NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 S 4.2899 8.3344 115.3595 57.4680 64.3479 172.5976 22 R 3.6609 8.4080 120.9333 55.5967 30.0754 173.5175 23 N 5.2306 9.4886 125.3556 52.6337 40.5377 173.5807 24 Y 4.3229 9.0905 123.5581 58.6152 38.5385 175.6030 25 L 4.3280 7.9194 120.5319 53.4118 42.9221 176.5740 26 K 4.1234 8.6299 122.9556 56.7921 33.3623 176.2251 27 N 4.1438 8.6744 118.2575 54.1673 37.4637 173.9018 28 P 4.6296 0.0000 0.0000 64.7786 31.9439 177.9416 29 G 4.5393 7.7570 106.0304 44.7382 0.0000 173.3752 30 F 3.9640 7.4920 116.1377 58.3022 36.8154 176.7463 31 E 4.2994 7.7367 120.4606 58.1459 29.2909 178.1464 32 T 3.8292 7.5987 108.4601 62.3809 69.1028 175.9102 33 G 3.4072 7.7331 110.1788 45.3234 0.0000 172.6064 34 E 4.7509 7.6390 117.3252 54.0995 33.8265 175.9878 35 F 4.6238 8.8102 118.5629 60.5841 39.3280 176.4634 36 S 4.5035 8.3500 113.8234 58.6837 62.3289 171.6637 37 P 4.7819 0.0000 0.0000 62.4031 31.4073 175.6003 38 W 4.5100 8.2944 119.2684 57.4600 29.7386 175.4377 39 R 4.5739 9.3518 124.9058 54.8566 31.7177 174.7936 40 V 4.7749 8.1580 125.6043 61.3901 33.1116 174.8295 41 S 4.7078 9.3871 123.6044 56.9319 66.5612 173.9262 42 G 4.3377 9.0007 108.0483 45.5035 0.0000 177.1790 43 D 4.7127 9.3705 117.6160 52.6702 39.2359 176.7404 44 K 3.7707 8.1026 122.7866 58.9607 32.6831 179.6189 45 K 3.9428 7.9550 116.4528 59.2570 32.6009 177.4818 46 A 4.2658 7.8960 121.3275 52.4637 18.6342 176.6379 47 V 4.6995 7.3459 115.3663 60.8822 34.3375 174.8220 48 K 4.9167 9.0587 125.5629 54.8829 37.1697 175.0093 49 V 4.3850 7.8655 121.5843 61.7525 32.6710 175.4579 50 V 4.6542 8.8351 120.3807 59.2174 36.2719 174.9824 51 K 3.8912 8.7184 124.3945 55.4598 32.2017 176.4011 52 A 4.1303 8.4826 130.8469 52.2864 19.0529 176.6565 53 N 4.6385 8.5665 120.1429 50.8974 40.5703 172.2168 54 P 4.5480 0.0000 0.0000 61.9699 32.5051 177.7530 55 S 4.1649 8.6036 113.9579 61.2505 62.9031 176.5942 56 S 4.2597 8.0186 114.5004 60.6730 62.7629 175.1812 57 N 4.1880 8.1955 118.3650 55.5726 38.3285 175.4520 58 A 4.6278 7.7013 120.3703 51.9348 19.4349 176.6888 59 H 3.9462 9.2688 120.2790 57.3913 30.6461 175.5701 60 Q 4.4162 7.9266 115.4426 55.3473 31.7094 175.7878 61 G 4.0795 8.4574 107.2421 46.0873 0.0000 172.8229 62 E 4.5254 9.2634 116.7870 56.4173 31.5486 175.6089 63 Y 5.3618 8.7149 116.3642 56.4552 41.2570 174.7090 64 A 4.9284 8.7964 121.6678 50.8699 23.6741 175.6798 65 V 3.8943 8.4211 120.0863 62.6951 32.9094 174.4322 66 N 4.9867 9.2740 126.9336 51.4671 41.6568 172.8832 67 F 5.4454 7.9011 121.0069 55.0981 41.2064 174.1389 68 W 5.1724 8.6535 127.5209 57.7694 34.7829 172.7446 69 L 3.4925 6.8050 125.7812 53.3470 44.9182 175.4008 70 D 4.4597 7.6236 121.9673 53.9672 39.7934 175.4003 71 E 4.7644 7.3572 118.3095 54.1165 33.6774 174.9999 72 S 4.4909 8.4005 114.9684 59.1961 63.6834 173.4779 73 F 5.2709 8.3091 114.9348 56.1260 41.5348 173.1729 74 S 5.2724 9.6319 115.9756 57.1809 67.3676 173.0626 75 F 5.3802 8.5563 117.2456 56.0310 41.8296 172.6249 76 E 5.2414 9.5368 118.2604 54.5705 33.6392 174.9619 77 L 5.5367 9.0869 123.2774 53.1820 44.8798 175.7711 78 S 5.3758 9.3281 116.7290 57.4269 67.2304 172.6003 79 Q 4.5543 8.9164 120.9827 54.8578 32.4368 172.8824 80 E 5.0058 8.5566 125.0898 54.7076 32.0150 175.4262 81 V 4.4286 8.6752 122.5122 61.1095 35.4133 173.7537 82 E 5.2420 8.6376 125.8520 54.5922 31.5753 175.0653 83 L 4.5867 8.5481 123.3128 54.0065 44.4421 173.1008 84 P 4.5664 0.0000 0.0000 61.8247 31.9332 176.6069 85 A 4.2254 8.6440 124.3407 51.8598 18.8483 177.9725 86 G 3.8795 7.4063 108.4298 45.6199 0.0000 170.4665 87 V 4.8776 7.3422 118.7225 61.3734 33.6872 174.7176 88 Y 5.4183 9.1297 124.7607 56.1307 42.3670 174.4560 89 R 5.2657 9.3426 116.6695 54.6561 33.3582 174.4539 90 V 4.7735 8.6990 119.6850 61.6392 35.5345 174.4264 91 G 3.9641 7.8991 111.9651 46.8797 0.0000 171.0890 92 F 5.4797 7.5365 113.3908 56.7906 41.5887 172.7708 93 W 5.2375 9.2246 117.9854 55.4803 32.4681 175.0588 94 T 5.9893 9.7125 116.8274 61.9607 70.9547 171.8766 95 H 5.0090 8.4279 121.0076 54.1317 32.6947 172.9689 96 G 2.7538 8.1336 106.9051 46.3873 0.0000 173.6134 *97 E 3.8421 6.3798 113.2677 54.9582 31.3075 172.4479 98 K 3.9367 8.1977 121.5801 58.3955 32.4297 176.9898 99 G 3.9200 8.8935 115.1246 44.7806 0.0000 173.4001 100 V 3.6812 7.2426 120.8639 62.8176 32.9743 174.8717 101 K 4.6358 8.5286 127.2920 55.2329 33.7042 175.5490 102 I 5.0791 8.8473 126.0521 59.3134 40.6871 174.5317 103 A 5.1943 8.9700 127.8020 50.0004 22.5195 174.2746 104 L 5.2037 8.9519 123.8152 53.4476 44.5132 175.4406 105 K 5.2407 9.3187 124.7960 54.8036 36.6428 175.5937 106 V 5.1361 8.8916 117.2965 59.9149 35.2276 174.8246 107 S 4.8167 8.9518 117.3133 58.4039 66.8099 174.3407 108 D 4.5214 8.7901 117.5214 54.7378 39.6180 173.7215 109 Y 5.3380 7.5585 114.6284 56.9561 38.8527 175.5560 110 G 3.2873 6.7544 112.3475 44.9214 0.0000 172.8459 111 G 4.1909 5.3800 107.7172 42.2344 0.0000 171.9490 112 N 4.5319 8.3813 116.0109 52.3413 39.2211 174.6535 113 E 4.3886 8.6277 120.8267 57.2984 30.2047 176.2103 114 R 4.9862 8.9819 124.9729 54.6447 33.4724 174.9274 115 S 5.3386 8.4578 115.7592 57.2508 66.4734 173.3964 116 V 4.5845 8.8295 119.3547 60.1758 34.7841 173.8544 117 E 5.2862 8.8265 122.1869 54.7469 32.0013 175.5074 118 V 4.6057 8.9601 122.0580 60.1953 35.5772 173.6870 119 E 5.8016 8.7929 120.2059 53.7665 32.3210 176.2602 120 T 4.2923 8.4526 113.6410 61.6513 70.5640 174.7789 121 T 4.7242 8.8260 110.1590 60.5041 70.1973 172.7058 122 G 4.3153 7.9151 107.7615 42.6498 0.0000 173.4822 123 W 4.8096 8.7667 130.7578 58.9241 30.8927 175.6558 124 L 2.7728 8.5946 123.4267 55.3363 38.4103 175.1483 125 E 4.3848 7.6116 120.3587 54.7890 28.0157 175.1844 126 W 4.7650 8.4613 122.5364 56.4712 30.3345 175.4423 127 K 4.6036 9.8121 123.4875 54.4163 34.7127 175.0334 128 N 5.2296 8.1117 120.5646 49.3588 38.0043 171.5995 129 P 4.2085 0.0000 0.0000 62.9301 32.8628 176.1204 130 E 5.0242 8.3288 121.7497 55.0461 33.0321 173.8685 131 I 4.6028 8.9111 126.2251 59.6546 40.4007 175.0205 132 R 4.8684 8.5429 124.7338 53.7532 33.6788 174.4462 133 N 4.1203 8.6828 115.5866 54.8646 37.6889 174.6517 134 I 3.9633 8.0291 119.4960 60.0161 38.7184 176.5518 135 K 4.6358 8.6209 130.2243 55.2343 32.2408 175.9575 136 V 4.2605 9.1357 129.1032 62.9642 31.6685 175.7270 137 E 4.7726 9.6089 128.1401 56.6521 30.9181 177.3717 138 T 4.1308 8.2622 107.8972 61.2046 69.9034 175.7272 139 G 4.3196 8.5514 110.4785 45.9381 0.0000 172.6570 140 R 5.1862 7.6639 116.9398 54.7189 35.0935 173.8749 141 I 4.8812 8.4727 119.4159 59.8700 42.2524 173.0025 142 K 4.9163 9.2133 129.8372 54.7009 34.8996 174.4688 143 I 4.9572 8.5901 128.4807 60.0832 39.4285 174.8159 144 T 5.1702 9.0882 123.2552 61.7235 72.5563 172.9223 145 V 4.9736 9.2179 126.3131 61.1352 34.0922 174.4165 146 S 5.1142 8.9854 122.7458 56.7072 66.1066 173.2564 147 V 4.4723 7.9213 120.6764 61.1095 35.0908 173.5757 148 E 4.7686 8.9560 127.9613 54.3599 32.7403 174.4005 149 G 3.7724 8.0680 113.4178 44.0985 0.0000 172.2109 150 R 4.6396 9.0211 121.0641 54.3567 32.2426 175.9893 151 A 4.1709 8.4063 123.2297 54.0953 18.5346 178.4349 152 G 4.2255 8.9702 111.0956 45.5260 0.0000 173.7287 153 D 4.9525 8.3787 120.3394 54.6023 42.2844 175.1956 154 W 5.3306 7.4935 116.2203 55.8995 31.7321 173.1024 155 G 3.7897 6.7854 106.6514 46.0976 0.0000 171.8090 156 F 5.4258 8.5890 117.6946 55.6341 43.2996 174.7166 157 I 5.4434 8.9959 122.5033 59.9740 40.5985 174.0845 158 D 5.1153 9.9521 124.9153 53.4518 45.1136 173.6094 159 D 4.6434 8.8776 117.4468 55.4348 39.0112 173.0232 160 F 4.8218 8.6528 117.8620 58.1860 39.9635 176.3837 161 Y 4.9618 8.5077 118.5312 55.6361 41.7428 173.7490 162 L 4.9866 9.1207 123.5317 53.6698 44.9365 174.7926 163 F 5.9237 9.3170 125.4300 55.5834 42.6165 174.9296 164 R 3.9458 9.0370 123.1264 55.9870 30.5145 176.0016 165 E 4.2548 8.8123 126.6364 55.6313 30.5196 177.0041 166 E 4.7439 8.7124 120.8474 56.7953 30.2220 177.1415 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 21 S 8.33 4.29 0.00 3.89 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 R 8.41 3.66 0.00 1.80 1.81 0.00 3.05 0.00 0.00 2.78 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 1.41 0.00 23 N 9.49 5.23 0.00 3.02 2.83 0.00 0.00 7.19 7.54 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 24 Y 9.09 4.32 0.00 3.13 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.92 4.33 0.00 1.83 1.51 1.06 0.50 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 26 K 8.63 4.12 0.00 1.66 1.65 0.00 1.82 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.44 7.81 27 N 8.67 4.14 0.00 2.91 2.85 0.00 0.00 6.81 7.71 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 28 P 0.00 4.63 0.00 2.66 2.57 0.00 3.72 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 2.17 2.06 0.00 29 G 7.76 4.54 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 30 F 7.49 3.96 0.00 3.46 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 E 7.74 4.30 0.00 2.18 2.08 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 2.58 2.50 0.00 32 T 7.60 3.83 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 33 G 7.73 3.41 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 0.00 34 E 7.64 4.75 0.00 1.98 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 2.34 2.40 0.00 35 F 8.81 4.62 0.00 3.28 3.42 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 0.00 36 S 8.35 4.50 0.00 3.92 3.88 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 37 P 0.00 4.78 0.00 2.09 2.06 0.00 3.73 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.83 0.00 38 W 8.29 4.51 0.00 3.63 3.33 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 39 R 9.35 4.57 0.00 1.86 1.81 0.00 3.06 0.00 0.00 3.10 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 40 V 8.16 4.77 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 0.61 0.00 0.00 -0.12 0.00 0.00 41 S 9.39 4.71 0.00 3.78 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 42 G 9.00 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 43 D 9.37 4.71 0.00 2.97 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 44 K 8.10 3.77 0.00 1.75 1.76 0.00 1.63 0.00 0.00 1.79 0.00 0.00 3.10 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.56 7.81 45 K 7.96 3.94 0.00 1.82 1.92 0.00 1.51 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.36 7.81 46 A 7.90 4.27 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 47 V 7.35 4.70 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 0.59 0.00 0.00 -0.59 0.00 0.00 48 K 9.06 4.92 0.00 1.68 1.61 0.00 1.72 0.00 0.00 1.59 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.40 7.81 49 V 7.87 4.39 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 -0.17 0.00 0.00 50 V 8.84 4.65 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 1.16 0.00 0.00 51 K 8.72 3.89 0.00 1.49 1.60 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.68 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.15 0.73 7.81 52 A 8.48 4.13 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 53 N 8.57 4.64 0.00 2.58 2.65 0.00 0.00 7.14 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 54 P 0.00 4.55 0.00 2.29 2.21 0.00 3.86 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 2.27 2.22 0.00 55 S 8.60 4.16 0.00 3.98 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 0.00 56 S 8.02 4.26 0.00 3.91 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 57 N 8.20 4.19 0.00 2.43 1.42 0.00 0.00 6.94 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 58 A 7.70 4.63 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 59 H 9.27 3.95 0.00 2.59 3.13 0.00 5.75 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 Q 7.93 4.42 0.00 2.23 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.60 0.00 0.00 0.00 0.00 0.00 2.55 2.50 0.00 61 G 8.46 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 0.00 0.00 0.00 62 E 9.26 4.53 0.00 1.74 1.66 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 2.19 2.28 0.00 63 Y 8.71 5.36 0.00 3.13 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 A 8.80 4.93 1.58 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 65 V 8.42 3.89 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 1.01 0.00 0.00 -0.38 0.00 0.00 66 N 9.27 4.99 0.00 2.63 2.45 0.00 0.00 6.42 7.26 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 67 F 7.90 5.45 0.00 3.14 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 W 8.65 5.17 0.00 3.31 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 69 L 6.81 3.49 0.00 1.16 1.42 0.66 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 70 D 7.62 4.46 0.00 2.74 2.57 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 71 E 7.36 4.76 0.00 1.88 1.83 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 2.17 2.20 0.00 72 S 8.40 4.49 0.00 3.87 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 F 8.31 5.27 0.00 3.18 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 74 S 9.63 5.27 0.00 3.73 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 75 F 8.56 5.38 0.00 3.23 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 76 E 9.54 5.24 0.00 1.91 1.86 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 2.18 2.20 0.00 77 L 9.09 5.54 0.00 1.62 1.69 0.92 0.64 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 78 S 9.33 5.38 0.00 3.95 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 79 Q 8.92 4.55 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.81 0.00 0.00 0.00 0.00 0.00 1.78 1.81 0.00 80 E 8.56 5.01 0.00 1.79 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 2.17 2.21 0.00 81 V 8.68 4.43 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 0.98 0.00 0.00 0.81 0.00 0.00 82 E 8.64 5.24 0.00 1.85 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.23 0.00 83 L 8.55 4.59 0.00 1.35 1.60 -0.20 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 84 P 0.00 4.57 0.00 2.15 2.09 0.00 3.64 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.17 0.00 85 A 8.64 4.23 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 86 G 7.41 3.88 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 0.00 0.00 0.00 87 V 7.34 4.88 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 1.11 0.00 0.00 0.93 0.00 0.00 88 Y 9.13 5.42 0.00 2.83 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 R 9.34 5.27 0.00 2.06 2.33 0.00 2.98 0.00 0.00 3.34 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.90 0.00 90 V 8.70 4.77 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 1.17 0.00 0.00 0.94 0.00 0.00 91 G 7.90 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 F 7.54 5.48 0.00 2.48 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 0.00 0.00 0.00 0.00 93 W 9.22 5.24 0.00 3.44 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 94 T 9.71 5.99 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 1.28 0.00 0.00 95 H 8.43 5.01 0.00 2.97 2.63 0.00 5.82 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 96 G 8.13 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 0.00 0.00 0.00 *97 E 6.38 3.84 0.00 1.16 1.34 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 2.32 2.22 0.00 98 K 8.20 3.94 0.00 1.71 1.77 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.44 7.81 99 G 8.89 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 0.00 100 V 7.24 3.68 2.15 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 1.05 0.00 0.00 0.99 0.00 0.00 101 K 8.53 4.64 0.00 1.67 1.64 0.00 1.57 0.00 0.00 1.58 0.00 0.00 2.75 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.34 1.49 7.81 102 I 8.85 5.08 1.92 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.78 1.15 0.00 0.00 103 A 8.97 5.19 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 0.00 104 L 8.95 5.20 0.00 2.08 1.62 1.21 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 105 K 9.32 5.24 0.00 1.72 1.66 0.00 1.67 0.00 0.00 1.83 0.00 0.00 2.83 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.37 1.43 7.81 106 V 8.89 5.14 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 0.83 0.00 0.00 0.83 0.00 0.00 107 S 8.95 4.82 0.00 3.90 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 0.00 108 D 8.79 4.52 0.00 2.81 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 0.00 109 Y 7.56 5.34 0.00 3.25 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 0.00 110 G 6.75 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 G 5.38 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 N 8.38 4.53 0.00 2.76 2.78 0.00 0.00 6.72 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 0.00 113 E 8.63 4.39 0.00 2.01 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 2.35 2.56 0.00 114 R 8.98 4.99 0.00 1.80 1.78 0.00 3.24 0.00 0.00 3.14 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.89 0.00 115 S 8.46 5.34 0.00 3.89 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 0.00 116 V 8.83 4.58 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 0.86 0.00 0.00 0.90 0.00 0.00 117 E 8.83 5.29 0.00 1.82 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 0.00 2.19 2.26 0.00 118 V 8.96 4.61 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 0.82 0.00 0.00 0.88 0.00 0.00 119 E 8.79 5.80 0.00 1.81 1.83 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 2.28 2.07 0.00 120 T 8.45 4.29 4.38 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 1.23 0.00 0.00 121 T 8.83 4.72 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 0.00 122 G 7.92 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 0.00 0.00 0.00 0.00 123 W 8.77 4.81 0.00 3.59 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 0.00 124 L 8.59 2.77 0.00 1.31 1.38 -0.30 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 125 E 7.61 4.38 0.00 2.09 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 2.31 2.43 0.00 126 W 8.46 4.77 0.00 3.39 3.58 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 0.00 127 K 9.81 4.60 0.00 1.56 1.60 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.52 1.49 7.81 128 N 8.11 5.23 0.00 1.44 1.95 0.00 0.00 7.36 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 0.00 129 P 0.00 4.21 0.00 1.81 1.89 0.00 3.22 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.13 0.00 130 E 8.33 5.02 0.00 1.87 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.58 0.00 131 I 8.91 4.60 1.85 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 1.22 0.65 0.87 0.00 0.00 132 R 8.54 4.87 0.00 1.68 2.03 0.00 3.39 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 133 N 8.68 4.12 0.00 2.84 2.85 0.00 0.00 7.17 8.09 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 0.00 134 I 8.03 3.96 1.89 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.59 0.26 0.00 0.00 135 K 8.62 4.64 0.00 1.83 1.88 0.00 1.82 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.49 7.81 136 V 9.14 4.26 2.38 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 0.92 0.00 0.00 0.83 0.00 0.00 137 E 9.61 4.77 0.00 1.83 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 2.29 2.46 0.00 138 T 8.26 4.13 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 1.15 0.00 0.00 139 G 8.55 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 0.00 0.00 0.00 0.00 140 R 7.66 5.19 0.00 1.87 1.72 0.00 3.12 0.00 0.00 3.07 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.71 0.00 141 I 8.47 4.88 1.77 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 1.09 1.61 0.73 0.00 0.00 142 K 9.21 4.92 0.00 1.80 1.62 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.32 1.34 7.81 143 I 8.59 4.96 1.84 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 1.14 0.78 1.11 0.00 0.00 144 T 9.09 5.17 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 145 V 9.22 4.97 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 1.05 0.00 0.00 0.90 0.00 0.00 146 S 8.99 5.11 0.00 3.77 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 0.00 147 V 7.92 4.47 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 0.00 0.00 -0.03 0.00 0.00 0.33 0.00 0.00 148 E 8.96 4.77 0.00 1.85 1.54 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 1.98 2.04 0.00 149 G 8.07 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 R 9.02 4.64 0.00 1.83 1.85 0.00 3.11 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.49 0.00 151 A 8.41 4.17 1.26 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 0.00 0.00 0.00 152 G 8.97 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 0.00 0.00 0.00 0.00 153 D 8.38 4.95 0.00 2.97 2.83 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 0.00 154 W 7.49 5.33 0.00 3.39 3.42 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 0.00 155 G 6.79 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 F 8.59 5.43 0.00 2.83 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 I 9.00 5.44 2.03 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.37 0.92 0.00 0.00 158 D 9.95 5.12 0.00 3.14 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 0.00 159 D 8.88 4.64 0.00 3.15 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 F 8.65 4.82 0.00 3.34 3.15 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 0.00 161 Y 8.51 4.96 0.00 1.56 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 0.00 162 L 9.12 4.99 0.00 1.79 1.65 0.95 0.66 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 0.00 163 F 9.32 5.92 0.00 3.21 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 0.00 164 R 9.04 3.95 0.00 1.62 1.89 0.00 2.30 0.00 0.00 2.67 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.47 0.00 165 E 8.81 4.25 0.00 1.92 1.86 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 2.41 2.34 0.00 166 E 8.71 4.74 0.00 2.03 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 2.07 1.99 0.00 * Residues marked with a * may have inaccurate shift predictions.