NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 T 4.5106 8.1749 117.3806 63.5182 69.9273 172.7715 7 V 4.3342 8.6767 116.4077 59.0180 35.0938 174.2935 8 A 4.3616 8.7384 127.1242 51.1272 20.6534 177.1243 9 A 4.2919 8.0133 122.8929 52.2667 19.3036 176.2747 10 Y 4.7404 7.9573 117.3669 55.7862 42.1677 174.2970 11 N 4.2936 8.8692 114.1268 54.3880 36.0018 174.6743 12 L 4.7985 7.6493 116.3564 55.0148 42.8796 178.4847 13 T 4.8215 9.1363 120.1610 61.4869 73.1450 172.7656 14 W 4.8224 8.8055 122.9626 54.9318 31.2608 175.3243 15 K 4.6255 9.2835 125.1301 54.6555 34.0621 175.4393 16 S 5.6701 8.3592 118.6851 57.0365 66.2797 172.6675 17 T 4.9502 8.3886 121.8596 62.9489 73.1569 173.5763 18 N 4.2806 10.2816 122.5113 54.3552 36.9691 176.1356 19 F 4.0059 7.6684 114.6088 57.2811 38.0862 175.1559 20 K 4.2886 8.4455 123.9105 56.7597 33.0201 175.6084 21 T 5.2177 9.1539 125.2731 61.9391 71.2907 173.5113 22 I 4.9868 8.9360 127.0536 59.3026 41.3732 174.2295 23 L 4.8266 8.4457 126.3120 53.3888 44.8444 175.0279 24 E 5.0424 8.8469 123.3282 54.9193 34.3612 174.6205 25 W 5.4180 7.5550 117.2360 56.9696 31.3279 172.6428 26 E 4.5982 8.7941 118.4144 54.1030 33.7770 173.8963 27 P 4.6389 0.0000 0.0000 61.7861 33.7998 175.0740 28 K 4.3734 8.4253 119.1777 54.9296 32.9069 174.8566 29 P 4.4769 0.0000 0.0000 61.8982 32.3064 175.7321 30 V 4.0881 8.1939 121.9691 61.7788 31.9826 174.4493 31 N 4.2719 8.7528 126.8876 53.7810 35.9350 173.8414 32 Q 5.0966 7.7353 112.8300 55.2778 32.2541 173.5456 33 V 4.5838 9.1668 112.6075 59.9205 36.5074 174.0939 34 Y 6.2535 9.0756 118.3846 55.9714 42.2198 175.1479 35 T 5.3162 8.5176 116.3182 61.0939 73.3876 173.0257 36 V 4.7533 8.2373 124.0721 61.2981 34.9080 174.3341 37 Q 5.2264 9.0601 123.7645 54.3032 33.1122 174.0839 38 I 5.5292 9.0620 122.5153 59.8480 42.4075 174.0785 39 S 4.8928 8.9854 120.7395 57.9028 66.9601 172.2139 40 T 4.6380 7.8576 109.3887 59.4571 71.3623 175.4077 41 K 3.8060 7.7888 121.3979 59.0130 31.9743 178.6686 42 S 4.6235 7.7494 111.8149 57.8880 63.3593 173.6075 43 G 4.3257 7.1459 107.6778 43.7355 0.0000 173.4697 44 D 4.6350 8.1748 119.0577 53.6446 42.0243 176.0689 45 W 4.9323 8.7247 120.2973 55.8909 30.4435 175.7771 46 K 4.7485 9.1187 125.8369 54.9310 34.0704 175.2743 47 S 5.2021 8.7385 122.2852 57.8050 65.0473 173.0645 48 K 3.8515 8.7106 120.9772 55.0023 37.2039 175.6367 49 C 4.4715 8.1447 114.1348 58.1519 37.0300 173.3106 50 F 3.7828 7.6044 119.9423 59.5444 39.9326 176.3685 51 Y 3.9159 7.3648 124.0010 59.3580 35.5583 170.7817 52 T 4.5429 8.2879 118.1669 61.2888 69.4909 174.4009 53 T 4.5022 8.1467 111.2591 61.3176 70.1338 174.2466 54 D 4.6115 8.3449 122.8975 54.8607 41.5877 175.4381 55 T 3.4526 7.6409 108.9597 60.1610 69.1171 172.9966 56 E 4.5874 7.0671 117.1069 56.6980 33.0573 174.8132 57 C 4.8749 9.1361 120.6801 55.4249 47.6321 172.1572 58 D 4.9103 8.8614 126.5734 53.4374 41.7350 175.6105 59 L 4.7743 8.7159 125.9967 54.9889 42.5534 178.8134 60 T 3.9445 8.1368 116.9804 67.1205 68.1476 175.5948 61 D 4.4589 8.2159 118.9898 57.8523 41.1177 179.0595 62 E 4.1679 8.1199 118.3144 59.4037 29.6278 179.1257 63 I 3.0417 7.3078 111.4100 63.7038 37.4704 177.6341 64 V 3.9315 7.6451 111.4701 61.6430 31.3869 177.9152 65 K 4.3574 8.0542 119.9348 58.1505 33.1471 177.2280 66 D 4.6873 7.9402 121.9018 51.7737 41.6205 175.9721 67 V 3.9979 8.1113 118.4605 63.1747 31.9132 177.7624 68 K 4.3794 7.7910 118.1918 56.3052 32.0207 176.3019 69 Q 4.2996 7.9153 119.8834 55.2148 30.2167 174.5516 70 T 4.6055 7.8237 116.0891 62.2937 71.0621 173.5871 71 Y 5.0088 9.0628 124.7799 56.5790 40.8818 174.5842 72 L 5.4658 8.8179 121.9023 53.6681 46.2288 174.9914 73 A 5.7342 9.4445 125.1294 50.6589 23.2790 174.9395 74 R 4.8338 8.9448 114.4359 54.6507 33.7581 174.0311 75 V 4.3409 8.0360 119.6484 61.0408 34.2389 174.4282 76 F 5.1459 9.3059 126.2735 55.8911 41.8534 174.7003 77 S 5.3661 8.5955 117.2318 57.1325 65.6247 173.4022 78 Y 5.0564 8.9547 121.1658 55.1835 42.1194 173.2907 79 P 4.8262 0.0000 0.0000 63.1250 32.5811 175.4174 80 A 3.9694 8.4529 123.3871 52.9887 18.9257 176.6486 81 G 4.1163 9.2005 115.5961 44.9495 0.0000 174.4005 82 N 4.6069 7.6269 120.6866 51.5378 37.4923 175.6367 83 V 3.8537 7.4481 117.7496 61.5597 31.9056 177.2794 84 E 4.6679 8.3711 117.2284 56.4992 30.2831 176.1283 85 S 4.2967 8.0351 114.4881 58.6300 62.7065 173.2407 86 T 4.7820 8.3044 119.8956 60.4706 70.6901 172.7272 87 G 4.1147 8.5781 114.2508 43.5517 0.0000 174.8982 88 S 3.9848 8.4598 114.3045 61.4085 62.6213 175.7562 89 A 4.6049 8.0371 122.2030 53.1881 19.3205 176.8848 90 G 4.7364 8.0466 105.6330 47.4953 0.0000 173.8990 91 E 4.8363 7.5461 116.2868 53.3762 33.6227 173.9304 92 P 4.7906 0.0000 0.0000 61.7809 32.4380 176.2626 93 L 4.2649 8.4061 124.2425 55.7992 43.1459 175.4156 94 Y 5.4970 7.7860 122.4874 56.4199 41.3787 172.9842 95 E 4.3559 8.1196 117.6733 55.0955 33.0540 173.7745 96 N 5.3781 8.5908 122.3939 52.4661 40.6711 174.8466 97 S 4.7286 8.7418 116.9294 56.4690 65.6203 171.8826 98 P 4.7169 0.0000 0.0000 62.2039 31.8880 176.0337 99 E 4.6848 8.4734 119.1544 56.6330 30.7651 176.4638 100 F 4.4630 8.7328 123.3420 57.3143 43.0923 173.3049 101 T 4.5555 8.0277 123.3235 60.0630 69.0510 173.1166 102 P 3.4714 0.0000 0.0000 65.5966 31.5615 178.1745 103 Y 4.3430 8.3168 118.7730 60.1024 38.7135 177.7638 104 L 4.6458 8.1013 117.1919 54.4676 43.3788 176.6149 105 E 4.5593 7.5480 114.7430 55.7802 31.4103 175.8242 106 T 4.3196 7.9004 114.1186 62.1564 68.4064 173.1046 107 N 4.8608 8.5668 122.4746 52.1245 40.8697 174.9248 108 L 4.4121 8.2966 121.7647 53.8657 43.8087 174.6458 109 G 3.7930 8.6873 105.5446 46.8175 0.0000 172.5772 *129 D 4.4695 7.6984 118.0803 53.3242 42.5326 175.0210 130 E 4.9940 8.5011 122.1528 54.4686 34.0502 174.9334 131 R 5.0344 8.5816 118.1372 55.4338 31.3137 175.0970 132 T 4.8240 8.9654 110.5611 59.6977 72.5158 174.1701 133 L 4.7457 8.9816 119.6629 55.0476 41.8349 177.4440 134 V 3.9001 7.5953 119.7144 62.2903 32.1041 175.2212 135 R 5.4935 8.2193 124.2111 53.4713 33.5372 174.7200 136 R 4.3307 7.7476 119.4933 55.5447 33.7714 175.8831 137 N 3.6880 8.5797 119.6222 55.1847 36.3520 174.4604 138 N 4.3910 7.8119 117.7637 53.8091 38.2812 174.9648 139 T 4.2399 7.7884 113.0306 60.7592 69.1621 172.5597 140 F 5.2106 8.3375 120.5870 55.9912 41.3290 175.7243 141 L 4.8550 9.1024 121.9240 53.4688 44.7152 175.3585 142 S 5.1912 8.7125 114.2659 56.5594 65.7249 175.1098 143 L 4.0852 8.8769 123.0037 58.8294 41.6698 179.4470 144 R 4.1689 8.0834 117.6496 59.0623 30.1179 177.7026 145 D 4.4135 8.2861 117.5681 56.1075 40.7834 177.8149 146 V 3.9549 7.6225 117.3592 64.2479 32.8096 176.6342 147 F 5.0576 7.6644 116.7348 54.8320 39.3904 178.8852 148 G 3.7912 8.8757 108.5727 46.5070 0.0000 175.6584 149 K 4.5092 9.1128 122.2599 56.4685 32.1785 176.5262 150 D 4.7058 8.7719 118.6952 54.0644 41.3812 175.2555 151 L 4.9651 7.3547 122.2859 53.1300 43.7413 175.3080 152 I 4.6032 8.6006 119.0982 59.4119 41.8187 172.9777 153 Y 5.2099 8.2720 118.5008 56.8926 42.2594 174.1219 154 T 4.8478 8.9641 115.6903 62.0474 73.4958 173.5172 155 L 4.6954 8.1261 123.0557 53.6185 44.3329 175.2596 *188 S 4.2308 8.4324 119.7193 57.9485 63.5521 172.9443 189 V 4.7757 7.7634 115.6035 60.6034 32.9261 175.2540 190 Q 5.2325 8.8433 122.7015 53.5764 33.2297 172.9694 191 A 5.1717 9.3608 126.2571 50.3050 21.7461 175.9885 192 V 4.7040 8.6335 121.1069 61.1734 34.3042 174.6661 193 I 5.4421 8.9692 126.9236 57.7183 38.9723 174.4101 194 P 4.3740 0.0000 0.0000 65.0296 31.7431 177.1148 195 S 4.5358 7.1501 114.8574 59.1488 62.7969 173.7206 196 R 4.7607 7.6762 117.2259 54.8107 34.1020 175.3283 197 T 4.3042 8.5430 107.7229 62.8820 70.1360 174.7696 198 V 4.1503 7.1895 112.4770 59.4578 35.0817 175.9503 199 N 3.9888 8.1195 115.3071 54.3595 35.1918 174.8709 200 R 4.1536 7.3995 122.0342 57.5299 32.1098 178.2249 201 K 5.0222 7.9159 116.7543 54.2966 34.9326 177.1553 202 S 4.6111 8.7967 121.8475 59.1559 65.2655 171.4534 203 T 4.7337 8.2465 112.8383 60.5494 69.5451 172.5107 204 D 5.8249 8.6922 118.4949 51.8442 44.6241 175.9359 205 S 4.3441 8.4381 113.4568 58.6226 63.1397 173.9884 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 T 8.17 4.51 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 1.34 0.00 0.00 7 V 8.68 4.33 2.18 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 0.72 0.00 0.00 1.07 0.00 0.00 8 A 8.74 4.36 1.17 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 9 A 8.01 4.29 0.75 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 10 Y 7.96 4.74 0.00 3.06 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 11 N 8.87 4.29 0.00 2.97 2.93 0.00 0.00 6.84 6.74 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 12 L 7.65 4.80 0.00 1.47 1.46 0.82 0.71 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 13 T 9.14 4.82 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 1.25 0.00 0.00 14 W 8.81 4.82 0.00 2.79 2.42 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 15 K 9.28 4.63 0.00 1.58 1.69 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.78 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.32 1.72 7.81 16 S 8.36 5.67 0.00 3.80 3.72 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 17 T 8.39 4.95 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 18 N 10.28 4.28 0.00 2.91 2.94 0.00 0.00 6.85 8.17 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 19 F 7.67 4.01 0.00 3.43 3.37 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.45 4.29 0.00 1.94 1.86 0.00 1.54 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.52 7.81 21 T 9.15 5.22 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 1.38 0.00 0.00 22 I 8.94 4.99 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 1.28 0.87 0.91 0.00 0.00 23 L 8.45 4.83 0.00 0.99 1.31 -0.23 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 24 E 8.85 5.04 0.00 1.80 1.56 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 2.06 2.12 0.00 25 W 7.56 5.42 0.00 3.04 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.79 4.60 0.00 1.16 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 2.04 2.06 0.00 27 P 0.00 4.64 0.00 2.13 2.13 0.00 3.82 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.13 0.00 28 K 8.43 4.37 0.00 1.74 1.79 0.00 1.50 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.44 7.81 29 P 0.00 4.48 0.00 2.16 1.61 0.00 3.74 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.94 0.00 30 V 8.19 4.09 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 0.87 0.00 0.00 0.95 0.00 0.00 31 N 8.75 4.27 0.00 3.03 2.87 0.00 0.00 6.55 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 7.74 5.10 0.00 2.15 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.79 6.81 0.00 0.00 0.00 0.00 0.00 2.16 2.07 0.00 33 V 9.17 4.58 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 0.74 0.00 0.00 1.20 0.00 0.00 34 Y 9.08 6.25 0.00 3.12 2.71 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 35 T 8.52 5.32 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 36 V 8.24 4.75 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 0.81 0.00 0.00 0.60 0.00 0.00 37 Q 9.06 5.23 0.00 2.08 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.50 0.00 0.00 0.00 0.00 0.00 2.50 2.38 0.00 38 I 9.06 5.53 2.05 0.00 0.00 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 1.62 1.99 1.05 0.00 0.00 39 S 8.99 4.89 0.00 3.28 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 T 7.86 4.64 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 41 K 7.79 3.81 0.00 1.83 1.85 0.00 1.62 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.51 1.45 7.81 42 S 7.75 4.62 0.00 3.86 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 43 G 7.15 4.33 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 0.00 44 D 8.17 4.64 0.00 2.61 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 45 W 8.72 4.93 0.00 3.12 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 46 K 9.12 4.75 0.00 1.93 1.75 0.00 1.70 0.00 0.00 1.84 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.49 7.81 47 S 8.74 5.20 0.00 4.01 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 K 8.71 3.85 0.00 1.44 1.55 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.84 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.56 7.81 49 C 8.14 4.47 0.00 3.07 3.30 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 50 F 7.60 3.78 0.00 3.07 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 51 Y 7.36 3.92 0.00 3.13 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.29 4.54 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 53 T 8.15 4.50 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 1.21 0.00 0.00 54 D 8.34 4.61 0.00 2.69 2.53 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 55 T 7.64 3.45 3.55 0.00 0.00 0.00 0.00 0.00 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 56 E 7.07 4.59 0.00 1.83 1.59 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 1.98 2.19 0.00 57 C 9.14 4.87 0.00 3.30 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 58 D 8.86 4.91 0.00 2.73 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 8.72 4.77 0.00 1.84 1.71 0.77 0.78 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 60 T 8.14 3.94 4.33 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 1.40 0.00 0.00 61 D 8.22 4.46 0.00 2.68 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 62 E 8.12 4.17 0.00 1.98 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 2.45 2.37 0.00 63 I 7.31 3.04 1.63 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.78 0.55 0.00 0.00 64 V 7.65 3.93 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 0.95 0.00 0.00 1.02 0.00 0.00 65 K 8.05 4.36 0.00 1.96 1.90 0.00 1.78 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.49 1.70 7.81 66 D 7.94 4.69 0.00 2.58 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 67 V 8.11 4.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.00 0.00 0.84 0.00 0.00 68 K 7.79 4.38 0.00 1.66 1.66 0.00 1.41 0.00 0.00 1.28 0.00 0.00 2.13 0.00 0.00 2.50 0.00 0.00 0.00 0.00 1.00 1.16 7.81 69 Q 7.92 4.30 0.00 1.38 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.53 6.75 0.00 0.00 0.00 0.00 0.00 2.45 2.24 0.00 70 T 7.82 4.61 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 1.19 0.00 0.00 71 Y 9.06 5.01 0.00 2.89 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 72 L 8.82 5.47 0.00 1.76 1.57 1.27 1.32 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 73 A 9.44 5.73 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 74 R 8.94 4.83 0.00 1.42 2.02 0.00 2.21 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.05 0.00 75 V 8.04 4.34 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 -0.39 0.00 0.00 -0.16 0.00 0.00 76 F 9.31 5.15 0.00 2.54 2.42 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 77 S 8.60 5.37 0.00 3.73 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 0.00 78 Y 8.95 5.06 0.00 2.84 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 79 P 0.00 4.83 0.00 2.14 2.22 0.00 3.84 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.04 0.00 80 A 8.45 3.97 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 81 G 9.20 4.12 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 0.00 0.00 0.00 82 N 7.63 4.61 0.00 2.76 2.74 0.00 0.00 7.14 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 83 V 7.45 3.85 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 0.14 0.00 0.00 0.33 0.00 0.00 84 E 8.37 4.67 0.00 2.04 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 2.16 2.30 0.00 85 S 8.04 4.30 0.00 4.09 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 86 T 8.30 4.78 4.45 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 1.25 0.00 0.00 87 G 8.58 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 88 S 8.46 3.98 0.00 3.89 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 89 A 8.04 4.60 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 90 G 8.05 4.74 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 0.00 0.00 0.00 91 E 7.55 4.84 0.00 2.08 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 0.00 2.24 2.51 0.00 92 P 0.00 4.79 0.00 2.21 2.09 0.00 3.82 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 1.94 2.15 0.00 93 L 8.41 4.26 0.00 1.78 1.54 0.85 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 94 Y 7.79 5.50 0.00 2.18 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 95 E 8.12 4.36 0.00 1.86 1.55 0.00 0.00 0.00 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 2.30 0.00 96 N 8.59 5.38 0.00 2.69 2.83 0.00 0.00 6.92 7.57 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 97 S 8.74 4.73 0.00 3.96 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 98 P 0.00 4.72 0.00 2.32 2.18 0.00 4.12 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 2.24 2.24 0.00 99 E 8.47 4.68 0.00 1.88 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 0.00 2.37 2.38 0.00 100 F 8.73 4.46 0.00 1.51 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 0.00 101 T 8.03 4.56 4.14 0.00 0.00 0.00 0.00 0.00 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 0.00 102 P 0.00 3.47 0.00 2.58 2.47 0.00 3.98 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 2.28 2.12 0.00 103 Y 8.32 4.34 0.00 3.27 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 0.00 104 L 8.10 4.65 0.00 1.57 1.65 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 105 E 7.55 4.56 0.00 1.58 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 2.17 2.13 0.00 106 T 7.90 4.32 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 107 N 8.57 4.86 0.00 2.82 2.67 0.00 0.00 7.27 6.89 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 0.00 108 L 8.30 4.41 0.00 1.42 1.54 0.56 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 109 G 8.69 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 *129 D 7.70 4.47 0.00 2.73 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 0.00 130 E 8.50 4.99 0.00 1.95 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 2.31 2.30 0.00 131 R 8.58 5.03 0.00 1.75 1.93 0.00 2.81 0.00 0.00 2.89 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.54 0.00 132 T 8.97 4.82 4.60 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 133 L 8.98 4.75 0.00 1.89 1.95 1.04 1.29 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 0.00 134 V 7.60 3.90 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 0.68 0.00 0.00 0.15 0.00 0.00 135 R 8.22 5.49 0.00 1.62 1.58 0.00 2.74 0.00 0.00 2.25 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.41 0.00 136 R 7.75 4.33 0.00 1.74 1.67 0.00 3.15 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 137 N 8.58 3.69 0.00 2.74 3.02 0.00 0.00 7.12 7.79 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 0.00 138 N 7.81 4.39 0.00 2.86 2.94 0.00 0.00 7.11 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 0.00 139 T 7.79 4.24 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 1.22 0.00 0.00 140 F 8.34 5.21 0.00 2.99 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 0.00 141 L 9.10 4.86 0.00 1.53 1.57 0.85 0.80 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 0.00 142 S 8.71 5.19 0.00 4.02 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 L 8.88 4.09 0.00 1.93 1.94 1.16 1.39 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 0.00 144 R 8.08 4.17 0.00 2.08 1.98 0.00 3.47 0.00 0.00 3.46 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.85 0.00 145 D 8.29 4.41 0.00 2.84 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 0.00 146 V 7.62 3.95 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 0.27 0.00 0.00 0.84 0.00 0.00 147 F 7.66 5.06 0.00 3.27 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 0.00 148 G 8.88 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 0.00 149 K 9.11 4.51 0.00 1.79 1.85 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.42 7.81 150 D 8.77 4.71 0.00 2.92 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 0.00 151 L 7.35 4.97 0.00 1.72 1.50 0.55 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 152 I 8.60 4.60 1.81 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.70 0.85 0.00 0.00 153 Y 8.27 5.21 0.00 2.86 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 T 8.96 4.85 4.35 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 1.22 0.00 0.00 155 L 8.13 4.70 0.00 1.53 1.50 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 *188 S 8.43 4.23 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 0.00 189 V 7.76 4.78 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 0.67 0.00 0.00 0.88 0.00 0.00 190 Q 8.84 5.23 0.00 2.26 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.88 0.00 0.00 0.00 0.00 0.00 2.31 2.46 0.00 191 A 9.36 5.17 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 0.00 192 V 8.63 4.70 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 0.90 0.00 0.00 0.89 0.00 0.00 193 I 8.97 5.44 1.56 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 0.69 -0.09 0.72 0.00 0.00 194 P 0.00 4.37 0.00 2.14 2.13 0.00 3.88 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.94 0.00 195 S 7.15 4.54 0.00 4.08 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 0.00 196 R 7.68 4.76 0.00 1.83 1.92 0.00 3.01 0.00 0.00 3.41 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.43 0.00 197 T 8.54 4.30 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 0.00 198 V 7.19 4.15 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 0.77 0.00 0.00 0.95 0.00 0.00 199 N 8.12 3.99 0.00 2.73 3.06 0.00 0.00 6.89 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 0.00 200 R 7.40 4.15 0.00 1.70 2.08 0.00 3.23 0.00 0.00 3.31 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.61 0.00 201 K 7.92 5.02 0.00 1.56 1.65 0.00 1.71 0.00 0.00 1.97 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.28 1.35 7.81 202 S 8.80 4.61 0.00 3.80 3.72 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 0.00 203 T 8.25 4.73 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 1.21 0.00 0.00 204 D 8.69 5.82 0.00 2.65 2.54 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 0.00 205 S 8.44 4.34 0.00 3.92 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 * Residues marked with a * may have inaccurate shift predictions.