NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3799 8.3049 118.1873 55.3306 32.6986 174.0438 2 T 4.1218 8.0007 116.0948 61.2488 70.2796 170.2501 3 E 4.9818 9.2261 128.4931 54.5517 32.4085 174.0326 4 Y 4.9946 8.7323 123.6369 56.2142 41.5708 174.8550 5 K 4.8686 9.5358 124.5299 55.3672 33.3964 175.2749 6 L 5.0109 9.0481 126.4748 52.7987 44.2662 175.9398 7 V 4.6800 8.3996 123.5612 61.0089 34.0286 174.2274 8 V 4.5842 8.7623 128.4141 61.7549 32.8131 174.9303 9 V 4.3886 10.0272 121.5271 59.0831 35.4414 175.0059 10 G 4.1491 8.2101 108.6688 43.5057 0.0000 172.5380 11 A 4.2097 8.2868 123.6576 51.7059 18.9392 177.5638 12 G 3.7102 8.6267 109.0201 47.2587 0.0000 174.1003 13 G 3.9575 8.9644 111.1854 46.0976 0.0000 174.9512 14 V 3.7205 7.4165 113.6567 62.3559 31.7934 177.0743 15 G 4.3071 8.4476 109.5542 45.7049 0.0000 176.0004 16 K 3.9616 8.4849 121.7149 59.3351 31.9488 179.3145 17 S 4.2135 8.0334 114.6907 61.3312 62.8953 176.1104 18 A 3.9757 8.0324 123.0257 55.3436 18.1156 179.3661 19 L 3.9988 8.1592 117.4074 58.5021 41.7370 180.1186 20 T 3.7598 7.6136 115.4507 66.5454 68.3304 177.1290 21 I 3.4413 7.8818 122.1538 64.1195 36.6094 178.0561 22 Q 4.1168 8.0821 121.8546 58.4755 28.5962 178.4285 23 L 3.8038 7.4433 119.8965 58.1188 42.1679 178.7391 24 I 3.8828 7.4555 118.3000 63.6483 37.3851 176.9600 25 Q 4.4643 8.3367 114.7885 54.7425 29.8799 175.3647 26 N 4.5583 7.9284 113.3217 53.6160 36.9429 173.2144 27 H 4.8691 8.0130 116.5758 54.1512 32.3992 171.8887 28 F 4.4525 8.6218 128.7735 56.9857 39.6951 175.3688 29 V 3.7150 7.5733 122.4601 59.8988 31.0500 175.5258 30 D 3.9282 7.9134 125.0618 55.5692 41.8124 176.7104 31 E 3.7541 7.6123 119.6962 58.1060 29.4894 176.0491 *38 D 4.5288 8.3239 115.1585 54.0858 43.5350 175.1236 39 S 5.3231 8.2485 115.5308 56.8476 65.7947 172.6062 40 Y 4.9274 9.2408 119.2737 56.4303 42.2325 174.4909 41 R 5.7092 8.3619 118.0403 53.8834 34.6537 174.8538 42 K 4.4432 8.2965 120.5629 55.5774 35.8444 173.7229 43 Q 4.9291 8.7350 128.9686 55.4504 29.9544 174.9761 44 V 4.5940 8.8795 118.8836 59.6238 36.6544 174.4044 45 V 4.6496 8.2523 122.3426 61.3450 33.1499 175.0843 46 I 4.2432 8.0741 128.3821 60.5954 39.9277 175.3777 47 D 4.4628 9.7913 125.6182 55.4396 38.3460 174.7201 48 G 3.8139 8.5407 106.1094 46.3061 0.0000 174.1469 49 E 4.5845 7.9103 116.7568 53.7705 31.4903 179.6042 50 T 4.7874 8.3957 120.0720 61.2922 68.2427 173.1607 51 C 4.9161 9.2892 122.3039 56.9906 34.1420 172.3531 52 L 4.9184 9.2424 122.9588 53.4755 43.6068 175.0345 53 L 4.8305 9.1800 128.0422 54.0070 43.4345 175.4058 54 D 5.2076 9.3573 125.0363 52.8724 43.0453 174.7185 55 I 4.9497 8.7846 128.4766 59.6693 39.4145 174.6303 56 L 4.9664 9.0192 130.5612 53.6543 43.6507 174.4381 57 D 5.1560 9.1689 127.9208 53.2638 41.9922 176.0476 58 T 4.6252 8.1513 115.3811 60.3955 71.0092 174.0611 59 A 4.5364 8.5298 124.8255 51.1245 20.0508 177.9146 60 G 4.3200 8.1712 110.0285 42.9124 0.0000 172.3296 *72 M 4.7931 8.2090 125.1398 55.4882 34.1306 178.3868 73 R 4.0439 8.1183 117.0821 58.9835 30.4075 177.1257 74 T 4.2467 7.9115 106.3181 62.5307 69.6037 175.3142 75 G 3.4921 7.9326 112.5514 45.8706 0.0000 173.2186 76 E 4.4662 8.9373 124.0489 57.6067 30.9399 176.8583 77 G 4.2986 7.4059 105.2174 44.8502 0.0000 171.9807 78 F 5.4141 9.2572 121.8323 55.3616 42.7869 174.1010 79 L 4.7739 8.8555 123.7710 53.8086 43.2558 175.4155 80 C 4.9282 9.3472 123.3794 58.3527 29.8235 172.9164 81 V 4.9394 8.8579 125.6822 60.9410 33.6171 174.6499 82 F 5.2320 9.1657 122.0903 55.0402 42.0347 173.3647 83 A 5.2279 8.7157 120.5474 50.0014 20.9456 177.9077 84 I 4.1517 8.8644 115.6365 62.4153 38.0135 176.9572 85 N 4.9377 8.0955 117.6271 52.4488 37.0278 174.5414 86 N 4.8679 8.2064 118.1737 51.5028 40.0859 174.5504 87 T 3.9897 8.3788 122.6805 66.4423 68.6734 176.0623 88 K 4.4409 8.4409 122.5114 59.0289 32.1144 178.9079 89 S 4.3314 8.4028 113.7317 61.3247 63.2999 175.9541 90 F 4.1437 8.1026 123.6191 60.9910 38.9673 177.1879 91 E 3.8624 8.3034 118.1845 59.1417 29.2833 178.8155 92 D 4.4299 8.0604 118.6302 56.7078 40.8611 178.5815 93 I 3.9949 7.4374 120.5511 64.4832 37.0957 177.6315 94 H 4.2522 8.0923 120.0973 58.8633 29.7168 176.5115 95 H 3.9465 7.9537 119.7413 59.5372 29.6604 176.8628 96 Y 3.9170 7.6340 117.9016 61.0196 37.7671 178.3539 97 R 3.7389 7.9269 119.6374 59.2763 30.1115 178.4775 98 E 3.8205 7.8394 118.2628 59.1670 29.5813 178.8701 99 Q 3.8611 7.8885 119.5999 59.1505 28.9427 178.5911 100 I 3.4590 7.4511 120.8153 64.2339 37.1134 178.6288 101 K 3.9582 7.8503 119.3497 59.0581 31.7977 179.5999 102 R 3.7734 7.9178 119.1949 59.2967 29.8482 178.7440 103 V 3.6442 7.2946 116.3165 66.0666 31.7800 177.8821 104 K 4.0864 8.0816 115.5489 56.4332 32.9039 176.1523 105 D 4.3805 7.4125 116.9536 54.5214 39.9463 172.6454 106 S 4.6724 7.9389 110.7940 57.2451 66.1798 173.0318 107 E 4.2454 8.7562 124.2145 57.5631 30.6833 176.6164 108 D 4.9273 7.4378 116.7156 52.9032 40.8787 176.1403 109 V 3.7617 7.2764 119.3445 61.5268 33.0363 173.1050 110 P 4.3583 0.0000 0.0000 63.7641 32.0380 175.0770 111 M 5.5087 8.5957 122.9826 53.6538 36.5811 174.7703 112 V 4.6018 8.8556 121.2305 61.0537 35.2200 173.9381 113 L 5.0641 8.9992 130.1486 54.2268 43.6585 175.1684 114 V 4.4723 9.1829 126.8639 61.1850 34.3812 174.5498 115 G 3.2224 8.5882 116.8172 44.4709 0.0000 172.4498 116 N 5.1285 8.6922 126.8182 51.7323 41.3535 174.5266 117 K 4.1800 8.5390 117.0093 57.5971 29.1266 177.5045 118 C 4.3737 8.1933 113.2811 59.6067 29.5194 173.8329 119 D 4.4990 7.7695 119.4587 54.5809 39.8762 176.5536 120 L 4.3945 7.5888 120.2904 53.0778 42.7615 175.3839 121 P 4.5657 0.0000 0.0000 63.3012 33.5152 175.2533 122 S 3.7066 8.6396 110.4281 59.4827 60.0937 172.7284 123 R 4.0996 8.1847 119.4871 57.1478 30.2336 175.6966 124 T 4.4451 8.8164 114.1647 61.0433 70.4790 174.0556 125 V 4.1156 7.5326 121.9461 60.7246 33.1199 175.3698 126 D 4.5705 8.1634 126.7940 54.3412 42.7925 177.5591 127 T 3.9586 8.2779 118.5570 66.6090 68.5028 177.2307 128 K 3.8924 7.8633 121.2269 59.2958 32.2782 178.7423 129 Q 3.8537 7.8355 117.6544 58.9477 28.6865 178.5452 130 A 3.9493 7.1746 121.2634 55.1921 18.3264 179.5767 131 Q 3.7190 7.8128 116.8220 59.2083 28.7285 179.0466 132 D 4.2912 8.1690 120.1910 57.1577 40.6499 178.5783 133 L 3.6264 7.7709 119.8073 57.6298 42.2138 178.6980 134 A 4.1295 7.9755 120.9099 55.2851 18.3221 179.5524 135 R 3.8397 7.9511 117.4499 59.5643 29.8370 178.6111 136 S 4.2093 7.7046 112.8207 60.4501 63.2802 174.9493 137 Y 4.8795 8.1343 119.5592 56.8399 38.1598 176.2207 138 G 3.8419 7.8011 108.0810 46.4855 0.0000 173.4550 139 I 4.6521 7.7016 110.9468 57.7667 40.6007 173.0998 140 P 4.7271 0.0000 0.0000 62.3890 32.8298 174.9395 141 F 5.5880 8.7210 123.2865 56.7045 42.1933 174.2873 142 I 4.2139 7.9634 125.2591 59.2806 41.4955 173.6377 143 E 4.6743 8.2098 126.9969 55.1586 30.6171 175.1133 144 T 4.9594 8.6018 115.9477 60.0441 73.1965 172.6594 145 S 4.6539 8.8903 116.6941 56.6135 65.0462 174.8464 146 A 4.1150 8.2908 130.4403 54.4867 18.5860 178.6559 147 K 3.0390 7.6424 116.8002 59.1028 32.3445 178.0196 148 T 3.9210 7.4309 106.7208 61.8710 69.4130 175.6510 149 R 3.9233 7.9666 121.9289 55.9009 29.9924 175.1470 150 Q 3.9645 7.5347 118.4577 58.4972 29.2750 177.4146 151 G 3.8709 8.9001 112.2971 46.2084 0.0000 175.1487 152 V 3.5579 7.4560 119.4267 66.1620 31.5513 177.5481 153 D 4.0426 7.8621 117.8956 57.2237 40.6265 178.0825 154 D 4.1847 7.8871 117.6389 57.3792 41.2140 178.0917 155 A 3.8718 8.0284 121.1171 55.1802 18.4681 179.7284 156 F 4.0581 7.8858 116.1474 60.9933 39.0904 177.7620 157 Y 4.3765 8.6679 116.7784 61.3835 37.6096 178.7021 158 T 3.9048 8.5067 117.2990 66.5106 68.5661 176.4407 159 L 3.9417 7.8096 121.8355 58.0468 41.9972 179.2065 160 V 3.2105 7.6628 117.8248 65.9859 31.5142 178.2898 161 R 3.8675 7.9194 117.7318 59.1764 29.8200 178.9625 162 E 4.0093 8.1158 118.6006 59.3703 29.5335 179.4331 163 I 3.7558 7.6957 119.8849 64.5141 36.9709 178.7935 164 R 4.0931 7.9628 117.8062 58.8098 29.8739 178.9965 165 K 4.1667 7.6902 117.9082 59.5963 32.2207 178.4793 166 H 4.3218 8.1404 117.7970 58.5262 29.8337 175.6366 167 K 4.2927 7.8962 124.1547 57.0991 32.9325 176.2810 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 4.38 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.53 0.00 2 T 8.00 4.12 4.02 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 0.53 0.00 0.00 3 E 9.23 4.98 0.00 1.86 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.27 0.00 4 Y 8.73 4.99 0.00 2.93 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 5 K 9.54 4.87 0.00 1.69 1.75 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.56 7.81 6 L 9.05 5.01 0.00 1.64 1.60 1.12 0.64 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 7 V 8.40 4.68 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 1.15 0.00 0.00 0.66 0.00 0.00 8 V 8.76 4.58 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 0.89 0.00 0.00 1.04 0.00 0.00 9 V 10.03 4.39 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 0.84 0.00 0.00 0.89 0.00 0.00 10 G 8.21 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 0.00 0.00 0.00 11 A 8.29 4.21 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 12 G 8.63 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 13 G 8.96 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 14 V 7.42 3.72 2.12 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 0.81 0.00 0.00 1.02 0.00 0.00 15 G 8.45 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 0.00 0.00 0.00 0.00 16 K 8.48 3.96 0.00 1.84 2.06 0.00 1.83 0.00 0.00 1.73 0.00 0.00 3.18 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.53 7.81 17 S 8.03 4.21 0.00 3.87 3.91 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 18 A 8.03 3.98 1.47 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 0.00 0.00 19 L 8.16 4.00 0.00 1.99 1.94 0.86 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 20 T 7.61 3.76 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 0.67 0.00 0.00 21 I 7.88 3.44 1.80 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 1.56 0.99 0.93 0.00 0.00 22 Q 8.08 4.12 0.00 2.35 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.46 2.27 0.00 23 L 7.44 3.80 0.00 1.38 1.48 0.70 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.46 3.88 1.70 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.69 0.96 0.00 0.00 25 Q 8.34 4.46 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 26 N 7.93 4.56 0.00 2.83 2.91 0.00 0.00 6.66 9.28 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 27 H 8.01 4.87 0.00 3.15 3.12 0.00 5.85 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 F 8.62 4.45 0.00 2.88 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 29 V 7.57 3.71 1.92 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 0.68 0.00 0.00 0.76 0.00 0.00 30 D 7.91 3.93 0.00 2.48 2.57 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 0.00 0.00 0.00 0.00 31 E 7.61 3.75 0.00 1.90 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 0.00 2.26 2.31 0.00 *38 D 8.32 4.53 0.00 2.73 2.43 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 39 S 8.25 5.32 0.00 3.79 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 40 Y 9.24 4.93 0.00 2.87 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 41 R 8.36 5.71 0.00 1.65 1.78 0.00 3.29 0.00 0.00 3.81 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.45 0.00 42 K 8.30 4.44 0.00 1.77 1.57 0.00 1.63 0.00 0.00 1.72 0.00 0.00 2.81 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.41 1.41 7.81 43 Q 8.73 4.93 0.00 2.10 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.57 0.00 0.00 0.00 0.00 0.00 2.30 2.58 0.00 44 V 8.88 4.59 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 0.76 0.00 0.00 0.88 0.00 0.00 45 V 8.25 4.65 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.91 0.00 0.00 46 I 8.07 4.24 1.69 0.00 0.00 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 0.08 0.06 0.77 0.00 0.00 47 D 9.79 4.46 0.00 2.76 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 G 8.54 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 49 E 7.91 4.58 0.00 1.89 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 0.00 2.14 2.08 0.00 50 T 8.40 4.79 4.23 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 1.20 0.00 0.00 51 C 9.29 4.92 0.00 3.21 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 52 L 9.24 4.92 0.00 1.71 1.53 0.92 0.04 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 53 L 9.18 4.83 0.00 1.70 1.64 1.02 0.89 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 54 D 9.36 5.21 0.00 2.69 2.66 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 55 I 8.78 4.95 2.01 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.58 1.11 0.00 0.00 56 L 9.02 4.97 0.00 1.76 1.55 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 57 D 9.17 5.16 0.00 2.88 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 T 8.15 4.63 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 1.29 0.00 0.00 59 A 8.53 4.54 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 60 G 8.17 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *72 M 8.21 4.79 0.00 2.23 2.25 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.73 0.00 73 R 8.12 4.04 0.00 1.81 2.01 0.00 3.25 0.00 0.00 3.30 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 74 T 7.91 4.25 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 1.24 0.00 0.00 75 G 7.93 3.49 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 76 E 8.94 4.47 0.00 1.98 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 2.35 2.29 0.00 77 G 7.41 4.30 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 0.00 78 F 9.26 5.41 0.00 2.90 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 79 L 8.86 4.77 0.00 1.45 1.43 -0.15 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 80 C 9.35 4.93 0.00 2.93 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.86 4.94 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 0.93 0.00 0.00 0.94 0.00 0.00 82 F 9.17 5.23 0.00 3.36 3.39 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 83 A 8.72 5.23 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 84 I 8.86 4.15 1.94 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 1.50 1.15 0.89 0.00 0.00 85 N 8.10 4.94 0.00 2.85 2.93 0.00 0.00 5.76 8.04 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 86 N 8.21 4.87 0.00 2.80 2.81 0.00 0.00 7.21 7.07 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 87 T 8.38 3.99 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 1.35 0.00 0.00 88 K 8.44 4.44 0.00 1.87 2.00 0.00 1.79 0.00 0.00 1.87 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.38 7.81 89 S 8.40 4.33 0.00 4.28 4.14 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 90 F 8.10 4.14 0.00 2.70 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 91 E 8.30 3.86 0.00 2.26 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 2.34 2.55 0.00 92 D 8.06 4.43 0.00 3.14 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 93 I 7.44 3.99 1.75 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.06 1.05 0.00 0.00 94 H 8.09 4.25 0.00 3.15 3.27 0.00 5.72 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 H 7.95 3.95 0.00 3.09 3.26 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 Y 7.63 3.92 0.00 3.19 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 97 R 7.93 3.74 0.00 1.62 1.77 0.00 2.27 0.00 0.00 2.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.30 0.00 98 E 7.84 3.82 0.00 1.98 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 0.00 2.13 2.15 0.00 99 Q 7.89 3.86 0.00 1.93 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.82 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 100 I 7.45 3.46 1.69 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.29 0.18 0.00 0.00 101 K 7.85 3.96 0.00 1.70 1.86 0.00 1.45 0.00 0.00 1.49 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.52 1.33 7.81 102 R 7.92 3.77 0.00 1.88 2.04 0.00 3.06 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 103 V 7.29 3.64 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 0.90 0.00 0.00 0.98 0.00 0.00 104 K 8.08 4.09 0.00 1.77 1.86 0.00 1.99 0.00 0.00 1.80 0.00 0.00 3.19 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.54 1.55 7.81 105 D 7.41 4.38 0.00 2.78 2.66 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 0.00 106 S 7.94 4.67 0.00 3.85 3.64 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.76 4.25 0.00 2.00 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 2.25 2.22 0.00 108 D 7.44 4.93 0.00 2.62 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.28 3.76 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 0.94 0.00 0.00 0.88 0.00 0.00 110 P 0.00 4.36 0.00 2.28 2.00 0.00 3.57 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 2.22 2.02 0.00 111 M 8.60 5.51 0.00 1.89 1.92 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.60 0.00 112 V 8.86 4.60 2.03 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 0.84 0.00 0.00 0.95 0.00 0.00 113 L 9.00 5.06 0.00 2.09 2.02 1.36 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 114 V 9.18 4.47 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 0.81 0.00 0.00 0.79 0.00 0.00 115 G 8.59 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 0.00 0.00 0.00 116 N 8.69 5.13 0.00 2.68 2.80 0.00 0.00 7.08 6.89 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 0.00 117 K 8.54 4.18 0.00 2.01 1.89 0.00 1.91 0.00 0.00 1.90 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.43 1.41 7.81 118 C 8.19 4.37 0.00 3.02 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 0.00 119 D 7.77 4.50 0.00 2.72 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 0.00 120 L 7.59 4.39 0.00 1.79 1.63 0.94 0.88 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 0.00 121 P 0.00 4.57 0.00 2.17 2.09 0.00 3.91 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 122 S 8.64 3.71 0.00 4.04 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 0.00 123 R 8.18 4.10 0.00 1.77 1.85 0.00 3.18 0.00 0.00 3.39 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.78 0.00 124 T 8.82 4.45 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 1.30 0.00 0.00 125 V 7.53 4.12 2.12 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 -0.16 0.00 0.00 0.90 0.00 0.00 126 D 8.16 4.57 0.00 2.60 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 0.00 0.00 0.00 0.00 127 T 8.28 3.96 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 128 K 7.86 3.89 0.00 1.78 1.74 0.00 1.70 0.00 0.00 1.78 0.00 0.00 3.12 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.50 7.81 129 Q 7.84 3.85 0.00 1.91 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.36 2.30 0.00 130 A 7.17 3.95 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 Q 7.81 3.72 0.00 2.21 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.77 0.00 0.00 0.00 0.00 0.00 2.49 2.49 0.00 132 D 8.17 4.29 0.00 2.76 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 0.00 133 L 7.77 3.63 0.00 1.65 1.67 0.57 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 134 A 7.98 4.13 1.56 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 0.00 0.00 135 R 7.95 3.84 0.00 1.99 2.10 0.00 3.08 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 136 S 7.70 4.21 0.00 4.00 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 0.00 137 Y 8.13 4.88 0.00 3.15 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 0.00 138 G 7.80 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.70 4.65 2.18 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.96 1.05 0.00 0.00 140 P 0.00 4.73 0.00 2.14 2.04 0.00 3.75 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 2.14 2.12 0.00 141 F 8.72 5.59 0.00 3.01 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 0.00 142 I 7.96 4.21 1.61 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.67 0.72 0.00 0.00 143 E 8.21 4.67 0.00 1.78 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.23 0.00 144 T 8.60 4.96 4.14 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 1.07 0.00 0.00 145 S 8.89 4.65 0.00 3.78 3.58 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 0.00 146 A 8.29 4.12 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.64 3.04 0.00 0.92 1.41 0.00 1.37 0.00 0.00 1.49 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.92 0.21 7.81 148 T 7.43 3.92 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 1.09 0.00 0.00 149 R 7.97 3.92 0.00 2.02 2.05 0.00 3.08 0.00 0.00 3.05 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.68 0.00 150 Q 7.53 3.96 0.00 2.04 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.59 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 151 G 8.90 3.87 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 0.00 0.00 0.00 152 V 7.46 3.56 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.97 0.00 0.00 153 D 7.86 4.04 0.00 2.38 1.71 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 0.00 154 D 7.89 4.18 0.00 2.59 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 A 8.03 3.87 1.16 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 0.00 0.00 156 F 7.89 4.06 0.00 3.14 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 0.00 157 Y 8.67 4.38 0.00 2.91 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 0.00 158 T 8.51 3.90 4.40 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 1.21 0.00 0.00 159 L 7.81 3.94 0.00 1.80 1.81 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 160 V 7.66 3.21 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 0.78 0.00 0.00 161 R 7.92 3.87 0.00 2.08 1.96 0.00 3.20 0.00 0.00 3.18 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.88 0.00 162 E 8.12 4.01 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 2.54 2.51 0.00 163 I 7.70 3.76 1.80 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 1.67 1.22 1.07 0.00 0.00 164 R 7.96 4.09 0.00 1.90 2.02 0.00 3.12 0.00 0.00 3.25 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.68 0.00 165 K 7.69 4.17 0.00 1.95 1.89 0.00 1.73 0.00 0.00 1.65 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.69 7.81 166 H 8.14 4.32 0.00 3.31 3.59 0.00 5.74 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 K 7.90 4.29 0.00 2.03 1.85 0.00 1.78 0.00 0.00 1.90 0.00 0.00 3.31 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.62 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.