NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2353 8.3049 118.1469 55.0353 32.5728 173.8707 2 F 4.9550 8.8525 117.2439 53.4451 42.7151 173.2144 3 D 5.0942 9.3132 124.5703 50.9578 44.4117 176.4536 4 A 3.8786 8.6348 121.4475 55.6271 18.0455 180.0282 5 F 4.2705 7.8452 115.4833 61.0454 39.2078 178.0277 6 T 4.0597 8.8801 109.4022 64.1806 68.3266 176.4205 7 K 3.0799 8.0372 123.2107 59.2471 32.2525 178.9480 8 V 3.5035 7.2681 117.5684 65.7672 31.3723 177.9758 9 V 3.5947 7.8570 118.3053 66.2084 30.8503 178.1408 10 S 4.0849 8.1970 114.0793 61.6376 62.2614 176.5016 11 Q 3.9716 7.6733 121.3882 58.5206 28.3642 178.2960 12 A 3.8413 8.0316 121.9825 54.9684 18.4177 179.1884 13 D 4.2613 8.4399 116.9874 57.6405 41.0355 178.5298 14 T 3.8872 7.4536 114.8334 66.2532 68.5172 175.1835 15 R 4.2442 7.5379 117.4260 55.4359 30.5447 176.5466 16 G 3.9591 7.9496 105.9335 46.6331 0.0000 173.4542 17 E 4.7690 8.2268 117.5467 54.1653 32.6971 176.0602 18 M 4.4154 8.2429 120.1837 54.1402 33.2235 176.5642 19 L 4.0156 8.3219 121.2588 55.2520 42.4603 178.2460 20 S 4.5091 8.3477 117.3979 57.9747 65.5048 175.5238 21 T 3.8797 8.3265 117.5834 66.5902 68.1023 176.8098 22 A 3.9819 7.9285 122.3008 55.3402 18.5645 179.5841 23 Q 3.9836 8.1130 116.5667 59.0829 28.7598 179.0461 24 I 3.8078 7.8543 121.0016 64.3366 37.0886 178.1934 25 D 4.3513 8.4405 119.8294 57.2867 40.6817 178.6088 26 A 3.9814 8.0197 121.2159 55.3161 18.2997 179.7555 27 L 3.9156 7.8475 116.9642 57.8783 41.5872 179.6609 28 S 4.1318 8.2966 113.2677 61.3314 62.0539 176.0229 29 Q 3.9338 7.9908 121.7785 59.2560 29.0699 177.5767 30 M 4.1217 7.9361 119.3230 58.4922 32.3840 178.2386 31 V 3.6279 8.1574 118.5322 66.1164 31.5350 177.7479 32 A 4.1821 8.2271 118.5635 53.9430 18.5329 178.2067 33 E 4.4429 7.9871 116.2464 56.2432 30.3226 177.7182 34 S 4.1350 7.7229 115.0675 61.8632 62.6345 176.4969 35 N 4.3391 8.1151 119.1463 56.1674 38.3953 177.2479 36 K 3.9920 7.8943 119.4192 59.3812 32.2269 179.3162 37 R 3.9263 7.9439 118.4457 59.6155 30.0950 178.4938 38 L 4.1840 8.1350 118.5557 57.6010 41.5649 179.2360 39 D 4.3758 8.1851 119.0724 57.1475 40.7012 178.4211 40 A 4.0270 8.0955 121.3384 55.3202 18.4156 179.9061 41 V 3.6054 7.8150 116.4277 66.0719 31.6039 177.8448 42 N 4.3405 8.4125 116.8613 56.7356 38.6382 177.1447 43 R 3.9567 8.3722 118.5619 59.3300 30.5280 178.9082 44 I 3.9283 8.0080 119.6064 64.7230 37.1437 178.6481 45 T 3.8790 7.9608 116.5670 66.7922 68.1197 176.8205 46 S 4.3870 8.4628 115.7104 60.3748 62.9696 174.7243 47 N 5.0139 7.8302 118.5734 52.4436 39.7049 176.2755 48 A 4.0186 8.2310 123.4903 55.6538 18.3587 180.7664 49 S 4.0891 8.0118 113.0363 62.0201 62.9043 176.9559 50 T 3.9658 7.8253 118.0428 66.4727 68.3936 176.9119 51 I 3.6935 7.9157 121.8716 64.2377 37.0537 178.7425 52 V 3.5789 7.9958 119.3588 65.9812 31.3778 178.2556 53 S 4.1234 8.1389 114.0222 61.6246 62.8737 176.1165 54 N 4.2831 8.3656 120.2564 55.7528 38.1926 177.3129 55 A 3.8820 7.8624 121.4003 54.9532 18.4417 179.4702 56 A 3.4193 8.0536 119.4538 55.1272 18.5026 179.5658 57 R 3.9564 8.1411 117.4935 59.8530 30.1244 178.5256 58 S 4.0526 7.9834 112.6182 61.3011 62.3803 175.7632 59 L 3.8355 7.9417 123.3110 58.2958 41.5213 179.0576 60 F 4.5464 7.7329 116.4810 60.3401 38.8956 177.3523 61 A 4.2045 8.0423 120.0104 55.2082 18.2693 179.2417 62 E 4.2426 8.2466 116.0962 57.8219 31.0982 177.3772 63 Q 4.6880 8.0207 118.0692 52.7184 29.3222 173.9730 64 P 4.4202 0.0000 0.0000 65.0764 31.9972 179.6484 65 Q 4.0819 8.0948 117.0706 58.7432 28.8526 178.4133 66 L 4.0485 7.9721 118.8901 56.9840 41.6699 177.8091 67 I 4.1448 7.5335 108.7114 60.5159 38.7446 175.7673 68 A 4.0649 7.6953 125.0275 51.0414 18.8072 175.0807 69 P 2.9700 0.0000 0.0000 64.0407 31.5662 176.8506 70 G 4.0675 8.2747 111.6160 45.3776 0.0000 174.9413 71 G 4.4965 8.2764 113.0787 44.6369 0.0000 175.1385 *75 A 4.0612 8.6455 127.8823 51.3530 19.7281 176.1905 76 Y 4.2949 7.7863 118.8282 58.8199 39.9620 174.2766 77 T 3.0740 7.0253 115.1122 61.8919 69.4151 172.8181 78 S 4.0038 8.4336 119.9305 61.8587 62.8677 176.9244 79 R 3.8486 7.8623 120.6344 59.6409 29.7468 178.6557 80 R 3.9178 7.6709 117.8577 59.2301 30.0773 178.5336 81 M 3.9423 8.0287 117.8033 58.7159 32.1466 178.0053 82 A 4.0164 8.2885 120.8547 55.2847 18.4911 179.4913 83 A 3.9527 8.0289 119.1731 55.3528 18.3422 179.4507 84 C 4.1265 8.4754 117.6744 62.6922 31.6865 175.8395 85 L 4.0870 8.5518 121.0578 57.6835 41.1107 179.4795 86 R 3.9050 8.2596 118.9685 59.5575 30.0069 178.2638 87 D 4.4012 8.3685 118.7529 57.5841 40.7826 178.5936 88 M 4.0542 7.9005 118.8513 58.4290 32.0391 178.2149 89 E 3.9057 8.1016 119.0783 59.4795 29.8182 178.5937 90 I 3.6961 8.3835 120.0453 64.8054 37.1915 178.4326 91 I 3.7721 8.1998 120.6021 64.2486 36.9262 178.2133 92 L 3.8837 8.0957 121.2518 58.0922 41.8913 178.9120 93 R 3.5012 8.2376 118.9183 59.7185 29.9471 178.1973 94 Y 3.5146 7.6495 116.2898 60.4662 37.7452 178.5294 95 V 3.3487 7.8529 119.8319 66.1698 31.6356 178.1597 96 T 3.8878 7.7716 109.4572 65.0761 68.3826 175.8003 97 Y 4.3159 7.7056 119.2891 61.0386 37.9000 178.5429 98 A 4.2130 7.8030 122.9750 54.2553 18.0439 179.9451 99 V 3.7536 7.3632 116.3296 66.0722 31.7241 177.8064 100 F 4.2821 8.1939 119.0124 61.4310 39.6113 176.7883 101 A 4.2447 8.5296 120.0581 52.7339 17.9337 178.5549 102 G 4.0024 8.9515 104.7552 45.5332 0.0000 172.8493 103 D 4.7290 7.5898 116.4859 51.6989 44.1862 175.4248 104 A 4.2604 8.7467 125.7780 52.6694 18.9370 179.5820 105 S 4.1334 8.4633 114.3587 61.5704 62.8916 177.1396 106 V 3.5758 7.7909 122.3273 64.2293 31.1347 177.9407 107 L 3.9196 7.8268 120.4098 57.9647 42.2257 178.6250 108 E 3.9346 8.4370 118.7691 59.4803 29.2085 179.2121 109 D 4.2860 8.5102 118.0099 57.0656 41.0910 178.2999 110 R 4.3276 7.7495 114.9622 56.0321 30.9703 176.1991 111 C 4.2084 7.3853 116.3484 60.4917 33.6801 174.6921 112 L 4.1246 7.6834 118.6292 56.1981 41.7556 176.4186 113 N 4.4371 7.6917 117.8258 54.5463 39.1011 175.1413 114 G 4.3472 8.9237 113.2894 45.7433 0.0000 174.6730 115 L 3.6214 7.7044 122.1360 57.9243 41.9316 178.7818 116 R 3.9557 7.8535 118.1619 59.5966 30.0705 178.1775 117 E 4.0019 8.0905 117.8310 59.5718 29.3306 179.3311 118 T 3.8084 7.6739 115.8668 66.9116 68.4157 176.3950 119 Y 4.4931 7.9067 118.6706 60.9258 37.6444 178.0876 120 L 3.9817 8.2750 120.7675 58.2166 42.3125 178.7438 121 A 4.1468 8.0151 119.4685 54.5753 18.3515 178.8601 122 L 4.3773 7.7078 116.3036 55.0027 42.1411 178.0482 123 G 3.9180 8.3432 106.3944 45.6170 0.0000 173.0819 124 T 4.1142 7.6768 116.6008 61.8104 68.9716 173.9599 125 P 4.4836 0.0000 0.0000 62.2212 29.4515 176.6179 126 G 3.5760 8.4417 114.6496 48.5758 0.0000 172.3397 127 S 4.1920 8.0646 115.7249 61.5589 62.8982 176.6775 128 S 4.1882 8.2390 118.7120 60.9712 62.4764 176.7296 129 V 3.5436 7.5244 120.7416 65.6109 31.2378 177.6970 130 A 3.9986 8.0031 120.6296 55.2266 18.4032 179.6484 131 V 3.6047 7.7879 116.8528 66.0841 31.5252 178.4455 132 G 3.5164 7.9825 105.3158 47.8099 0.0000 175.7538 133 V 3.7918 8.2681 121.6764 65.6437 31.6630 178.1241 134 G 3.6616 8.4174 105.7422 47.9351 0.0000 175.7657 135 K 3.9575 7.8286 120.3280 59.4971 31.9815 179.4496 136 M 4.0300 7.9481 118.9791 57.8869 31.7470 178.7103 137 K 2.4800 7.7178 120.3916 58.8704 32.3774 178.6757 138 E 3.8701 7.7844 117.1798 59.2992 29.3739 178.9335 139 A 3.9010 7.8245 121.2407 54.7793 18.3788 179.4590 140 A 3.9462 8.0599 119.5755 55.3585 18.4291 179.8926 141 L 3.9337 8.2694 117.7268 57.8623 41.4351 179.6291 142 A 4.0283 7.8457 119.8745 55.1322 18.3412 179.5068 143 I 3.8305 7.7130 118.4841 64.4589 36.9675 178.8425 144 V 3.6625 7.9231 118.4701 65.9531 31.5254 177.1695 145 N 4.8157 8.3237 113.3730 52.8172 38.5216 174.4122 146 D 4.3573 7.4275 121.2406 53.6956 41.0810 174.3876 147 P 4.3165 0.0000 0.0000 65.0503 31.6622 176.8565 148 A 4.1510 7.9696 122.0104 52.7363 18.9208 176.8713 149 G 3.8980 9.0245 107.8405 46.0597 0.0000 173.4736 150 I 4.2252 7.4094 115.1820 59.5171 40.7656 173.6220 151 T 3.8838 8.5746 123.0281 63.2117 68.5606 172.6870 152 P 4.3539 0.0000 0.0000 62.2532 31.9442 175.8287 153 G 3.9752 7.7470 110.4524 45.7640 0.0000 171.3886 154 D 4.6780 8.3518 119.2986 53.3191 41.7423 175.6465 155 C 4.8140 8.4255 123.8668 59.7636 29.2483 176.0767 156 S 4.0947 8.6357 118.0836 61.8115 62.2980 176.2522 157 A 3.9567 7.9077 122.5944 55.1075 18.2447 179.1908 158 L 3.8660 7.9180 118.1152 58.3634 42.2476 178.8818 159 A 4.1451 8.4408 121.1063 55.1578 18.2764 179.6022 160 S 4.0341 8.1061 111.8310 61.3418 62.5601 176.0337 161 E 3.6654 8.2440 122.1965 59.2395 29.2980 178.8187 162 I 3.9714 8.2670 120.0652 64.3763 37.1177 178.2566 163 A 4.2127 8.1721 121.8935 55.2454 18.2159 179.7943 164 S 4.1029 7.9445 112.6831 61.7704 62.7084 176.5172 165 Y 4.3607 7.3462 120.3027 60.9245 37.6155 178.1275 166 F 4.1197 8.1492 118.5287 60.8047 39.0253 177.5025 167 D 4.5078 8.7579 118.8437 57.3475 40.5168 179.1625 168 R 3.9454 8.2056 118.6196 59.1061 30.2039 178.8112 169 A 4.0290 7.8832 120.5926 55.4096 18.3655 179.5037 170 C 4.2009 8.2578 114.9710 63.0304 28.0550 176.3027 171 A 4.1009 8.1222 120.6535 54.7038 17.9686 179.0944 172 A 4.1653 7.8755 118.6653 54.0169 18.6514 178.4565 173 V 4.3479 7.2926 107.0790 61.3102 33.2868 176.0961 174 S 4.3955 7.8922 120.9210 58.6693 62.7365 173.8738 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 M 8.30 4.24 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.50 0.00 2 F 8.85 4.95 0.00 3.22 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 3 D 9.31 5.09 0.00 3.11 2.87 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 0.00 0.00 0.00 4 A 8.63 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 F 7.85 4.27 0.00 3.29 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 6 T 8.88 4.06 4.54 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 1.35 0.00 0.00 7 K 8.04 3.08 0.00 1.93 1.91 0.00 0.98 0.00 0.00 1.43 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.32 7.81 8 V 7.27 3.50 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 0.92 0.00 0.00 0.90 0.00 0.00 9 V 7.86 3.59 2.24 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 1.10 0.00 0.00 1.03 0.00 0.00 10 S 8.20 4.08 0.00 4.00 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 11 Q 7.67 3.97 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.28 2.44 0.00 12 A 8.03 3.84 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 13 D 8.44 4.26 0.00 2.80 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 T 7.45 3.89 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 15 R 7.54 4.24 0.00 1.82 1.96 0.00 3.29 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.76 0.00 16 G 7.95 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 17 E 8.23 4.77 0.00 1.90 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 2.22 2.33 0.00 18 M 8.24 4.42 0.00 2.01 1.99 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.55 0.00 19 L 8.32 4.02 0.00 1.64 1.63 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 20 S 8.35 4.51 0.00 4.04 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 21 T 8.33 3.88 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 1.26 0.00 0.00 22 A 7.93 3.98 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 23 Q 8.11 3.98 0.00 2.35 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 24 I 7.85 3.81 2.02 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.04 0.93 0.00 0.00 25 D 8.44 4.35 0.00 2.82 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 26 A 8.02 3.98 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 27 L 7.85 3.92 0.00 1.97 1.94 1.07 0.50 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 28 S 8.30 4.13 0.00 3.98 4.08 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 29 Q 7.99 3.93 0.00 2.14 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.74 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 30 M 7.94 4.12 0.00 2.17 1.94 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.44 0.00 31 V 8.16 3.63 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 1.00 0.00 0.00 1.21 0.00 0.00 32 A 8.23 4.18 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 33 E 7.99 4.44 0.00 2.11 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 2.41 2.42 0.00 34 S 7.72 4.13 0.00 4.06 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 35 N 8.12 4.34 0.00 2.80 2.92 0.00 0.00 7.17 7.20 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 36 K 7.89 3.99 0.00 1.93 1.88 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.46 7.81 37 R 7.94 3.93 0.00 1.88 2.13 0.00 3.10 0.00 0.00 3.55 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.81 0.00 38 L 8.13 4.18 0.00 1.78 1.77 0.93 0.94 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 39 D 8.19 4.38 0.00 2.91 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 40 A 8.10 4.03 1.46 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 0.00 0.00 41 V 7.82 3.61 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 1.09 0.00 0.00 1.16 0.00 0.00 42 N 8.41 4.34 0.00 2.89 2.97 0.00 0.00 7.23 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 43 R 8.37 3.96 0.00 1.88 2.01 0.00 3.25 0.00 0.00 3.42 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.82 0.00 44 I 8.01 3.93 1.94 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 1.63 1.20 1.01 0.00 0.00 45 T 7.96 3.88 4.31 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 1.20 0.00 0.00 46 S 8.46 4.39 0.00 3.82 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 47 N 7.83 5.01 0.00 2.83 2.76 0.00 0.00 6.70 7.05 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 48 A 8.23 4.02 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 57 R 8.14 3.96 0.00 2.00 2.12 0.00 3.13 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 58 S 7.98 4.05 0.00 3.96 3.93 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 59 L 7.94 3.84 0.00 1.58 1.34 0.87 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 60 F 7.73 4.55 0.00 3.21 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 61 A 8.04 4.20 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 62 E 8.25 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 2.34 2.50 0.00 63 Q 8.02 4.69 0.00 2.23 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.79 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 64 P 0.00 4.42 0.00 2.22 2.34 0.00 3.72 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.97 0.00 65 Q 8.09 4.08 0.00 2.22 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 6.94 0.00 0.00 0.00 0.00 0.00 2.43 2.34 0.00 66 L 7.97 4.05 0.00 1.96 1.92 1.10 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 67 I 7.53 4.14 1.75 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 1.37 0.65 0.28 0.00 0.00 68 A 7.70 4.06 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 69 P 0.00 2.97 0.00 1.72 1.43 0.00 3.46 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.74 0.00 70 G 8.27 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 71 G 8.28 4.50 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 0.00 *75 A 8.65 4.06 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 76 Y 7.79 4.29 0.00 3.01 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 77 T 7.03 3.07 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 78 S 8.43 4.00 0.00 3.80 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 79 R 7.86 3.85 0.00 1.83 1.89 0.00 3.17 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 80 R 7.67 3.92 0.00 2.02 1.96 0.00 3.21 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 81 M 8.03 3.94 0.00 2.18 2.06 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.53 0.00 82 A 8.29 4.02 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 83 A 8.03 3.95 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 C 8.48 4.13 0.00 3.11 3.27 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 85 L 8.55 4.09 0.00 1.88 1.75 0.98 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 86 R 8.26 3.91 0.00 1.98 2.20 0.00 3.13 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 87 D 8.37 4.40 0.00 2.97 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 M 7.90 4.05 0.00 2.01 2.32 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.91 0.00 89 E 8.10 3.91 0.00 2.07 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 0.00 2.28 2.35 0.00 90 I 8.38 3.70 2.16 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.55 1.06 0.00 0.00 91 I 8.20 3.77 1.93 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 1.44 0.80 0.95 0.00 0.00 92 L 8.10 3.88 0.00 1.90 1.83 1.12 0.78 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 93 R 8.24 3.50 0.00 1.69 1.73 0.00 2.96 0.00 0.00 2.97 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.98 0.00 94 Y 7.65 3.51 0.00 2.96 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 95 V 7.85 3.35 1.82 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 0.25 0.00 0.00 0.50 0.00 0.00 96 T 7.77 3.89 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 1.25 0.00 0.00 97 Y 7.71 4.32 0.00 3.17 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 A 7.80 4.21 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 V 7.36 3.75 2.33 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 0.96 0.00 0.00 1.17 0.00 0.00 100 F 8.19 4.28 0.00 3.11 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 0.00 101 A 8.53 4.24 1.48 0.00 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 0.00 0.00 0.00 0.00 0.00 127 S 8.06 4.19 0.00 4.06 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 0.00 128 S 8.24 4.19 0.00 4.00 3.93 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 0.00 129 V 7.52 3.54 2.26 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 1.21 0.00 0.00 0.58 0.00 0.00 130 A 8.00 4.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 V 7.79 3.60 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 0.96 0.00 0.00 0.98 0.00 0.00 132 G 7.98 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 0.00 133 V 8.27 3.79 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 1.34 0.00 0.00 1.05 0.00 0.00 134 G 8.42 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 0.00 135 K 7.83 3.96 0.00 1.96 1.80 0.00 1.58 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.59 7.81 136 M 7.95 4.03 0.00 2.18 2.32 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.72 0.00 137 K 7.72 2.48 0.00 1.11 1.68 0.00 1.64 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.16 0.97 7.81 138 E 7.78 3.87 0.00 2.19 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 2.38 2.25 0.00 139 A 7.82 3.90 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 0.00 140 A 8.06 3.95 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 L 8.27 3.93 0.00 1.60 1.71 0.88 0.98 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 0.00 142 A 7.85 4.03 1.36 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 0.00 143 I 7.71 3.83 2.05 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.80 0.97 0.00 0.00 144 V 7.92 3.66 2.24 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 0.87 0.00 0.00 1.04 0.00 0.00 145 N 8.32 4.82 0.00 2.79 2.85 0.00 0.00 7.01 7.61 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 0.00 146 D 7.43 4.36 0.00 2.63 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 0.00 147 P 0.00 4.32 0.00 2.22 2.18 0.00 3.82 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 148 A 7.97 4.15 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 0.00 149 G 9.02 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 0.00 150 I 7.41 4.23 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.62 0.97 0.00 0.00 151 T 8.57 3.88 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 1.22 0.00 0.00 152 P 0.00 4.35 0.00 2.04 2.00 0.00 3.81 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 2.03 2.10 0.00 153 G 7.75 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 D 8.35 4.68 0.00 2.62 2.59 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 0.00 155 C 8.43 4.81 0.00 3.01 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 S 8.64 4.09 0.00 4.00 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 0.00 157 A 7.91 3.96 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 0.00 158 L 7.92 3.87 0.00 1.78 1.85 0.97 1.17 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 0.00 159 A 8.44 4.15 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 0.00 160 S 8.11 4.03 0.00 3.90 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 0.00 161 E 8.24 3.67 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.14 0.00 162 I 8.27 3.97 2.12 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 1.63 1.49 1.21 0.00 0.00 163 A 8.17 4.21 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 S 7.94 4.10 0.00 3.97 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 0.00 165 Y 7.35 4.36 0.00 3.06 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 0.00 166 F 8.15 4.12 0.00 3.26 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 0.00 167 D 8.76 4.51 0.00 2.84 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 0.00 168 R 8.21 3.95 0.00 2.15 2.04 0.00 3.33 0.00 0.00 3.45 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.91 0.00 169 A 7.88 4.03 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 0.00 170 C 8.26 4.20 0.00 3.21 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 0.00 171 A 8.12 4.10 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 0.00 172 A 7.88 4.17 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 V 7.29 4.35 2.33 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 0.90 0.00 0.00 1.17 0.00 0.00 174 S 7.89 4.40 0.00 3.94 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 * Residues marked with a * may have inaccurate shift predictions.