 3.2148 5.6209 126.2575 64.7687 37.3484 176.4610 140 W 4.8993 8.0318 118.4992 56.4778 29.0712 176.6392 141 S 4.7866 8.2157 119.5420 57.7835 62.6897 173.9085 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 6 K 8.31 4.33 0.00 1.80 1.91 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.37 1.44 7.81 7 L 8.34 4.18 0.00 1.81 1.75 1.04 0.91 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 8 H 9.14 5.10 0.00 3.14 3.23 0.00 5.52 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.63 4.66 0.00 1.57 1.68 0.00 1.38 0.00 0.00 1.28 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.07 1.26 7.81 10 E 9.37 5.00 0.00 2.06 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 2.26 0.00 11 P 0.00 4.86 0.00 2.06 2.06 0.00 3.54 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 1.99 2.10 0.00 12 A 8.42 4.86 1.21 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 13 T 8.58 4.60 4.26 0.00 0.00 0.00 0.00 0.00 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 14 L 8.75 4.06 0.00 1.62 1.57 0.97 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 15 I 8.56 4.36 2.03 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.78 0.94 0.00 0.00 16 K 8.51 4.64 0.00 1.81 1.60 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.35 1.41 7.81 17 A 8.63 4.66 1.25 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 0.00 0.00 18 I 8.46 4.22 2.04 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 1.19 0.69 0.91 0.00 0.00 19 D 7.55 4.63 0.00 2.70 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 8.81 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 21 D 8.08 5.04 0.00 2.77 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 22 T 8.02 5.14 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 1.26 0.00 0.00 23 I 8.82 4.87 1.89 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 1.13 0.68 0.95 0.00 0.00 24 K 9.60 4.95 0.00 1.86 1.79 0.00 1.51 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.67 7.81 25 I 9.06 5.12 1.83 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.66 0.90 0.00 0.00 26 M 9.11 4.83 0.00 2.16 2.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.55 0.00 27 Y 9.03 4.99 0.00 3.19 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 28 K 9.39 3.61 0.00 1.49 1.65 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.93 0.21 7.81 29 G 8.51 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 30 Q 8.00 4.89 0.00 2.12 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.95 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 31 P 0.00 4.96 0.00 2.15 2.16 0.00 3.76 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.04 0.00 32 M 9.71 5.00 0.00 1.86 2.25 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 2.59 0.00 33 T 8.45 4.90 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 1.23 0.00 0.00 34 F 9.54 5.07 0.00 2.98 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 35 R 8.92 5.03 0.00 1.89 1.78 0.00 3.33 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 36 L 8.72 4.66 0.00 1.57 1.61 0.98 1.16 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 37 L 8.54 3.90 0.00 1.19 1.27 0.33 0.37 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 38 L 8.86 3.91 0.00 2.05 1.93 1.16 1.00 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 39 V 7.31 4.97 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 0.77 0.00 0.00 0.95 0.00 0.00 40 D 9.12 5.04 0.00 2.57 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 41 T 8.51 4.52 4.22 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 1.24 0.00 0.00 42 P 0.00 4.46 0.00 2.32 2.04 0.00 3.53 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.06 0.00 43 E 10.24 4.87 0.00 1.98 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 2.24 2.39 0.00 44 T 8.54 4.26 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 1.21 0.00 0.00 45 K 7.61 4.56 0.00 1.75 1.76 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.32 7.81 46 H 7.96 4.87 0.00 3.11 3.14 0.00 5.67 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.15 0.00 1.86 2.02 0.00 3.30 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.01 0.00 48 K 7.44 4.16 0.00 1.85 1.88 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.34 7.81 49 K 8.36 4.10 0.00 1.69 1.81 0.00 1.60 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.48 7.81 50 G 8.70 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 0.00 0.00 0.00 51 V 8.42 4.45 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 0.82 0.00 0.00 0.92 0.00 0.00 52 E 9.35 4.45 0.00 1.87 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 2.23 2.58 0.00 53 K 8.34 3.82 0.00 1.66 1.69 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.76 1.13 7.81 54 Y 8.24 4.46 0.00 3.18 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 55 G 8.41 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 0.00 0.00 0.00 56 P 0.00 4.28 0.00 2.16 2.11 0.00 3.52 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.16 0.00 57 E 8.18 4.00 0.00 2.39 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 2.55 2.51 0.00 58 A 8.84 4.02 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.43 4.15 0.00 3.96 4.08 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 60 A 8.40 4.06 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 F 8.41 3.94 0.00 3.22 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 62 T 8.16 3.93 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 1.28 0.00 0.00 63 K 7.99 3.87 0.00 1.91 2.03 0.00 1.65 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.59 7.81 64 K 8.22 3.88 0.00 1.66 1.72 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.83 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.41 7.81 65 M 7.62 3.81 0.00 2.00 1.74 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.52 0.00 66 V 8.04 3.84 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 1.02 0.00 0.00 1.00 0.00 0.00 67 E 8.46 3.96 0.00 2.02 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 68 N 8.27 4.59 0.00 2.73 2.81 0.00 0.00 7.01 8.18 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 69 A 7.39 4.56 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 70 K 8.89 4.18 0.00 1.87 1.87 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.47 1.62 7.81 71 K 8.67 4.66 0.00 1.66 1.65 0.00 1.61 0.00 0.00 1.57 0.00 0.00 2.76 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.34 7.81 72 V 8.43 4.92 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 1.01 0.00 0.00 0.92 0.00 0.00 73 E 9.22 5.19 0.00 1.95 1.81 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 2.21 2.26 0.00 74 V 9.04 4.61 1.42 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 0.03 0.00 0.00 0.74 0.00 0.00 75 E 8.90 4.91 0.00 2.23 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 0.00 2.52 2.54 0.00 76 F 8.77 4.68 0.00 3.05 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 77 D 8.53 4.98 0.00 2.70 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 78 K 8.86 4.44 0.00 1.90 1.97 0.00 1.70 0.00 0.00 1.97 0.00 0.00 3.06 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.56 1.57 7.81 79 G 8.52 4.22 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 0.00 80 Q 8.65 4.12 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.30 0.00 81 R 8.41 4.74 0.00 1.42 1.36 0.00 2.67 0.00 0.00 2.25 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.51 0.00 82 T 7.69 5.12 4.22 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 1.11 0.00 0.00 83 D 8.71 4.96 0.00 2.82 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 84 K 8.66 4.02 0.00 1.62 1.79 0.00 1.26 0.00 0.00 1.52 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.10 0.54 7.81 85 Y 8.14 4.26 0.00 3.13 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 86 G 8.10 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 87 R 8.47 4.37 0.00 2.02 1.86 0.00 3.13 0.00 0.00 3.14 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 88 G 8.21 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 0.00 0.00 0.00 89 L 8.82 5.33 0.00 1.52 1.61 0.96 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.35 4.50 1.01 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 91 Y 8.77 4.81 0.00 3.00 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 92 I 8.69 4.82 1.79 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.90 0.84 0.00 0.00 93 Y 9.03 5.14 0.00 2.90 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 9.13 4.87 1.19 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 0.00 0.00 95 D 9.92 4.49 0.00 2.74 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 96 G 8.32 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 97 K 7.86 4.53 0.00 1.99 1.76 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.38 7.81 98 M 8.54 3.98 0.00 1.90 1.62 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.49 0.00 99 V 8.61 3.64 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.90 0.00 0.00 100 N 7.99 4.34 0.00 2.89 2.92 0.00 0.00 6.78 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 0.00 101 E 8.06 3.90 0.00 1.89 1.89 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 2.24 2.05 0.00 102 A 8.05 4.03 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 0.00 103 L 7.85 3.48 0.00 1.86 1.62 1.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 104 V 7.42 3.73 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 1.03 0.00 0.00 1.01 0.00 0.00 105 R 8.43 3.95 0.00 1.98 2.07 0.00 3.34 0.00 0.00 3.21 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 106 Q 7.77 4.33 0.00 1.75 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.33 0.00 0.00 0.00 0.00 0.00 2.36 2.07 0.00 107 G 8.00 3.90 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 0.00 0.00 0.00 108 L 7.68 4.62 0.00 1.29 1.47 0.42 0.68 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 0.00 109 A 7.48 4.63 1.16 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 0.00 0.00 110 K 8.59 4.86 0.00 1.71 1.79 0.00 1.83 0.00 0.00 2.03 0.00 0.00 2.82 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.16 7.81 111 V 9.28 4.17 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 0.75 0.00 0.00 0.96 0.00 0.00 112 A 9.09 4.61 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 0.00 113 Y 8.52 3.71 0.00 2.87 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 0.00 114 V 7.40 4.05 1.88 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 0.92 0.00 0.00 0.94 0.00 0.00 115 Y 8.17 4.85 0.00 3.13 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 K 8.67 4.54 0.00 1.81 1.79 0.00 1.76 0.00 0.00 1.79 0.00 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.46 7.81 117 P 0.00 4.78 0.00 2.22 2.16 0.00 3.81 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 1.97 2.01 0.00 118 N 8.10 4.93 0.00 2.96 2.89 0.00 0.00 6.63 7.51 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 0.00 119 N 7.77 5.14 0.00 2.97 2.98 0.00 0.00 6.10 7.22 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 0.00 120 T 8.66 3.82 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 1.12 0.00 0.00 121 H 7.80 4.84 0.00 2.85 3.11 0.00 5.62 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 0.00 122 E 8.32 3.98 0.00 2.18 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 2.30 2.35 0.00 123 Q 8.01 3.95 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.63 0.00 0.00 0.00 0.00 0.00 2.44 2.36 0.00 124 H 8.29 4.16 0.00 3.21 3.46 0.00 5.87 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 0.00 125 L 7.98 3.93 0.00 1.90 1.69 1.00 0.76 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 0.00 126 R 8.27 4.06 0.00 2.03 1.94 0.00 3.10 0.00 0.00 3.13 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 127 K 8.25 3.94 0.00 2.00 1.85 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.60 7.81 128 S 8.01 4.13 0.00 3.94 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 0.00 129 E 8.60 3.92 0.00 2.10 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 2.17 2.55 0.00 130 A 8.07 3.76 1.21 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 0.00 131 Q 7.91 3.79 0.00 2.17 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 132 A 8.06 4.00 1.52 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 0.00 0.00 133 K 7.50 3.37 0.00 1.46 1.19 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.48 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.30 0.86 7.81 134 K 7.63 3.79 0.00 1.64 1.98 0.00 1.62 0.00 0.00 1.66 0.00 0.00 3.08 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.49 7.81 135 E 8.12 4.22 0.00 2.02 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 2.30 2.45 0.00 136 K 8.01 4.26 0.00 1.96 1.89 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.55 1.49 7.81 137 L 8.03 4.29 0.00 1.79 1.67 1.02 0.78 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 0.00 138 N 9.01 3.69 0.00 2.65 1.42 0.00 0.00 7.12 7.59 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 0.00 139 I 5.62 3.21 1.34 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.01 -0.88 0.00 0.00 140 W 8.03 4.90 0.00 3.54 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 0.00 141 S 8.22 4.79 0.00 3.97 4.04 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