NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 E 4.0647 8.3033 121.4786 57.2757 30.6646 175.6749 10 Y 3.7896 8.4896 122.0762 58.4881 35.8487 167.4128 11 E 4.4470 7.4498 119.7906 55.6873 29.2123 175.6104 12 D 4.7877 7.8499 115.8221 52.6278 40.8371 177.7484 13 G 3.9353 8.3300 107.3129 46.3728 0.0000 174.2283 14 R 4.3594 8.3831 117.3208 55.5930 30.8890 178.7875 15 G 3.6585 7.9344 105.5425 45.1811 0.0000 174.5280 16 F 3.9223 7.7179 112.6424 57.3506 36.5321 174.8759 17 G 3.9958 8.5663 110.3214 44.5839 0.0000 172.3117 18 I 4.0065 8.3894 120.0983 63.3320 37.3492 176.9841 19 G 4.0713 9.2223 113.7838 45.1001 0.0000 173.6026 20 E 4.2296 7.8909 120.2842 56.2860 30.8107 176.1639 21 L 4.7979 8.5799 124.2640 54.6104 43.2714 176.3194 22 V 5.1464 9.3037 116.0570 59.6681 36.8830 174.0773 23 W 5.5561 9.6956 122.3915 55.4329 31.2933 175.8235 24 G 4.9596 10.4036 111.6361 44.4394 0.0000 171.6316 25 K 4.4405 8.7723 124.5563 54.2477 33.8175 175.3093 26 L 4.6956 8.1346 127.2046 52.2632 44.0884 176.0162 27 R 3.9332 8.4545 121.9120 58.3491 30.0768 176.9353 28 G 3.6564 8.9798 113.4438 45.0693 0.0000 172.6623 29 F 4.9389 7.4894 117.2091 55.2359 41.9648 175.5016 30 S 4.4537 8.6596 118.7620 57.8365 63.4368 174.2863 31 W 4.7763 8.9343 122.1562 57.8256 29.4724 175.3823 32 W 5.3211 9.9551 133.8961 54.8887 33.8589 172.6716 33 P 4.5888 0.0000 0.0000 63.0256 32.3367 175.5912 34 G 4.5522 9.2782 110.2200 45.6790 0.0000 171.6020 35 R 5.3159 8.3090 115.2358 54.0410 33.1814 174.9518 36 I 4.4496 8.5640 122.9519 61.7013 37.9744 175.6421 37 V 4.9085 8.5698 119.8969 59.1505 34.8901 175.6931 38 S 4.6618 8.6169 116.4232 57.6306 63.1983 175.1789 39 W 3.5975 9.3120 122.9644 58.8143 28.0117 178.5595 40 W 2.8483 6.8517 118.9181 58.7176 28.3452 176.5963 41 M 4.1818 7.1474 113.0239 55.1535 31.2169 176.8963 42 T 2.4800 6.8882 110.4360 61.7382 69.3040 175.9803 43 G 3.8502 7.7234 108.0005 45.9317 0.0000 173.7129 44 R 4.6465 7.1264 118.8372 56.3558 30.1224 177.3375 45 S 4.7072 8.6944 122.4532 56.9200 66.1739 173.6324 46 R 3.4135 7.2945 120.2272 56.3964 30.1368 176.7273 47 A 4.0479 8.5648 124.4244 51.3708 19.5501 177.5001 48 A 4.1631 8.2494 124.9366 51.4224 19.2430 176.8933 49 E 4.1204 8.4391 117.8404 57.9272 30.0240 177.8644 50 G 3.9528 9.3153 109.3109 45.7597 0.0000 172.6846 51 T 5.0773 7.5141 108.0718 59.7775 71.9777 173.5670 52 R 4.4925 8.7537 120.2879 54.1147 35.0408 174.4507 53 W 5.0111 8.9664 122.6676 56.1813 30.6534 175.6938 54 V 4.6983 8.7729 124.6909 59.9115 33.9395 174.1911 55 M 4.4734 8.4947 124.8558 53.9260 33.7503 175.0590 56 W 4.9464 8.6019 127.3676 56.4940 30.4475 176.3114 57 F 4.2601 8.9251 123.2894 58.5940 38.8392 174.3438 58 G 4.6284 10.3885 116.7737 44.5077 0.0000 174.0101 59 D 4.7692 7.8382 119.5660 51.2874 41.0755 177.0137 60 G 3.6979 8.2038 107.4303 46.0923 0.0000 174.0488 61 K 4.1017 7.7365 118.3717 56.0430 33.4668 175.8392 62 F 5.5874 8.5859 120.2044 56.2570 41.3595 175.5224 63 S 4.9165 9.0648 117.8852 57.0249 67.7365 173.3605 64 V 3.5614 7.9221 124.1177 62.3214 32.1653 175.3121 65 V 4.4386 8.4938 127.5391 60.9620 34.8982 174.7520 66 C 4.6217 8.6051 124.9524 59.6159 29.0507 175.2693 67 V 3.3241 8.4538 116.6073 64.2099 31.3335 178.6906 68 E 4.1351 8.2119 118.2349 58.6046 29.5990 177.4277 69 K 4.7807 8.3047 118.0056 55.9789 33.3856 175.6942 70 L 5.5733 7.8718 119.0423 53.3753 44.7012 176.0393 71 M 5.3817 9.4537 121.5055 52.6538 36.5710 173.3712 72 P 4.7917 0.0000 0.0000 62.8537 32.2758 176.6821 73 L 4.2940 8.5554 124.1756 58.5462 41.9153 178.7035 74 S 4.3174 8.3220 112.0552 60.9254 63.1586 174.2629 75 S 4.5770 8.1952 118.8129 58.7206 62.9922 176.2841 76 F 4.2506 8.6202 124.2222 61.9045 39.3745 175.5018 77 C 4.4754 8.1518 114.3262 62.6158 27.9850 175.8859 78 S 4.0431 7.7707 115.7525 61.1103 62.5845 175.5906 79 A 3.5393 6.5843 121.7571 52.5937 19.1232 177.9230 80 F 3.9751 6.8707 118.7343 57.7302 40.1337 174.7897 81 H 4.4550 7.5493 123.3688 53.1449 32.2991 174.4450 82 Q 3.7975 8.4142 126.6092 58.8943 28.5659 177.9505 83 A 3.9840 7.7893 121.6283 55.3062 18.4933 179.5828 84 T 3.6322 7.5309 113.8006 66.6956 68.2815 176.0173 85 Y 4.2491 7.3607 120.2960 61.0532 38.9446 177.9138 86 N 4.5672 8.5744 116.2368 55.6716 38.6377 176.9017 87 K 4.4433 7.4485 118.4428 56.4514 33.0943 176.6538 88 Q 4.6348 7.7549 119.2954 53.0489 30.4446 174.4366 89 P 4.2349 0.0000 0.0000 66.2323 31.0946 178.1063 90 M 4.2000 8.1674 117.4326 58.4536 31.9659 177.3864 91 Y 3.3450 8.2666 119.3793 60.6281 39.0381 178.0994 92 R 3.8628 7.8641 118.5086 59.0187 29.9814 179.0092 93 K 3.9755 8.2833 119.2638 59.3966 32.2063 178.7720 94 A 4.1004 8.3238 121.4905 55.1744 18.2761 179.6401 95 I 3.4970 7.7943 118.6247 64.5718 37.2388 177.7257 96 Y 4.0807 8.1279 120.2996 61.0173 38.6490 178.3419 97 E 3.8565 8.4778 119.5502 59.3417 29.5342 179.8180 98 V 2.7539 7.3456 119.1901 64.3851 31.3294 178.3468 99 L 4.1651 7.9326 119.4063 57.1197 41.5981 179.3334 100 Q 3.8039 7.7692 118.4038 58.7707 28.6097 178.9429 101 V 3.5263 7.5409 118.7625 65.8080 31.6050 177.6582 102 A 4.0873 8.1510 120.9684 55.5616 18.2066 179.9041 103 S 3.8517 8.6190 112.8762 61.2504 62.4977 176.6120 104 S 3.9989 7.9230 116.4482 61.2959 61.9441 176.3034 105 R 3.9347 7.8400 119.2628 59.2686 29.9760 178.6007 106 A 4.3527 8.2003 118.4108 52.4193 18.5839 177.7189 107 G 3.6611 7.3813 104.3064 46.2543 0.0000 173.5237 108 K 3.8126 7.8907 121.7294 54.6790 32.4435 175.7730 109 L 4.4799 7.6922 126.2722 53.2552 44.2262 175.3473 110 F 4.6337 7.8920 122.3702 58.4535 39.4262 178.4913 *123 K 4.2496 8.6902 131.9626 54.7683 33.8940 176.5298 124 A 4.0483 7.9825 119.8979 56.4258 18.2885 180.0742 125 V 3.3198 7.5312 110.2785 64.3771 31.3672 178.5426 126 E 4.1811 8.0654 117.3111 59.2045 29.7358 179.1592 127 V 3.7750 7.8192 118.3315 66.2407 30.5048 178.2754 128 Q 4.1113 8.0789 117.1317 58.7052 28.4328 178.3303 129 N 4.6527 8.4525 117.9598 55.9487 38.5521 177.2448 130 K 3.8792 7.6017 119.1758 59.3316 32.2184 177.5852 131 P 4.2925 0.0000 0.0000 65.6557 31.2710 178.6984 132 M 3.8171 7.0103 117.8164 58.2161 31.8187 178.8582 133 I 3.3260 8.3122 120.5323 64.3158 37.2065 178.2679 134 E 3.9128 8.0879 119.3740 59.0892 29.1689 179.2556 135 W 4.1348 8.3834 128.1743 60.3002 30.7704 177.9745 136 A 2.0000 7.2538 120.4590 54.3242 17.3520 179.6116 137 L 3.9266 7.4591 116.4624 57.6199 41.7465 179.2792 138 G 3.7841 7.6238 102.8535 45.0206 0.0000 174.0929 139 G 3.8056 7.2050 109.7431 45.0397 0.0000 173.8834 140 F 2.3000 7.0710 115.5799 57.5868 36.9453 175.7986 141 Q 4.4966 7.9226 117.8121 55.4787 29.3035 175.0670 142 P 4.6526 0.0000 0.0000 63.6406 32.2811 177.2944 143 S 4.1208 8.2863 113.9162 59.3157 63.4416 175.5693 144 G 4.0364 8.5766 110.6044 44.1183 0.0000 171.6862 145 P 3.9376 0.0000 0.0000 65.3852 30.7399 178.2786 146 K 3.9088 8.2197 118.2223 59.6667 31.7438 178.4907 147 G 3.7454 7.7568 104.1023 46.5959 0.0000 174.7159 148 L 4.3397 7.5322 119.4988 54.6489 42.2440 176.9344 149 E 4.1636 6.9905 118.3223 55.0522 30.0669 175.0210 150 P 4.2933 0.0000 0.0000 62.3474 31.8560 174.9492 151 P 4.4277 0.0000 0.0000 63.0414 31.3583 176.0934 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 9 E 8.30 4.06 0.00 2.08 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 1.47 1.66 0.00 10 Y 8.49 3.79 0.00 3.36 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 11 E 7.45 4.45 0.00 1.97 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.30 0.00 12 D 7.85 4.79 0.00 2.84 2.77 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 13 G 8.33 3.94 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 0.00 0.00 0.00 14 R 8.38 4.36 0.00 2.00 2.08 0.00 3.45 0.00 0.00 3.27 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.77 0.00 15 G 7.93 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 F 7.72 3.92 0.00 3.09 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 17 G 8.57 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 0.00 0.00 0.00 18 I 8.39 4.01 2.02 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.01 1.07 0.00 0.00 19 G 9.22 4.07 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 0.00 0.00 0.00 20 E 7.89 4.23 0.00 2.11 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 21 L 8.58 4.80 0.00 1.62 1.63 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 22 V 9.30 5.15 2.40 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 1.10 0.00 0.00 1.04 0.00 0.00 23 W 9.70 5.56 0.00 3.43 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 G 10.40 4.96 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 25 K 8.77 4.44 0.00 0.79 0.84 0.00 1.13 0.00 0.00 0.61 0.00 0.00 2.74 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.71 0.99 7.81 26 L 8.13 4.70 0.00 1.72 1.62 0.73 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 27 R 8.45 3.93 0.00 1.71 1.85 0.00 3.24 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 28 G 8.98 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 F 7.49 4.94 0.00 3.01 2.74 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 30 S 8.66 4.45 0.00 4.17 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 31 W 8.93 4.78 0.00 3.22 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 W 9.96 5.32 0.00 3.58 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 33 P 0.00 4.59 0.00 2.04 1.45 0.00 2.64 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.03 0.00 34 G 9.28 4.55 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 0.00 0.00 0.00 0.00 35 R 8.31 5.32 0.00 1.94 2.15 0.00 2.96 0.00 0.00 3.15 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.52 0.00 36 I 8.56 4.45 2.11 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 1.51 1.00 0.94 0.00 0.00 37 V 8.57 4.91 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 0.77 0.00 0.00 1.09 0.00 0.00 38 S 8.62 4.66 0.00 3.99 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 39 W 9.31 3.60 0.00 3.50 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 40 W 6.85 2.85 0.00 2.94 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 41 M 7.15 4.18 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.48 0.00 42 T 6.89 2.48 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 -0.05 0.00 0.00 43 G 7.72 3.85 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 0.00 0.00 0.00 44 R 7.13 4.65 0.00 1.60 1.52 0.00 3.29 0.00 0.00 3.29 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.54 0.00 45 S 8.69 4.71 0.00 3.86 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 R 7.29 3.41 0.00 1.22 1.40 0.00 2.60 0.00 0.00 2.73 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 47 A 8.56 4.05 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 48 A 8.25 4.16 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 49 E 8.44 4.12 0.00 2.11 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 2.27 2.32 0.00 50 G 9.32 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 0.00 0.00 0.00 51 T 7.51 5.08 4.06 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 1.13 0.00 0.00 52 R 8.75 4.49 0.00 1.39 1.46 0.00 2.26 0.00 0.00 2.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.47 0.00 53 W 8.97 5.01 0.00 3.72 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 54 V 8.77 4.70 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 0.29 0.00 0.00 -0.22 0.00 0.00 55 M 8.49 4.47 0.00 1.96 2.07 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.16 0.00 56 W 8.60 4.95 0.00 3.25 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 57 F 8.93 4.26 0.00 3.09 3.18 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 0.00 58 G 10.39 4.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.84 4.77 0.00 2.74 2.76 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 0.00 0.00 0.00 60 G 8.20 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 0.00 0.00 0.00 61 K 7.74 4.10 0.00 1.88 1.83 0.00 1.56 0.00 0.00 1.61 0.00 0.00 2.83 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.47 7.81 62 F 8.59 5.59 0.00 3.00 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 63 S 9.06 4.92 0.00 4.05 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 64 V 7.92 3.56 1.67 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 0.34 0.00 0.00 -0.55 0.00 0.00 65 V 8.49 4.44 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 0.91 0.00 0.00 1.01 0.00 0.00 66 C 8.61 4.62 0.00 2.99 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 67 V 8.45 3.32 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 0.87 0.00 0.00 0.98 0.00 0.00 68 E 8.21 4.14 0.00 1.96 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 0.00 2.35 2.44 0.00 69 K 8.30 4.78 0.00 1.73 1.80 0.00 1.45 0.00 0.00 1.61 0.00 0.00 2.82 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.48 7.81 70 L 7.87 5.57 0.00 0.79 0.82 0.32 0.51 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 71 M 9.45 5.38 0.00 1.92 1.83 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.43 0.00 72 P 0.00 4.79 0.00 2.15 2.16 0.00 3.89 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.97 0.00 73 L 8.56 4.29 0.00 1.79 1.72 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 74 S 8.32 4.32 0.00 4.00 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 75 S 8.20 4.58 0.00 4.05 3.76 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 0.00 0.00 0.00 76 F 8.62 4.25 0.00 3.70 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 C 8.15 4.48 0.00 2.99 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 78 S 7.77 4.04 0.00 3.64 3.63 0.00 0.00 0.00 0.00 0.00 0.00 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 A 6.58 3.54 -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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 F 6.87 3.98 0.00 1.74 2.45 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 81 H 7.55 4.45 0.00 2.86 2.92 0.00 5.68 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 Q 8.41 3.80 0.00 2.23 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.50 2.57 0.00 83 A 7.79 3.98 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 84 T 7.53 3.63 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 0.67 0.00 0.00 85 Y 7.36 4.25 0.00 3.11 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 86 N 8.57 4.57 0.00 2.89 2.92 0.00 0.00 7.07 7.29 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 87 K 7.45 4.44 0.00 1.93 1.84 0.00 1.65 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.59 7.81 88 Q 7.75 4.63 0.00 2.24 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.78 0.00 0.00 0.00 0.00 0.00 2.34 2.28 0.00 89 P 0.00 4.23 0.00 2.28 2.31 0.00 3.74 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 2.11 2.04 0.00 90 M 8.17 4.20 0.00 2.47 2.26 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 3.10 0.00 91 Y 8.27 3.35 0.00 3.05 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 92 R 7.86 3.86 0.00 1.91 1.71 0.00 2.59 0.00 0.00 2.56 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.49 0.00 93 K 8.28 3.98 0.00 1.99 2.12 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.68 1.50 7.81 94 A 8.32 4.10 1.22 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 95 I 7.79 3.50 2.22 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.34 1.09 0.00 0.00 96 Y 8.13 4.08 0.00 3.34 3.18 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 0.00 97 E 8.48 3.86 0.00 1.97 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 2.50 2.68 0.00 98 V 7.35 2.75 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.70 0.00 0.00 99 L 7.93 4.17 0.00 1.72 1.83 0.93 0.95 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 0.00 100 Q 7.77 3.80 0.00 1.99 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.82 0.00 0.00 0.00 0.00 0.00 1.80 1.69 0.00 101 V 7.54 3.53 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 1.06 0.00 0.00 1.00 0.00 0.00 102 A 8.15 4.09 1.60 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 0.00 0.00 103 S 8.62 3.85 0.00 3.86 3.74 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 0.00 104 S 7.92 4.00 0.00 3.96 4.06 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 0.00 105 R 7.84 3.93 0.00 2.06 2.11 0.00 3.24 0.00 0.00 3.54 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.86 0.00 106 A 8.20 4.35 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 0.00 0.00 0.00 0.00 0.00 107 G 7.38 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 K 7.89 3.81 0.00 1.12 0.74 0.00 1.13 0.00 0.00 1.44 0.00 0.00 2.32 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.30 0.21 7.81 109 L 7.69 4.48 0.00 1.40 1.37 0.80 0.74 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 0.00 110 F 7.89 4.63 0.00 2.90 2.16 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 *123 K 8.69 4.25 0.00 1.71 1.85 0.00 1.80 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.02 7.81 124 A 7.98 4.05 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 0.00 125 V 7.53 3.32 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 0.12 0.00 0.00 0.80 0.00 0.00 126 E 8.07 4.18 0.00 2.16 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 2.45 2.38 0.00 127 V 7.82 3.77 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 1.05 0.00 0.00 1.03 0.00 0.00 128 Q 8.08 4.11 0.00 2.44 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 129 N 8.45 4.65 0.00 3.08 3.00 0.00 0.00 6.86 7.06 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 0.00 130 K 7.60 3.88 0.00 2.06 1.86 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.66 7.81 131 P 0.00 4.29 0.00 1.81 2.17 0.00 3.59 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.15 0.00 132 M 7.01 3.82 0.00 2.05 1.98 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.94 0.00 133 I 8.31 3.33 1.68 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.52 0.53 0.00 0.00 134 E 8.09 3.91 0.00 2.20 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.45 0.00 135 W 8.38 4.13 0.00 3.60 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 A 7.25 2.00 -0.36 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 0.00 0.00 137 L 7.46 3.93 0.00 1.40 1.66 0.87 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 138 G 7.62 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 0.00 139 G 7.20 3.81 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 0.00 0.00 0.00 140 F 7.07 2.30 0.00 2.98 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 0.00 141 Q 7.92 4.50 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.96 0.00 0.00 0.00 0.00 0.00 2.46 2.29 0.00 142 P 0.00 4.65 0.00 2.20 2.19 0.00 3.86 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 1.98 1.95 0.00 143 S 8.29 4.12 0.00 4.07 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 0.00 144 G 8.58 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 0.00 0.00 0.00 145 P 0.00 3.94 0.00 2.10 2.01 0.00 3.61 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.14 0.00 146 K 8.22 3.91 0.00 1.84 1.82 0.00 1.59 0.00 0.00 1.81 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.58 7.81 147 G 7.76 3.75 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 0.00 148 L 7.53 4.34 0.00 1.50 1.56 -0.47 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 149 E 6.99 4.16 0.00 2.04 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 2.30 2.39 0.00 150 P 0.00 4.29 0.00 2.06 2.04 0.00 3.68 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.25 0.00 151 P 0.00 4.43 0.00 2.18 2.04 0.00 3.82 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 * Residues marked with a * may have inaccurate shift predictions.