NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 A 4.3070 8.2493 123.5773 51.5868 18.7403 174.7052 9 P 4.6320 0.0000 0.0000 60.7613 33.3144 169.8953 10 V 3.9898 8.3751 123.9807 62.2495 33.3221 175.3613 11 E 5.1241 8.7167 127.8236 54.3702 32.4141 174.8493 12 V 4.7364 9.1869 126.2984 61.3948 34.9167 174.2283 13 T 5.0183 9.0763 116.3590 59.4005 72.0384 172.4526 14 Y 5.2834 7.7435 134.7376 57.9202 41.2637 171.3251 15 K 4.1571 8.0946 126.4411 57.2076 34.5205 177.0946 16 N 4.4954 7.4071 115.1991 51.9114 37.3859 175.5578 *18 R 4.0340 7.6653 118.1926 57.3864 31.7876 174.3200 19 F 5.5018 9.7317 126.3736 55.6738 42.6702 174.7289 20 L 5.0518 8.8368 123.0237 53.5633 44.9829 175.1941 21 I 5.3965 8.9986 128.6401 59.6238 38.6963 175.5191 22 T 5.0666 8.5106 117.2493 59.9063 71.8506 173.1745 23 H 4.5441 8.5572 117.7872 54.3446 30.0532 174.2226 24 N 4.2216 8.2587 118.4656 51.3789 38.1003 173.0026 25 P 3.9699 0.0000 0.0000 62.7109 31.8820 175.3755 26 T 4.5912 7.2479 105.9710 59.8627 72.9604 174.1716 27 N 4.3792 8.6356 118.1130 56.2490 38.5826 177.2552 28 A 4.1875 7.9761 121.3008 54.0681 18.9254 178.4517 29 T 4.4102 7.8273 106.3566 61.6067 69.3706 176.2325 30 L 3.9582 7.6204 123.1516 58.2629 41.6004 178.7041 31 N 4.3091 8.1684 116.2422 56.8941 39.0903 176.9622 32 K 4.3794 7.9931 120.5056 58.4828 32.2065 179.0757 33 F 4.1920 8.3299 121.3179 61.4746 39.3584 177.3357 34 I 3.7055 8.4682 119.8153 64.2268 36.2947 178.3500 35 E 3.9559 8.0585 119.3155 59.1762 29.0494 178.9439 36 E 3.8992 7.7714 117.9615 59.2009 30.0437 178.3590 37 L 4.0847 7.5565 118.9320 57.9510 41.7218 179.4138 38 K 3.8330 7.9451 118.0481 59.9130 31.8578 179.4685 39 K 3.9554 7.8380 116.8722 59.3076 32.0080 178.2174 40 Y 4.3509 7.7906 114.6051 57.7211 38.4775 175.6098 41 G 3.7930 8.2736 108.8152 46.4258 0.0000 173.3713 42 V 5.0769 8.1552 118.7782 61.5089 32.4535 175.2677 43 T 4.5375 8.4255 116.1361 62.4049 71.4094 173.9861 44 T 5.1394 7.6763 116.3719 60.5206 71.0993 172.1460 45 I 4.9384 9.3459 128.5893 59.1960 41.8932 174.4176 46 V 4.5174 8.5661 127.4448 61.0823 33.7686 174.3435 47 R 4.3895 8.5303 130.3348 55.6745 30.8846 176.5231 48 V 4.4832 8.3963 126.0739 63.1054 32.7648 174.3412 49 C 5.2434 7.4039 114.0082 56.5215 32.7778 172.9485 50 E 3.8973 8.6562 116.5583 56.1844 29.5497 176.3562 51 A 3.8991 8.5197 126.6132 52.6637 18.6083 176.8592 52 T 4.6403 8.1786 111.6168 60.9842 69.7728 172.7582 53 Y 4.6766 7.1688 117.7959 56.5811 40.3472 172.8513 54 D 4.6652 8.6633 120.7619 53.2874 42.2127 177.1960 55 T 4.3467 8.3237 117.0215 63.6358 69.2466 176.5565 56 T 3.8535 8.2105 113.7243 65.1918 68.3605 175.9284 57 L 4.0374 7.9291 122.3139 57.5618 42.0178 179.0401 58 V 3.6704 7.9610 118.6173 66.0110 31.6776 177.8322 59 E 4.7257 8.1240 119.2239 58.9033 29.0905 179.1464 60 K 4.0444 7.9661 118.7993 59.1824 32.3315 177.8488 61 E 4.3556 7.7386 116.3734 56.4863 29.5820 177.3846 62 G 4.0101 7.9795 107.5283 44.8167 0.0000 173.3755 63 I 4.5680 7.5805 121.1028 59.8073 39.5533 174.1680 64 H 4.9457 9.2273 127.2956 55.1114 31.4109 173.7738 65 V 4.7607 8.1361 125.1635 61.3530 33.4141 174.9604 66 L 4.4262 8.5332 126.7059 53.1443 44.5662 175.6036 67 D 4.9195 8.7739 125.2436 52.1619 40.1811 176.8934 68 W 5.3595 8.0863 127.5568 54.8774 28.0686 174.2394 69 P 5.1829 0.0000 0.0000 62.8433 32.0452 177.3754 70 F 5.0560 8.1658 115.0269 55.3152 40.6788 173.4758 71 D 4.2956 9.0921 119.1981 54.7248 41.1948 176.2447 72 D 4.3011 8.4937 123.1329 55.6515 41.8119 174.9126 73 G 4.3172 9.0538 117.7111 45.7019 0.0000 174.0452 74 A 4.1814 7.0487 121.1385 50.7071 18.9795 175.5132 75 P 4.0391 0.0000 0.0000 61.3025 32.1632 174.7854 76 P 3.2179 0.0000 0.0000 61.9774 31.8936 176.8721 77 S 4.3042 7.9116 115.4538 58.0804 65.0889 175.0219 78 N 4.3411 8.5761 119.3475 56.4835 38.1142 177.5505 79 Q 3.8822 7.9324 118.8359 59.0145 28.8356 178.8449 80 I 3.2299 7.3107 119.9563 64.2401 37.1432 178.3485 81 V 3.6780 7.6229 118.9423 66.4282 31.2828 177.7044 82 D 4.4042 8.4362 118.5721 57.6520 40.6346 178.6912 83 D 4.2798 8.1692 119.5886 56.9305 40.6856 178.6216 84 W 4.7456 8.6339 129.3900 60.7968 30.8182 178.1237 85 L 3.9443 8.4225 118.9709 57.4056 40.9849 179.5428 86 S 4.0621 7.9976 113.4046 61.2646 62.3348 175.8327 87 L 3.9134 8.3215 123.5012 58.0570 41.3819 178.9868 88 V 3.3193 7.4469 118.0256 65.9638 31.6595 177.8022 89 K 3.9661 8.0312 119.2152 59.5727 31.9039 178.7441 90 I 3.7166 7.7177 119.9238 64.0414 37.1849 177.8123 91 K 3.6254 8.0071 120.6784 59.9063 32.0705 178.6969 92 F 4.3108 7.3160 116.3804 59.6246 38.4571 177.7269 93 R 4.0566 7.0442 116.0506 59.3092 30.1591 177.7617 94 E 4.2112 8.3138 117.3127 58.0830 31.1698 177.2543 95 E 4.5948 8.3065 119.8304 52.5884 29.4898 172.0173 96 P 4.5685 0.0000 0.0000 63.2510 32.1806 177.1023 97 G 3.9179 9.0630 110.4107 45.4207 0.0000 173.0103 98 C 4.5562 7.5630 114.3189 57.2977 31.6150 172.0427 99 C 5.3787 8.4138 117.9549 57.0459 34.9819 172.6498 100 I 4.8727 8.5283 125.8669 59.6887 39.1240 174.6125 101 A 5.0262 8.5698 129.0710 51.4840 20.4455 176.2648 102 V 5.1316 8.9654 120.4403 61.7266 35.8353 173.9218 103 H 5.1658 8.7783 120.1470 54.2771 31.5492 172.4431 104 S 4.8285 8.7216 115.8191 58.8597 63.4149 175.6264 105 V 3.8139 8.5214 115.2965 64.4582 31.9699 176.7860 106 A 4.2528 7.8951 120.0259 51.9326 19.6179 178.0471 107 G 3.8976 8.2774 102.5650 45.7065 0.0000 173.9933 108 L 4.4083 7.8145 118.5549 53.9729 44.0887 176.7991 109 G 3.7979 7.7788 104.4027 45.2092 0.0000 174.9606 110 R 3.9178 8.9702 118.7573 59.1615 30.9979 177.6300 111 A 3.8584 7.8622 119.6139 54.8041 18.4827 177.8531 112 P 4.2138 0.0000 0.0000 65.5630 31.2157 178.7342 113 V 3.8513 7.7889 118.6651 65.9665 31.4727 177.9604 114 L 3.5818 7.5709 118.2801 57.5607 41.2654 179.4947 115 V 3.2620 7.3563 117.5786 65.7961 31.2736 177.8593 116 A 4.0434 8.4408 120.6986 55.3365 18.2915 179.3027 117 L 3.7310 8.0574 117.2916 58.0012 41.6982 179.7402 118 A 4.2188 8.4228 120.2980 55.4493 18.2330 179.5566 119 L 4.1822 7.8425 115.9626 58.1145 41.9960 179.7609 120 I 3.9560 8.2265 119.8853 64.5781 37.0035 178.3208 121 E 4.5389 8.4235 117.3343 58.4252 29.3610 178.7144 122 G 3.9902 7.9244 104.6894 44.3904 0.0000 174.0074 123 G 4.2638 8.1292 111.1401 46.3157 0.0000 174.0656 *125 K 4.1615 7.7033 119.9968 56.1378 35.1190 175.8764 126 Y 4.1744 8.5828 120.8567 60.6077 37.6970 178.7015 127 E 3.1998 7.1065 119.6657 58.8736 29.5241 178.9317 128 D 4.2485 7.8314 117.9307 57.3646 40.9642 178.5694 129 A 4.0688 8.0135 121.1998 55.1133 18.3574 179.8542 130 V 3.6499 8.0547 117.0814 66.3104 31.6922 178.3965 131 Q 4.0264 8.1362 117.8463 58.8351 28.3555 178.1666 132 F 4.1212 8.5658 121.0142 61.6450 39.6281 177.0053 133 I 3.9519 8.1102 119.2374 64.3250 37.1475 178.6219 134 R 4.1490 8.1857 118.8056 58.9097 29.6338 178.5296 135 Q 4.1349 7.9068 118.1275 57.8536 29.0591 177.0077 136 K 4.6241 7.8384 117.5247 56.0747 34.4804 176.2588 137 R 4.3430 7.4655 117.6223 54.3153 30.1541 175.8423 138 R 3.0871 7.0494 117.0686 57.2577 32.4044 176.9182 139 G 3.8817 7.9043 107.8225 44.4800 0.0000 174.3463 140 A 3.7739 7.6389 120.3260 53.9156 19.1091 177.9178 141 F 4.9353 7.4634 113.6661 55.0496 43.4546 173.8448 142 N 5.0411 9.0818 120.9352 51.0684 40.8835 176.0113 143 S 4.1635 8.5881 116.2512 61.8591 62.8628 177.0188 144 K 3.9543 8.1051 121.4428 59.7945 32.1250 178.7795 145 Q 4.1668 9.1828 118.5309 58.8085 28.5649 178.7452 146 L 3.9425 8.1748 120.3911 57.5996 41.7432 179.1906 147 L 3.9563 8.0101 120.3420 57.8549 41.4313 178.4727 148 Y 4.0560 7.8772 119.6437 60.7934 38.6375 178.0498 149 L 3.7875 7.6283 117.9250 57.2053 41.6585 178.7642 150 E 2.7616 7.2279 118.5415 58.0953 29.6291 177.8755 151 K 4.1518 7.2860 115.0089 55.6586 32.7743 176.3674 152 Y 3.8791 6.7322 121.1611 57.2020 39.1749 174.9275 153 R 4.1089 7.3179 126.3171 53.1616 30.9663 174.2459 154 P 4.2204 0.0000 0.0000 63.0280 31.4502 176.5307 155 K 4.1031 8.7932 121.8251 56.5466 31.9516 176.7810 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 8 A 8.25 4.31 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 9 P 0.00 4.63 0.00 1.87 1.94 0.00 3.80 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 1.96 2.14 0.00 10 V 8.38 3.99 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 0.94 0.00 0.00 0.94 0.00 0.00 11 E 8.72 5.12 0.00 1.94 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 2.22 2.37 0.00 12 V 9.19 4.74 2.35 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 1.31 0.00 0.00 0.98 0.00 0.00 13 T 9.08 5.02 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 1.28 0.00 0.00 14 Y 7.74 5.28 0.00 3.02 2.98 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 15 K 8.09 4.16 0.00 1.43 1.48 0.00 1.35 0.00 0.00 1.44 0.00 0.00 2.63 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.40 0.21 7.81 16 N 7.41 4.50 0.00 2.72 2.75 0.00 0.00 5.91 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 *18 R 7.67 4.03 0.00 1.79 2.00 0.00 3.17 0.00 0.00 3.35 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 19 F 9.73 5.50 0.00 3.15 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 20 L 8.84 5.05 0.00 1.61 1.46 0.47 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 21 I 9.00 5.40 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.13 0.90 0.00 0.00 22 T 8.51 5.07 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 1.20 0.00 0.00 23 H 8.56 4.54 0.00 3.23 3.34 0.00 5.52 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 N 8.26 4.22 0.00 2.88 2.72 0.00 0.00 6.94 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 25 P 0.00 3.97 0.00 1.14 0.49 0.00 3.08 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 26 T 7.25 4.59 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 27 N 8.64 4.38 0.00 2.72 2.93 0.00 0.00 6.87 7.35 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 28 A 7.98 4.19 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 29 T 7.83 4.41 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 1.20 0.00 0.00 30 L 7.62 3.96 0.00 1.88 1.80 1.04 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 31 N 8.17 4.31 0.00 2.85 2.83 0.00 0.00 7.22 6.01 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 32 K 7.99 4.38 0.00 1.86 1.87 0.00 2.03 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.31 7.81 33 F 8.33 4.19 0.00 3.13 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 34 I 8.47 3.71 2.04 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.04 0.92 0.00 0.00 35 E 8.06 3.96 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 2.33 2.64 0.00 36 E 7.77 3.90 0.00 2.14 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.60 0.00 37 L 7.56 4.08 0.00 1.74 1.61 0.68 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.95 3.83 0.00 2.04 1.87 0.00 1.66 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.61 7.81 39 K 7.84 3.96 0.00 1.72 1.68 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.70 7.81 40 Y 7.79 4.35 0.00 3.06 2.94 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 0.00 0.00 0.00 41 G 8.27 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 42 V 8.16 5.08 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 0.98 0.00 0.00 0.96 0.00 0.00 43 T 8.43 4.54 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 1.27 0.00 0.00 44 T 7.68 5.14 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 1.13 0.00 0.00 45 I 9.35 4.94 1.97 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.64 1.03 0.00 0.00 46 V 8.57 4.52 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 0.84 0.00 0.00 0.88 0.00 0.00 47 R 8.53 4.39 0.00 1.95 1.92 0.00 3.29 0.00 0.00 3.12 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.50 0.00 48 V 8.40 4.48 1.93 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 0.54 0.00 0.00 1.01 0.00 0.00 49 C 7.40 5.24 0.00 2.88 2.79 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 50 E 8.66 3.90 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 2.23 2.22 0.00 51 A 8.52 3.90 1.13 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 0.00 0.00 52 T 8.18 4.64 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 1.20 0.00 0.00 53 Y 7.17 4.68 0.00 2.94 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 54 D 8.66 4.67 0.00 2.70 2.65 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 0.00 0.00 0.00 0.00 55 T 8.32 4.35 4.28 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 1.14 0.00 0.00 56 T 8.21 3.85 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 1.33 0.00 0.00 57 L 7.93 4.04 0.00 1.81 1.76 0.95 0.93 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 58 V 7.96 3.67 2.32 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 1.13 0.00 0.00 1.14 0.00 0.00 59 E 8.12 4.73 0.00 2.13 1.93 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 2.44 2.15 0.00 60 K 7.97 4.04 0.00 1.86 2.03 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.49 7.81 61 E 7.74 4.36 0.00 1.95 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 2.56 2.49 0.00 62 G 7.98 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 0.00 0.00 0.00 63 I 7.58 4.57 1.90 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 1.26 0.63 0.94 0.00 0.00 64 H 9.23 4.95 0.00 3.18 3.15 0.00 5.56 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 65 V 8.14 4.76 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 0.81 0.00 0.00 0.98 0.00 0.00 66 L 8.53 4.43 0.00 0.87 0.18 0.52 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 67 D 8.77 4.92 0.00 2.58 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 68 W 8.09 5.36 0.00 3.42 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 69 P 0.00 5.18 0.00 2.08 2.22 0.00 3.64 0.00 0.00 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.85 0.00 70 F 8.17 5.06 0.00 2.95 2.98 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 71 D 9.09 4.30 0.00 2.79 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 72 D 8.49 4.30 0.00 2.55 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 73 G 9.05 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 74 A 7.05 4.18 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 75 P 0.00 4.04 0.00 1.71 1.39 0.00 3.73 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.90 0.00 76 P 0.00 3.22 0.00 1.54 0.49 0.00 2.86 0.00 0.00 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.57 0.00 77 S 7.91 4.30 0.00 4.00 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 78 N 8.58 4.34 0.00 2.73 2.91 0.00 0.00 6.80 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 79 Q 7.93 3.88 0.00 1.96 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.91 0.00 0.00 0.00 0.00 0.00 2.39 2.33 0.00 80 I 7.31 3.23 1.63 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.47 0.90 0.00 0.00 81 V 7.62 3.68 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.94 0.00 0.00 82 D 8.44 4.40 0.00 2.84 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 83 D 8.17 4.28 0.00 1.60 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 0.00 0.00 0.00 84 W 8.63 4.75 0.00 3.86 3.53 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 85 L 8.42 3.94 0.00 1.82 1.77 1.17 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 86 S 8.00 4.06 0.00 4.04 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 0.00 87 L 8.32 3.91 0.00 2.05 1.84 0.89 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 88 V 7.45 3.32 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.34 0.00 0.00 89 K 8.03 3.97 0.00 1.91 1.94 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.52 7.81 90 I 7.72 3.72 1.83 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 1.40 0.61 0.88 0.00 0.00 91 K 8.01 3.63 0.00 1.73 1.12 0.00 1.39 0.00 0.00 1.51 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.15 1.28 7.81 92 F 7.32 4.31 0.00 3.17 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 93 R 7.04 4.06 0.00 2.04 2.19 0.00 3.32 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 94 E 8.31 4.21 0.00 2.03 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 2.33 2.29 0.00 95 E 8.31 4.59 0.00 1.88 1.73 0.00 0.00 0.00 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 96 P 0.00 4.57 0.00 2.09 2.01 0.00 3.80 0.00 0.00 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.31 0.00 97 G 9.06 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 98 C 7.56 4.56 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 99 C 8.41 5.38 0.00 3.08 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 0.00 100 I 8.53 4.87 2.11 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.10 1.17 0.00 0.00 101 A 8.57 5.03 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 0.00 102 V 8.97 5.13 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 0.83 0.00 0.00 1.24 0.00 0.00 103 H 8.78 5.17 0.00 3.56 3.45 0.00 5.46 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 S 8.72 4.83 0.00 3.88 3.65 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 0.00 0.00 0.00 0.00 105 V 8.52 3.81 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 0.79 0.00 0.00 0.90 0.00 0.00 106 A 7.90 4.25 1.24 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 0.00 0.00 0.00 107 G 8.28 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 7.81 4.41 0.00 1.55 1.72 0.88 0.80 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 0.00 109 G 7.78 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 0.00 110 R 8.97 3.92 0.00 1.57 1.54 0.00 2.21 0.00 0.00 2.99 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.49 0.00 111 A 7.86 3.86 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 0.00 112 P 0.00 4.21 0.00 1.79 2.09 0.00 3.58 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 1.86 0.00 113 V 7.79 3.85 2.36 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 1.10 0.00 0.00 1.18 0.00 0.00 114 L 7.57 3.58 0.00 1.00 0.13 0.45 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 115 V 7.36 3.26 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 0.97 0.00 0.00 0.80 0.00 0.00 116 A 8.44 4.04 1.49 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 0.00 0.00 117 L 8.06 3.73 0.00 1.92 1.72 0.84 -0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 118 A 8.42 4.22 1.69 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 0.00 0.00 119 L 7.84 4.18 0.00 1.90 1.78 1.10 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 120 I 8.23 3.96 2.14 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.88 1.09 0.00 0.00 121 E 8.42 4.54 0.00 2.08 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 0.00 2.72 2.67 0.00 122 G 7.92 3.99 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 0.00 0.00 0.00 123 G 8.13 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 0.00 0.00 0.00 0.00 *125 K 7.70 4.16 0.00 1.82 2.00 0.00 1.65 0.00 0.00 1.86 0.00 0.00 3.09 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.44 1.49 7.81 126 Y 8.58 4.17 0.00 3.25 3.22 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 0.00 127 E 7.11 3.20 0.00 1.78 1.69 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 2.10 1.47 0.00 128 D 7.83 4.25 0.00 2.87 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 0.00 129 A 8.01 4.07 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 0.00 130 V 8.05 3.65 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 1.10 0.00 0.00 0.71 0.00 0.00 131 Q 8.14 4.03 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.54 0.00 0.00 0.00 0.00 0.00 2.52 2.49 0.00 132 F 8.57 4.12 0.00 3.04 3.23 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 0.00 133 I 8.11 3.95 2.13 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 1.66 0.76 0.86 0.00 0.00 134 R 8.19 4.15 0.00 2.04 2.01 0.00 3.27 0.00 0.00 3.18 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.92 0.00 135 Q 7.91 4.13 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.79 0.00 0.00 0.00 0.00 0.00 2.34 2.50 0.00 136 K 7.84 4.62 0.00 1.74 1.75 0.00 1.47 0.00 0.00 1.37 0.00 0.00 2.99 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.47 1.38 7.81 137 R 7.47 4.34 0.00 1.82 1.63 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 1.37 1.48 0.00 138 R 7.05 3.09 0.00 1.80 1.68 0.00 3.27 0.00 0.00 3.22 7.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 139 G 7.90 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 0.00 140 A 7.64 3.77 0.71 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 0.00 141 F 7.46 4.94 0.00 3.18 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 0.00 142 N 9.08 5.04 0.00 3.01 2.97 0.00 0.00 7.22 7.19 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 0.00 143 S 8.59 4.16 0.00 3.92 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 0.00 144 K 8.11 3.95 0.00 1.85 1.97 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.57 7.81 145 Q 9.18 4.17 0.00 2.41 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.59 0.00 0.00 0.00 0.00 0.00 2.45 2.62 0.00 146 L 8.17 3.94 0.00 1.91 1.75 0.99 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 147 L 8.01 3.96 0.00 1.95 1.69 0.93 0.80 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 0.00 148 Y 7.88 4.06 0.00 3.11 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 0.00 149 L 7.63 3.79 0.00 1.69 1.65 0.55 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 150 E 7.23 2.76 0.00 1.40 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 1.91 1.47 0.00 151 K 7.29 4.15 0.00 1.66 1.74 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.35 1.50 7.81 152 Y 6.73 3.88 0.00 2.47 2.78 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 0.00 153 R 7.32 4.11 0.00 1.49 1.62 0.00 3.15 0.00 0.00 3.17 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.39 0.00 154 P 0.00 4.22 0.00 2.19 2.19 0.00 3.59 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 1.93 2.01 0.00 155 K 8.79 4.10 0.00 1.96 1.77 0.00 1.88 0.00 0.00 1.80 0.00 0.00 3.04 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.41 1.45 7.81 * Residues marked with a * may have inaccurate shift predictions.