NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1264 8.2649 123.5565 50.7915 19.9014 176.4877 2 P 4.0815 0.0000 0.0000 61.8342 31.8702 175.1591 3 K 3.9570 9.1353 121.1972 56.4793 33.7294 176.5937 4 D 4.2585 8.4754 121.2803 55.8439 41.4558 176.1350 5 N 4.2065 8.5552 119.6173 53.8666 37.9219 173.2513 6 T 4.9257 6.8130 104.9743 59.8910 73.4213 172.9856 7 W 5.5538 8.9894 121.1063 55.5573 32.8993 174.2072 8 Y 5.6417 8.8474 118.4124 56.6667 41.5090 173.5159 9 T 5.0962 9.2872 114.0771 61.1125 71.5994 172.6446 10 G 3.8506 8.6074 113.2426 45.2711 0.0000 171.0920 11 A 5.3552 8.9932 120.4289 50.4270 23.2161 175.2913 12 K 5.2631 9.2995 117.6249 55.0993 37.6674 175.2318 13 L 5.1761 9.0957 121.3766 53.0953 44.8600 176.2355 14 G 4.5885 8.8893 109.2703 44.4812 0.0000 171.1353 15 W 5.9833 9.0921 129.7185 56.0958 34.5618 173.5596 16 S 4.4675 9.1346 120.3075 56.7801 65.9832 172.5327 17 Q 5.4810 8.2939 121.0412 53.3480 32.0055 175.7564 *31 H 4.6553 8.1905 112.9742 55.7815 29.3122 173.4796 32 E 4.4660 8.6511 119.7184 56.0102 31.8220 173.1120 33 N 5.5900 8.7862 121.3532 51.2616 42.3232 173.9527 34 K 5.2822 9.4060 121.7323 54.7434 35.9751 175.2871 35 L 5.2652 8.7490 122.9486 53.5658 46.2277 176.3795 36 G 2.9104 8.4099 105.7208 46.9358 0.0000 171.3620 37 A 4.8616 5.8145 121.7856 51.5247 23.4043 175.2574 38 G 4.6640 8.9628 104.6603 47.0062 0.0000 172.2163 39 A 5.5399 9.5474 121.0612 50.3435 23.0606 175.2411 40 F 5.5150 8.9365 113.8983 55.6866 41.9683 173.6087 41 G 4.5180 9.6014 106.7392 45.0598 0.0000 171.6386 42 G 4.2146 8.6270 108.5904 44.8467 0.0000 170.8515 43 Y 4.7435 8.7313 120.4969 55.4778 41.8186 173.6581 44 Q 4.4759 8.3880 128.5692 55.0071 30.5293 176.1839 45 V 3.5825 8.7284 127.4265 64.7274 32.1454 175.0674 46 N 5.6841 7.2726 113.5373 51.1050 39.9165 172.8335 47 P 4.0649 0.0000 0.0000 64.7427 31.4364 176.8999 48 Y 5.1344 8.2387 114.1850 56.9002 39.9361 175.2898 49 V 4.8032 7.9141 119.9287 61.0074 35.0212 174.6779 50 G 4.3766 8.8045 113.6881 44.8322 0.0000 170.8805 51 F 5.4775 9.1385 117.5948 55.7042 43.0734 174.4940 52 E 5.3116 9.6319 120.6610 55.0104 34.4832 173.9356 53 M 5.2683 9.3977 121.9026 53.9154 35.3605 174.6532 54 G 4.7680 9.4848 112.3278 44.7129 0.0000 170.5441 55 Y 5.5318 9.2894 121.4492 55.9029 42.1654 173.9539 56 D 5.1716 8.5377 125.0310 52.2833 45.9926 174.3088 57 W 5.4884 8.7523 117.3888 54.8933 32.2426 174.0264 58 L 5.0260 9.4852 120.4004 53.1467 45.7217 175.7781 59 G 4.7779 9.3129 109.7760 44.3039 0.0000 171.7334 60 R 4.7388 8.9350 123.8415 56.3026 30.7377 175.7813 61 M 4.6267 8.6191 125.9574 53.2721 33.5634 174.6258 62 P 4.0655 0.0000 0.0000 64.6631 31.9914 175.5574 63 Y 3.3888 7.7932 117.2564 58.7045 35.9210 171.5719 *71 A 4.2160 7.7236 120.9499 52.2550 20.2610 175.8190 72 Y 4.8753 8.6239 118.8172 56.9829 41.1797 175.0486 73 K 5.2803 9.1816 125.0844 54.6827 36.2417 174.7774 74 A 5.4071 9.4920 127.6110 50.5140 22.8025 174.9088 75 Q 5.0653 9.5434 118.6109 54.6028 33.8948 174.4578 76 G 4.6082 8.9115 107.7462 45.0689 0.0000 171.8001 77 V 5.3834 9.1787 122.9800 60.8884 34.5694 174.4248 78 Q 5.1377 9.4290 124.6935 54.5144 32.9165 173.5960 79 L 5.3472 8.8680 121.8985 53.7774 45.2837 175.2827 80 T 5.2295 9.2717 115.6402 60.0065 72.9049 172.7072 81 A 4.8600 9.0474 125.0990 51.2670 20.6619 176.3776 82 K 4.8850 9.0037 123.0145 54.6995 34.9835 174.6606 83 L 5.2415 9.0807 128.3100 53.1309 44.6857 176.1147 84 G 4.7376 9.3917 109.9336 45.6189 0.0000 170.6292 85 Y 5.5629 8.7751 116.9476 54.8008 41.7675 172.7254 86 P 4.8697 0.0000 0.0000 62.8154 32.2142 176.3292 87 I 4.0236 8.5653 125.4462 63.4573 36.4848 175.5000 88 T 4.7436 7.2675 108.0215 59.8134 71.9055 173.9771 89 D 4.5235 8.7349 120.2635 57.0782 40.9922 177.5123 90 D 4.6112 7.6649 115.1157 54.4017 41.9785 175.4227 91 L 4.9840 8.0011 122.1221 53.1532 44.2828 174.9534 92 D 5.3266 8.9122 125.8646 52.6229 44.2160 175.1470 93 I 4.7398 7.9866 122.5212 60.1366 39.6562 174.3347 94 Y 5.3316 8.2986 122.3763 56.3558 41.8100 173.5836 95 T 5.2352 9.4505 116.3158 61.9799 73.1128 173.3020 96 R 5.3876 8.9491 122.4130 54.5160 34.3393 174.5723 97 L 4.7264 8.7727 122.3635 53.7989 43.9789 175.5002 98 G 4.2147 7.6548 110.4711 46.2296 0.0000 172.0357 99 G 4.4895 8.1595 109.6908 44.6385 0.0000 171.1911 100 M 5.4171 9.1456 119.9194 53.7492 36.3433 174.1087 101 V 4.8466 8.9060 119.5126 59.5765 33.8056 175.0568 102 W 5.5294 8.6556 122.5332 54.6825 32.2010 174.2834 103 R 5.3584 9.5524 119.9595 54.8315 33.4927 173.3062 104 A 5.3231 9.6611 127.9578 50.3716 22.0044 174.3737 105 D 5.4649 9.4529 122.9992 52.9681 43.8127 175.8721 106 T 4.9040 8.9235 118.3316 60.8467 72.9840 172.8279 107 Y 4.5363 8.1232 123.2758 56.5059 40.8798 174.0006 108 S 4.9535 8.9717 121.8562 56.9347 65.0385 174.2251 109 N 4.6523 8.8560 119.2202 53.9140 39.4669 176.7673 110 V 4.0567 7.5672 116.9299 65.1330 32.0248 176.2731 111 Y 4.5292 8.1422 113.3200 57.1568 38.7178 177.5294 112 G 3.7974 7.6879 109.7411 44.7073 0.0000 173.3199 113 K 4.3045 8.0248 118.1761 56.7058 33.0540 175.9483 114 N 5.1385 8.7516 120.4973 53.2561 43.0365 172.4273 115 H 5.2753 8.2918 115.5171 54.8870 31.2711 172.2897 116 D 4.9462 9.1542 118.7173 52.8927 44.9194 174.1141 117 T 4.4384 7.8912 113.0355 60.0700 72.3027 172.4974 118 G 3.3832 6.4040 108.1946 45.6072 0.0000 172.0646 119 V 5.0425 8.1475 118.9337 61.1847 34.3748 174.4557 120 S 4.8117 9.3151 120.7176 56.2561 65.4216 171.6308 121 P 4.8511 0.0000 0.0000 62.7623 32.7308 175.6019 122 V 4.4434 7.9871 120.8188 60.1283 34.9325 174.1778 123 F 5.0050 8.5859 121.0568 55.8195 43.2448 173.5328 124 A 4.8789 8.5313 121.0437 50.8987 23.1692 175.5213 125 G 4.3637 9.4855 106.5171 44.8593 0.0000 172.2320 126 G 3.9624 7.7854 108.7942 45.4396 0.0000 172.0809 127 V 4.9070 8.5708 112.2012 59.3200 35.7590 174.9465 128 E 5.2120 9.1479 124.5289 54.6984 33.0059 173.7422 129 Y 5.0678 9.4077 124.7175 56.2450 40.4015 174.8708 130 A 4.5182 8.9599 128.2182 51.1669 18.3593 177.3364 131 I 3.8281 8.6903 123.7022 64.8200 37.4761 176.6115 132 T 4.7650 7.3700 107.7384 58.9151 71.9081 172.6010 133 P 4.2170 0.0000 0.0000 64.9612 31.5571 177.5639 134 E 4.0956 8.1163 116.8621 56.4975 30.6181 175.4932 135 I 5.1999 7.5719 119.7969 59.3033 40.6675 174.6308 136 A 5.3323 9.0811 127.9029 50.3761 22.8136 174.8538 137 T 5.2385 8.9357 110.7774 60.1153 72.1654 173.4169 138 R 5.4032 9.0936 118.0960 54.7235 33.7048 173.5113 139 L 5.2788 9.1011 122.1025 53.5087 45.1491 174.8257 140 E 5.1478 9.4953 126.1884 54.8048 33.5440 172.8512 141 Y 5.2394 9.3295 126.2591 55.8579 41.7017 173.9448 142 Q 4.9368 8.6877 128.0607 54.0309 32.3729 174.0672 143 W 5.5336 8.7425 122.2194 55.4564 32.5842 173.1534 144 T 4.8766 8.3375 109.4026 60.2548 71.5042 173.7980 145 N 4.8595 7.8839 114.7817 52.2154 38.0427 172.5263 *160 G 3.8032 7.4507 106.8025 47.0268 0.0000 170.8237 161 M 4.9468 8.5806 118.7843 53.6304 35.2442 174.2222 162 L 5.3522 8.9107 126.4804 54.0495 44.0917 175.7641 163 S 5.1970 9.1530 115.7081 57.2794 66.9715 172.7927 164 L 5.3143 8.9636 120.5804 53.3506 45.4131 175.9414 165 G 4.8256 9.2247 109.0902 45.3764 0.0000 171.5606 166 V 5.3140 9.0872 118.6238 60.0315 35.0704 174.7105 167 S 5.1352 9.5634 116.9827 56.8746 67.1846 171.7416 168 Y 5.0541 9.2159 122.5114 55.9991 40.9083 174.3855 169 R 4.6202 7.8099 126.5510 54.5508 30.6912 176.8522 170 F 4.0567 9.0405 124.3888 58.2735 39.3963 175.9456 171 G 4.1974 8.2210 113.2129 45.9326 0.0000 173.1694 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 1 A 8.26 4.13 1.12 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 2 P 0.00 4.08 0.00 2.06 1.97 0.00 3.61 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.75 0.00 3 K 9.14 3.96 0.00 1.71 1.72 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.43 7.81 4 D 8.48 4.26 0.00 2.65 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 N 8.56 4.21 0.00 2.84 2.85 0.00 0.00 6.90 7.27 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 6 T 6.81 4.93 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 1.30 0.00 0.00 7 W 8.99 5.55 0.00 3.41 3.24 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 8 Y 8.85 5.64 0.00 3.16 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 9 T 9.29 5.10 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 1.41 0.00 0.00 10 G 8.61 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 11 A 8.99 5.36 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 12 K 9.30 5.26 0.00 1.76 1.83 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.71 1.83 7.81 13 L 9.10 5.18 0.00 1.56 1.51 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.89 4.59 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 0.00 0.00 0.00 15 W 9.09 5.98 0.00 3.30 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 16 S 9.13 4.47 0.00 3.78 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Q 8.29 5.48 0.00 1.85 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.28 0.00 0.00 0.00 0.00 0.00 2.47 1.84 0.00 *31 H 8.19 4.66 0.00 3.28 3.40 0.00 5.71 0.00 0.00 0.00 0.00 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.65 4.47 0.00 2.01 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 2.25 2.26 0.00 33 N 8.79 5.59 0.00 2.78 2.95 0.00 0.00 6.82 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 34 K 9.41 5.28 0.00 1.67 1.72 0.00 1.62 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.43 7.81 35 L 8.75 5.27 0.00 1.58 1.47 0.89 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.41 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 0.00 0.00 0.00 37 A 5.81 4.86 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 38 G 8.96 4.66 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 39 A 9.55 5.54 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 40 F 8.94 5.52 0.00 3.21 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 41 G 9.60 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 G 8.63 4.21 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 0.00 43 Y 8.73 4.74 0.00 1.68 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 Q 8.39 4.48 0.00 2.15 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.51 0.00 0.00 0.00 0.00 0.00 2.39 2.27 0.00 45 V 8.73 3.58 2.21 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 0.92 0.00 0.00 1.21 0.00 0.00 46 N 7.27 5.68 0.00 2.94 2.89 0.00 0.00 6.74 7.76 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 47 P 0.00 4.06 0.00 0.91 1.73 0.00 3.48 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.90 0.00 48 Y 8.24 5.13 0.00 3.09 3.01 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 49 V 7.91 4.80 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 0.62 0.00 0.00 0.97 0.00 0.00 50 G 8.80 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 0.00 0.00 0.00 0.00 51 F 9.14 5.48 0.00 3.00 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 52 E 9.63 5.31 0.00 1.88 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 2.36 2.34 0.00 53 M 9.40 5.27 0.00 2.14 1.96 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.55 0.00 54 G 9.48 4.77 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 55 Y 9.29 5.53 0.00 3.11 2.92 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 56 D 8.54 5.17 0.00 2.44 2.30 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 57 W 8.75 5.49 0.00 3.47 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 58 L 9.49 5.03 0.00 1.59 1.57 0.87 0.75 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 59 G 9.31 4.78 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 60 R 8.93 4.74 0.00 1.94 1.89 0.00 3.12 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.81 0.00 61 M 8.62 4.63 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.75 0.00 62 P 0.00 4.07 0.00 2.17 2.02 0.00 3.88 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 2.09 2.14 0.00 63 Y 7.79 3.39 0.00 3.04 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 *71 A 7.72 4.22 1.50 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 0.00 0.00 72 Y 8.62 4.88 0.00 2.95 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 73 K 9.18 5.28 0.00 1.91 1.67 0.00 1.59 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.49 7.81 74 A 9.49 5.41 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 75 Q 9.54 5.07 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.64 0.00 0.00 0.00 0.00 0.00 2.52 2.48 0.00 76 G 8.91 4.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 V 9.18 5.38 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 1.20 0.00 0.00 78 Q 9.43 5.14 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.53 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 79 L 8.87 5.35 0.00 1.77 1.52 1.03 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 80 T 9.27 5.23 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 81 A 9.05 4.86 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.00 4.88 0.00 1.68 1.64 0.00 1.23 0.00 0.00 1.49 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.19 1.29 7.81 83 L 9.08 5.24 0.00 1.72 1.61 0.95 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 84 G 9.39 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 85 Y 8.78 5.56 0.00 3.17 3.14 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 0.00 86 P 0.00 4.87 0.00 2.24 2.09 0.00 4.12 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.99 0.00 87 I 8.57 4.02 1.77 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.67 0.89 0.00 0.00 88 T 7.27 4.74 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 89 D 8.73 4.52 0.00 2.69 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 90 D 7.66 4.61 0.00 2.70 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 91 L 8.00 4.98 0.00 1.60 1.35 0.72 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 92 D 8.91 5.33 0.00 2.53 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.99 4.74 1.17 0.00 0.00 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 0.98 0.71 0.69 0.00 0.00 94 Y 8.30 5.33 0.00 3.12 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 95 T 9.45 5.24 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 1.35 0.00 0.00 96 R 8.95 5.39 0.00 1.69 1.75 0.00 3.06 0.00 0.00 3.11 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.80 0.00 97 L 8.77 4.73 0.00 1.65 1.85 1.06 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 98 G 7.65 4.21 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 0.00 99 G 8.16 4.49 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 0.00 100 M 9.15 5.42 0.00 2.10 1.84 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.69 0.00 101 V 8.91 4.85 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 0.68 0.00 0.00 1.00 0.00 0.00 102 W 8.66 5.53 0.00 3.51 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 0.00 103 R 9.55 5.36 0.00 1.90 1.88 0.00 3.03 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.81 0.00 104 A 9.66 5.32 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.45 5.46 0.00 2.66 2.58 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 0.00 106 T 8.92 4.90 4.05 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 0.94 0.00 0.00 107 Y 8.12 4.54 0.00 3.18 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 0.00 108 S 8.97 4.95 0.00 3.95 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 0.00 109 N 8.86 4.65 0.00 2.78 2.91 0.00 0.00 6.82 7.68 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 0.00 110 V 7.57 4.06 2.17 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 1.05 0.00 0.00 0.96 0.00 0.00 111 Y 8.14 4.53 0.00 2.85 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 G 7.69 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 0.00 113 K 8.02 4.30 0.00 1.48 1.52 0.00 1.63 0.00 0.00 1.52 0.00 0.00 2.71 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.77 1.03 7.81 114 N 8.75 5.14 0.00 2.80 2.57 0.00 0.00 6.88 7.24 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 0.00 115 H 8.29 5.28 0.00 3.34 3.33 0.00 5.52 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 D 9.15 4.95 0.00 2.88 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 0.00 117 T 7.89 4.44 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 1.17 0.00 0.00 118 G 6.40 3.38 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 0.00 119 V 8.15 5.04 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 0.85 0.00 0.00 0.85 0.00 0.00 120 S 9.32 4.81 0.00 4.12 3.83 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 0.00 121 P 0.00 4.85 0.00 2.12 1.83 0.00 3.66 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.11 0.00 122 V 7.99 4.44 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 0.55 0.00 0.00 0.76 0.00 0.00 123 F 8.59 5.01 0.00 1.51 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 0.00 124 A 8.53 4.88 1.15 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 0.00 0.00 125 G 9.49 4.36 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 0.00 126 G 7.79 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 0.00 127 V 8.57 4.91 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 0.50 0.00 0.00 0.95 0.00 0.00 128 E 9.15 5.21 0.00 2.07 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 2.14 2.51 0.00 129 Y 9.41 5.07 0.00 2.88 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 0.00 130 A 8.96 4.52 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 0.00 0.00 0.00 0.00 0.00 131 I 8.69 3.83 1.88 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 1.38 0.85 0.91 0.00 0.00 132 T 7.37 4.77 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 133 P 0.00 4.22 0.00 2.02 2.12 0.00 3.64 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 2.08 0.00 134 E 8.12 4.10 0.00 2.07 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 2.14 2.09 0.00 135 I 7.57 5.20 1.89 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 1.21 1.16 0.94 0.00 0.00 136 A 9.08 5.33 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 0.00 137 T 8.94 5.24 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 1.22 0.00 0.00 138 R 9.09 5.40 0.00 2.14 2.12 0.00 2.40 0.00 0.00 3.04 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 139 L 9.10 5.28 0.00 1.88 1.65 1.01 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 140 E 9.50 5.15 0.00 2.16 1.78 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 2.25 2.40 0.00 141 Y 9.33 5.24 0.00 3.05 2.92 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 0.00 142 Q 8.69 4.94 0.00 2.16 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.38 0.00 0.00 0.00 0.00 0.00 2.06 2.20 0.00 143 W 8.74 5.53 0.00 3.32 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 0.00 144 T 8.34 4.88 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 1.14 0.00 0.00 145 N 7.88 4.86 0.00 3.11 3.00 0.00 0.00 6.90 6.88 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 *160 G 7.45 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 0.00 161 M 8.58 4.95 0.00 1.92 1.77 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.46 0.00 162 L 8.91 5.35 0.00 1.88 1.78 1.07 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 163 S 9.15 5.20 0.00 3.98 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 0.00 164 L 8.96 5.31 0.00 1.64 1.60 0.94 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 165 G 9.22 4.83 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 0.00 0.00 0.00 166 V 9.09 5.31 2.14 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 0.92 0.00 0.00 1.03 0.00 0.00 167 S 9.56 5.14 0.00 4.04 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 0.00 168 Y 9.22 5.05 0.00 2.90 2.63 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 0.00 169 R 7.81 4.62 0.00 1.51 1.71 0.00 3.14 0.00 0.00 3.08 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.44 0.00 170 F 9.04 4.06 0.00 3.35 3.24 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 0.00 171 G 8.22 4.20 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 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.