NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.5287 8.2185 120.1902 53.6803 42.6961 175.9775 3 A 3.8566 8.5849 127.5201 55.0404 18.7959 178.5214 4 L 3.9939 8.3258 115.9462 58.0716 42.5751 177.8140 5 E 4.0078 8.1766 119.0731 58.7783 29.3530 178.1572 6 L 4.1917 7.6572 119.1869 56.6787 42.0623 176.7767 7 L 4.6400 7.3477 118.0065 55.0082 42.0048 178.4251 8 I 4.0565 7.3692 114.7741 60.4238 36.6570 175.4343 9 N 3.9695 9.0221 115.4226 55.0523 36.8024 175.3169 10 R 3.9851 7.3254 115.8884 57.2568 29.5167 176.4961 11 R 4.3279 7.2048 112.3976 54.8151 29.1710 179.4204 12 S 4.2261 7.7026 112.2781 58.9423 61.4752 174.2983 13 A 4.4712 7.9202 131.1940 51.3835 20.2960 177.7308 14 S 4.3961 8.1110 114.8561 59.1563 64.8435 172.6050 15 R 3.7559 8.4723 118.6901 56.9413 25.6085 173.1721 16 L 5.2002 8.0448 118.5904 52.9765 44.2361 175.3728 17 A 5.1075 8.9297 125.1823 50.2945 22.8795 174.8042 18 E 4.2574 8.7915 115.1458 55.9093 30.3967 175.6943 19 P 4.7016 0.0000 0.0000 62.4027 32.4259 175.9042 20 A 4.6507 8.4266 124.8387 49.8642 20.5435 175.6221 21 P 3.5283 0.0000 0.0000 62.6742 31.4541 175.5981 22 T 4.5701 7.6013 114.3617 60.5185 72.0131 174.7028 23 G 3.9185 8.2988 112.2808 46.5704 0.0000 176.5580 24 E 3.9574 8.7610 120.6469 59.1513 28.7845 178.4698 25 Q 4.7794 7.6485 118.7039 58.4816 28.9185 179.0598 26 L 3.8026 7.6701 120.4983 58.1537 42.1274 178.7267 27 Q 3.9301 7.9723 118.0480 59.0399 28.6017 178.6262 28 N 4.2955 8.7323 117.8419 56.1631 38.6044 177.6180 29 I 3.6397 7.2490 120.7784 64.2207 36.9676 178.4535 30 L 3.4128 7.3152 118.5027 57.5316 41.4359 179.3313 31 R 4.0064 7.8989 116.9828 59.3523 30.1168 178.6050 32 A 4.2202 7.6837 119.1841 54.8247 18.3810 180.4317 33 G 3.7084 7.3112 101.8749 44.3524 0.0000 174.5465 *35 R 4.0600 7.8261 120.0900 55.3672 30.4019 176.0448 36 A 4.5888 7.5063 128.3703 50.0060 21.4578 175.1436 37 P 4.6366 0.0000 0.0000 63.4119 29.9981 177.0609 38 D 4.2625 9.2329 112.0854 53.8610 37.5973 173.9150 *45 W 4.5798 7.6479 116.6869 57.7252 30.4335 174.0314 46 H 4.7567 8.8998 123.9685 54.3856 31.6147 172.6842 47 F 5.5196 8.7010 124.0222 55.9223 41.3588 174.9919 48 F 4.7098 9.0652 121.3657 55.6591 41.7956 174.5321 49 V 4.2962 8.6242 124.5630 62.0722 32.3023 175.1293 50 I 4.5518 8.7286 130.8622 59.6816 39.1133 174.8023 51 E 4.8661 8.6591 124.0249 54.7001 33.1917 176.3019 52 G 3.7403 8.9831 108.9246 46.1257 0.0000 175.7546 53 E 4.2411 9.0356 120.1783 59.4522 29.2622 179.0583 54 G 3.7173 8.2298 105.6044 47.7589 0.0000 175.8099 55 R 3.9389 8.4204 120.6908 58.9913 29.9698 178.8159 56 E 4.1631 8.1533 118.5070 59.4907 29.5078 179.1898 57 R 3.8638 7.9942 117.9299 59.5730 30.1762 177.8125 58 F 4.3378 8.2529 120.2986 61.5527 39.1672 176.9234 59 S 3.7593 8.3010 112.5062 61.3311 62.1264 176.0153 60 A 3.9412 7.9602 123.3092 55.1312 18.0452 179.7838 61 V 3.4701 8.1223 117.1046 66.0426 31.5906 178.2634 62 L 3.8104 7.9961 119.0944 57.6802 41.3383 179.0115 63 E 3.8679 8.2368 119.4095 59.5568 29.4913 178.9276 64 Q 4.0659 8.3694 118.2689 58.7017 28.8084 179.0610 65 G 3.5700 8.2351 106.7440 47.7890 0.0000 175.5762 66 A 4.0156 8.3370 124.1886 54.7084 18.2918 179.7426 67 I 3.5684 8.0490 118.2790 64.6450 37.0675 178.6511 68 A 3.9845 8.1747 119.8956 54.5501 18.2137 178.4790 69 A 4.3694 7.6547 117.0008 51.5086 18.8766 177.4439 70 G 3.8357 8.0795 105.6221 46.6861 0.0000 174.8644 71 S 4.3851 7.7921 115.2632 57.6537 63.6757 174.4573 72 D 4.7236 8.3026 121.8567 52.4982 41.8289 177.0829 73 D 4.3964 8.5243 120.4549 57.7609 40.8743 179.5199 74 K 3.8775 8.1176 118.9602 59.6009 32.1561 178.4729 75 A 4.0140 8.5709 121.1543 55.0368 18.2672 179.7124 76 I 3.6238 8.0848 118.7436 64.7529 37.2364 178.4786 77 D 4.3813 8.4957 120.1398 57.0987 40.7119 178.7866 78 K 3.9492 8.1504 120.1489 59.2203 31.9474 178.7835 79 A 3.8785 7.8310 120.4217 55.1326 18.3887 179.2718 80 R 3.9363 7.7281 116.0390 59.6217 30.4630 178.1292 81 N 4.7461 8.4184 115.3116 55.0221 38.6099 176.9118 82 A 3.9063 7.6950 122.7265 55.1518 18.2085 177.8224 83 P 4.3638 0.0000 0.0000 65.1225 31.2954 177.1664 84 F 4.7561 7.3772 114.1179 57.6072 37.5196 176.6173 85 R 4.2988 8.2877 120.2338 57.0947 30.3519 175.8919 86 A 5.1800 7.8203 118.6871 50.6589 21.9108 174.5249 87 P 4.5888 0.0000 0.0000 64.7359 32.3159 176.2038 88 L 5.0022 8.0390 122.1193 53.3904 45.9765 175.1112 89 I 4.8177 8.6015 124.9181 59.5638 41.7838 174.0986 90 I 4.9003 8.7833 127.5406 59.8592 39.7825 174.7920 91 T 4.6171 8.7725 125.0753 62.8135 70.0103 174.0859 92 V 4.6509 8.8024 127.3553 61.4935 33.3159 174.4079 93 V 4.8417 8.8077 128.3697 61.0503 34.1164 174.2188 94 A 4.5100 9.0306 128.3319 50.3297 21.8459 176.3903 95 K 3.9019 8.4203 122.1538 58.8069 33.7434 178.4007 *102 V 3.7544 7.3091 114.0528 59.6860 31.9873 174.7357 103 P 4.5397 0.0000 0.0000 62.2927 33.7460 177.5667 104 R 3.8777 8.4230 116.3026 59.1523 29.7950 179.0996 105 W 4.3840 8.3823 115.3304 59.9678 27.8423 177.2539 106 E 3.2692 6.8086 119.1038 58.8035 29.2857 178.1290 107 Q 4.0787 7.6178 116.7197 59.1375 28.4658 177.9580 108 E 4.0391 7.9329 117.8261 57.9260 29.5248 178.1536 *110 S 4.3512 7.9519 114.3870 58.8951 65.1927 175.7165 111 A 4.3686 8.5972 122.2555 55.4120 17.8717 179.9523 112 G 3.3835 7.5480 102.7577 47.9706 0.0000 175.2878 113 C 4.1747 7.9311 117.4286 62.5566 28.0400 175.6543 114 A 3.9244 7.8733 122.2860 54.8314 17.6072 180.7042 115 V 3.2518 7.1985 113.1999 63.1394 31.3466 176.1135 *117 A 4.0444 7.7933 117.1847 51.7690 19.8910 177.9013 *119 Q 4.0823 7.9342 115.7177 57.3789 30.5851 177.3174 *121 A 4.2344 7.9864 122.8330 52.2506 20.8647 179.9676 122 A 4.1172 7.9905 117.1872 55.2915 18.5353 179.6964 123 V 3.9037 8.0926 117.8777 65.7739 31.4415 177.9566 124 A 4.1867 8.1208 118.2387 54.6514 18.2366 178.4111 125 Q 4.5936 7.7149 114.1718 55.4753 29.0035 177.0192 126 G 3.5218 8.5789 107.9331 45.3654 0.0000 173.3987 127 F 4.9618 8.4014 119.8866 55.7762 42.6688 174.4651 128 G 4.4848 9.0442 104.7761 45.6310 0.0000 172.4010 129 G 4.7159 8.6140 106.9577 44.6105 0.0000 171.9780 130 I 4.7760 9.0744 124.8554 58.9820 40.1236 174.5657 131 W 5.1403 9.0592 135.0000 57.0920 31.6414 175.5110 132 R 4.5716 7.8707 125.1882 54.7124 34.1968 174.5110 133 S 4.6438 8.2829 111.2580 58.4844 63.8881 175.9053 134 G 4.1154 7.7602 118.7093 44.9931 0.0000 171.4315 135 A 4.1030 8.5373 120.6318 54.9748 18.8201 180.0178 136 L 4.1091 7.9576 115.3338 57.3939 41.9244 179.0905 137 T 4.0038 7.8852 113.0332 64.4344 67.2724 174.3381 138 E 4.4917 8.0343 118.5343 55.9653 30.1968 176.5386 139 S 4.2345 7.9711 115.7024 57.5424 63.6828 172.6319 140 P 4.2530 0.0000 0.0000 65.7745 31.2062 178.8240 141 V 3.5627 7.7622 116.3614 66.0868 31.1185 178.1337 142 V 3.6909 7.4820 116.4555 66.0469 31.4049 178.1135 143 R 4.0622 8.4526 118.2874 59.3502 29.8736 178.6078 144 E 3.9047 8.6602 119.2249 59.2920 29.4080 178.6248 145 A 3.8109 7.7933 119.6609 54.2710 18.2564 178.6115 146 F 4.2307 7.3274 113.7098 55.9501 40.4978 176.2118 147 G 4.0272 7.9309 105.3864 46.7385 0.0000 174.5194 148 C 4.5609 8.1917 114.9903 58.8247 29.0031 175.2502 149 R 4.4173 9.1223 124.7819 54.8986 31.6037 176.9864 150 E 3.9766 8.7994 117.4596 60.0979 29.3992 178.8389 151 Q 4.0597 7.9637 117.8359 58.5507 29.4813 176.0754 152 D 4.6963 7.2283 115.8196 54.6499 41.6324 175.6643 153 K 4.5394 8.7091 122.5938 55.1993 36.1091 174.8827 154 I 4.0958 8.3216 128.7184 61.2142 37.0903 176.0436 155 V 3.7777 9.2745 128.9162 64.1245 32.2677 176.0636 156 G 3.1149 6.6034 104.2385 46.1015 0.0000 170.4949 157 F 5.1493 7.1935 118.2849 55.3860 42.6571 174.3021 158 L 5.1742 9.1954 126.7055 53.7934 43.6064 174.7694 159 Y 4.7289 9.2869 125.7665 57.6490 39.2261 174.9604 160 L 5.7120 9.2476 123.4571 51.7905 46.6165 177.0354 161 G 4.2237 7.9660 106.6812 46.5628 0.0000 170.6120 162 T 4.8752 8.7770 117.2820 61.5325 69.8895 173.4720 163 P 4.5849 0.0000 0.0000 63.1673 32.3804 176.4984 164 Q 4.4444 8.3841 121.6478 54.5967 29.1851 174.2716 165 L 3.1344 8.3160 122.6014 54.8024 41.1141 174.6768 *173 V 3.8067 8.0203 118.6220 61.8419 32.1299 173.5367 174 P 4.1680 0.0000 0.0000 63.2381 31.5561 175.2995 175 D 4.8479 8.5661 122.1715 51.6932 41.9580 173.6334 176 P 4.7282 0.0000 0.0000 65.3432 32.3463 178.7747 177 T 4.1630 8.3357 116.4537 66.4777 68.2402 173.8831 178 P 4.2469 0.0000 0.0000 64.0959 31.2403 176.8050 179 F 4.9668 8.8508 117.5656 56.7538 39.7285 174.6974 180 V 4.4307 7.8382 120.2349 61.2716 33.5811 175.0903 181 T 4.7479 8.1089 122.0792 61.9604 72.1815 172.5895 182 Y 4.5043 8.5400 122.2990 56.3930 39.8357 177.0835 183 F 4.5966 8.7076 128.8837 57.1075 37.8648 173.9291 184 H 4.2531 8.0950 121.4615 58.0742 29.2873 175.2691 185 H 4.2847 7.9922 121.3813 56.3018 30.2968 174.1030 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 2 D 8.22 4.53 0.00 2.77 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 3 A 8.58 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 4 L 8.33 3.99 0.00 1.79 1.74 0.92 1.04 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 5 E 8.18 4.01 0.00 2.05 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 2.30 2.31 0.00 6 L 7.66 4.19 0.00 1.68 1.85 0.92 1.04 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 7 L 7.35 4.64 0.00 1.84 1.66 0.92 0.93 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 8 I 7.37 4.06 1.87 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 1.55 0.82 0.96 0.00 0.00 9 N 9.02 3.97 0.00 2.89 3.16 0.00 0.00 5.62 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 10 R 7.33 3.99 0.00 1.85 2.02 0.00 3.31 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 11 R 7.20 4.33 0.00 1.91 1.91 0.00 3.23 0.00 0.00 3.28 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 12 S 7.70 4.23 0.00 4.01 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 13 A 7.92 4.47 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 14 S 8.11 4.40 0.00 3.88 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 15 R 8.47 3.76 0.00 2.03 2.19 0.00 3.56 0.00 0.00 3.36 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 16 L 8.04 5.20 0.00 1.66 1.66 1.10 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 17 A 8.93 5.11 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 18 E 8.79 4.26 0.00 1.92 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 2.37 2.40 0.00 19 P 0.00 4.70 0.00 2.14 2.07 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 2.09 2.14 0.00 20 A 8.43 4.65 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 21 P 0.00 3.53 0.00 1.59 0.49 0.00 3.48 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.49 0.00 22 T 7.60 4.57 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 1.21 0.00 0.00 23 G 8.30 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 24 E 8.76 3.96 0.00 1.98 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 2.39 2.34 0.00 25 Q 7.65 4.78 0.00 2.22 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.81 0.00 0.00 0.00 0.00 0.00 2.52 2.29 0.00 26 L 7.67 3.80 0.00 1.76 1.70 0.76 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 27 Q 7.97 3.93 0.00 2.24 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.51 2.51 0.00 28 N 8.73 4.30 0.00 3.00 2.83 0.00 0.00 6.99 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 29 I 7.25 3.64 1.87 0.00 0.00 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 1.54 1.00 0.79 0.00 0.00 30 L 7.32 3.41 0.00 1.52 1.38 0.35 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 31 R 7.90 4.01 0.00 1.84 1.96 0.00 3.13 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.86 0.00 32 A 7.68 4.22 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 33 G 7.31 3.71 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 0.00 *35 R 7.83 4.06 0.00 1.79 1.93 0.00 3.23 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 36 A 7.51 4.59 1.09 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 0.00 0.00 37 P 0.00 4.64 0.00 2.19 1.36 0.00 3.89 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 1.96 1.95 0.00 38 D 9.23 4.26 0.00 2.84 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 *45 W 7.65 4.58 0.00 2.71 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 46 H 8.90 4.76 0.00 3.07 3.09 0.00 5.57 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 F 8.70 5.52 0.00 2.97 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 F 9.07 4.71 0.00 2.89 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 49 V 8.62 4.30 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.91 0.00 0.00 50 I 8.73 4.55 1.73 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.64 0.80 0.00 0.00 51 E 8.66 4.87 0.00 1.98 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 2.26 2.32 0.00 52 G 8.98 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 0.00 0.00 0.00 53 E 9.04 4.24 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 54 G 8.23 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 0.00 0.00 0.00 55 R 8.42 3.94 0.00 2.04 1.56 0.00 3.21 0.00 0.00 3.11 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 56 E 8.15 4.16 0.00 2.12 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 0.00 2.49 2.53 0.00 57 R 7.99 3.86 0.00 1.88 2.14 0.00 3.17 0.00 0.00 3.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 58 F 8.25 4.34 0.00 2.96 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 59 S 8.30 3.76 0.00 3.86 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 60 A 7.96 3.94 1.37 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 0.00 0.00 61 V 8.12 3.47 2.24 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 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 P 0.00 4.59 0.00 2.13 2.26 0.00 3.95 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 2.20 2.14 0.00 88 L 8.04 5.00 0.00 1.66 1.61 0.86 1.23 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 89 I 8.60 4.82 1.52 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.38 0.36 0.00 0.00 90 I 8.78 4.90 1.93 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.84 0.99 0.00 0.00 91 T 8.77 4.62 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 92 V 8.80 4.65 2.49 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 1.34 0.00 0.00 1.38 0.00 0.00 93 V 8.81 4.84 2.29 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 1.06 0.00 0.00 0.93 0.00 0.00 94 A 9.03 4.51 0.63 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 95 K 8.42 3.90 0.00 1.60 1.65 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.51 1.33 7.81 *102 V 7.31 3.75 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 0.83 0.00 0.00 0.93 0.00 0.00 103 P 0.00 4.54 0.00 2.13 2.32 0.00 3.36 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 1.06 1.84 0.00 104 R 8.42 3.88 0.00 1.96 2.06 0.00 3.32 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.68 0.00 105 W 8.38 4.38 0.00 3.62 3.25 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 0.00 106 E 6.81 3.27 0.00 1.16 1.61 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 1.91 2.11 0.00 107 Q 7.62 4.08 0.00 2.19 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.69 0.00 0.00 0.00 0.00 0.00 2.56 2.29 0.00 108 E 7.93 4.04 0.00 2.38 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 2.37 2.46 0.00 *110 S 7.95 4.35 0.00 4.24 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 0.00 111 A 8.60 4.37 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 0.00 112 G 7.55 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 0.00 113 C 7.93 4.17 0.00 3.03 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 0.00 114 A 7.87 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 V 7.20 3.25 1.52 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 0.28 0.00 0.00 -0.30 0.00 0.00 *117 A 7.79 4.04 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 *119 Q 7.93 4.08 0.00 2.14 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.19 6.43 0.00 0.00 0.00 0.00 0.00 2.42 2.52 0.00 *121 A 7.99 4.23 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 0.00 0.00 0.00 0.00 0.00 0.00 122 A 7.99 4.12 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 V 8.09 3.90 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 1.34 0.00 0.00 0.99 0.00 0.00 124 A 8.12 4.19 1.32 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 0.00 125 Q 7.71 4.59 0.00 2.54 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 5.56 0.00 0.00 0.00 0.00 0.00 2.35 2.56 0.00 126 G 8.58 3.52 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 0.00 127 F 8.40 4.96 0.00 3.10 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 0.00 128 G 9.04 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.61 4.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 146 F 7.33 4.23 0.00 2.82 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 G 7.93 4.03 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 0.00 0.00 0.00 148 C 8.19 4.56 0.00 3.11 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 0.00 149 R 9.12 4.42 0.00 1.83 1.88 0.00 3.14 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 150 E 8.80 3.98 0.00 1.94 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.25 0.00 151 Q 7.96 4.06 0.00 1.98 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.98 0.00 0.00 0.00 0.00 0.00 2.21 2.32 0.00 152 D 7.23 4.70 0.00 2.93 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 0.00 153 K 8.71 4.54 0.00 1.71 1.49 0.00 1.59 0.00 0.00 1.58 0.00 0.00 2.82 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.28 1.39 7.81 154 I 8.32 4.10 1.94 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.63 0.43 0.00 0.00 155 V 9.27 3.78 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 1.03 0.00 0.00 156 G 6.60 3.11 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 0.00 157 F 7.19 5.15 0.00 2.86 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 0.00 158 L 9.20 5.17 0.00 2.25 1.75 1.24 0.91 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 0.00 159 Y 9.29 4.73 0.00 3.11 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 0.00 160 L 9.25 5.71 0.00 1.48 1.47 0.85 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 161 G 7.97 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 0.00 0.00 0.00 0.00 162 T 8.78 4.88 4.53 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 1.18 0.00 0.00 163 P 0.00 4.58 0.00 1.94 2.01 0.00 3.60 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.18 0.00 164 Q 8.38 4.44 0.00 2.07 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 5.90 0.00 0.00 0.00 0.00 0.00 2.30 2.40 0.00 165 L 8.32 3.13 0.00 1.74 1.62 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 *173 V 8.02 3.81 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 0.82 0.00 0.00 0.94 0.00 0.00 174 P 0.00 4.17 0.00 2.10 2.03 0.00 3.69 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 175 D 8.57 4.85 0.00 2.61 2.62 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 0.00 176 P 0.00 4.73 0.00 2.34 2.37 0.00 3.85 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.03 0.00 177 T 8.34 4.16 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 1.23 0.00 0.00 178 P 0.00 4.25 0.00 1.02 1.68 0.00 3.65 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 1.85 1.96 0.00 179 F 8.85 4.97 0.00 3.01 2.96 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 0.00 180 V 7.84 4.43 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 0.53 0.00 0.00 0.99 0.00 0.00 181 T 8.11 4.75 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 1.27 0.00 0.00 182 Y 8.54 4.50 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 0.00 183 F 8.71 4.60 0.00 2.90 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 0.00 184 H 8.09 4.25 0.00 3.13 3.34 0.00 5.80 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 H 7.99 4.28 0.00 3.19 3.43 0.00 5.95 0.00 0.00 0.00 0.00 6.91 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.