NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 38 T 4.4092 8.0333 117.3813 63.3330 69.7588 174.6505 39 Q 3.6829 8.9614 125.3101 57.5830 28.9926 175.9863 40 L 4.4010 8.3122 118.4864 54.7640 42.8132 177.9423 41 S 4.1463 8.0248 116.3812 61.8621 62.7097 175.9949 42 Q 3.9908 8.0421 121.0705 59.4269 28.7639 178.3077 43 S 4.4515 8.0794 115.3454 61.9880 63.0577 176.6840 44 I 3.8375 8.5511 122.4260 64.4416 36.5799 178.4191 45 A 4.0124 8.3197 122.7451 54.5140 18.2724 179.0365 46 E 3.6571 8.6790 118.0904 58.4158 29.7482 177.4623 47 F 4.7603 8.1848 114.6885 57.5187 41.1174 175.5155 48 H 4.9739 8.1151 116.3702 55.4893 29.6226 172.8414 49 T 4.5678 7.5017 116.1592 61.8947 70.3698 173.2440 50 Y 4.7866 8.1658 122.3667 55.6447 43.0752 176.2368 51 Q 4.0606 9.3586 121.7824 57.8202 27.7604 178.3833 *55 G 3.8714 9.0422 112.0914 46.8228 0.0000 173.6897 56 R 5.0501 8.1303 118.0101 54.7915 32.3448 176.6013 57 C 4.9737 9.1914 117.1819 56.5898 32.9565 173.0819 58 S 4.8816 8.3035 115.3645 55.7025 66.2041 172.8971 59 S 4.4583 7.0667 113.5284 56.8991 65.7838 172.2546 60 L 5.2338 8.4315 127.1475 53.2585 44.3999 175.2843 61 L 5.0409 9.2911 125.4812 52.9392 45.0910 175.2640 62 A 5.2332 8.4916 122.0928 50.4512 22.6180 175.4119 63 Q 4.4639 8.7825 121.1085 54.6929 32.7382 173.7857 64 R 4.8253 8.7268 127.0996 56.0301 31.5419 175.3963 65 I 4.7188 8.7645 125.5815 59.5085 40.9932 175.8872 66 H 4.9599 9.3366 127.6339 53.6943 27.0391 174.0538 67 A 4.7360 7.2079 122.9153 49.1326 22.8162 174.3269 68 P 4.5791 0.0000 0.0000 61.5780 33.4464 176.2977 69 P 4.4036 0.0000 0.0000 65.4513 31.0862 178.4211 70 E 4.0685 8.2229 118.5800 59.4404 29.5384 178.6577 71 T 3.8824 7.9714 115.2338 66.7741 68.5878 176.5837 72 V 3.5793 7.7111 119.6009 65.7122 31.5129 177.8589 73 W 4.3460 8.7860 128.8987 60.5032 30.2968 178.0428 74 S 3.8909 8.3083 113.6511 60.9820 62.3777 176.2958 75 V 3.7476 7.2004 121.1983 65.3338 31.2818 177.9548 76 V 3.3518 7.2776 117.0384 65.9367 31.4279 177.8713 77 R 3.6424 7.1728 113.8933 57.2187 30.4098 178.0726 78 R 4.2591 7.2570 120.5472 54.7003 28.2683 176.2923 79 F 4.0906 8.5034 125.3848 60.7367 39.8703 175.7126 80 D 4.1557 8.0450 117.3189 54.0357 40.0821 176.0602 81 R 5.0121 8.5017 119.9293 53.8231 31.1468 175.4615 82 P 4.1720 0.0000 0.0000 65.4618 31.6477 178.1872 83 Q 3.9668 7.8120 116.4139 58.1186 28.7425 178.3375 84 I 3.7953 7.6509 120.2109 63.7079 37.1649 176.2249 85 Y 4.7369 7.5451 114.1391 55.9454 39.5103 175.3771 86 K 3.9501 7.6603 122.5278 55.6676 32.7871 176.9738 87 H 3.7961 9.2351 125.1310 58.9390 29.8310 175.8878 88 F 4.7669 7.9346 114.6893 57.1103 39.4505 174.9062 89 I 4.4361 7.3445 123.0685 60.7382 37.3018 175.7924 90 K 4.3668 8.9362 126.5355 58.7261 32.9829 176.9774 91 S 4.5991 7.5634 112.1889 57.4545 66.7954 172.6989 92 C 4.9737 8.2773 119.4462 57.8200 34.2945 172.4286 93 N 5.1377 9.3770 123.8092 51.5778 41.1613 174.1525 94 V 4.7032 7.9319 121.1140 60.3606 35.1886 174.0922 95 S 4.6254 8.6866 115.9059 56.6489 64.4679 173.5028 96 E 3.9629 8.6218 119.8087 58.1591 29.8328 177.0838 97 D 4.3755 8.7300 120.9930 54.5967 38.3919 174.2227 98 F 4.0196 8.2192 118.1806 59.1407 39.9381 174.4733 99 E 3.9027 7.8387 127.4301 54.9829 28.4219 175.8155 100 M 4.0595 7.6756 124.2674 54.5067 31.1102 175.2477 101 R 4.6005 7.6102 122.6040 53.4088 34.6066 174.9405 102 V 3.6641 8.2937 119.9846 64.9432 31.6764 176.6261 103 G 4.0109 9.2642 115.3895 45.4075 0.0000 173.4843 104 C 4.6406 8.0934 115.5596 58.5192 31.0124 172.6480 105 T 5.6389 8.6520 109.4099 60.2960 71.8596 172.8570 106 R 4.8081 8.9796 116.9527 55.0209 33.5070 173.3744 107 D 5.3393 9.1241 120.9419 52.8248 43.3883 175.7450 108 V 4.6632 8.6245 117.0484 59.7030 34.5754 174.4585 109 N 5.3787 9.2741 121.4608 51.6577 41.0094 174.3616 110 V 5.0372 8.0981 116.0589 58.8862 35.1281 175.6210 111 I 3.9634 8.3692 116.2440 60.9893 38.0694 176.3241 112 S 4.1793 8.4425 119.2198 59.5526 63.2084 174.8239 113 G 3.9749 8.7858 109.6540 45.3587 0.0000 173.5566 114 L 4.4476 7.1219 118.6781 52.0559 43.8360 174.8236 115 P 4.1327 0.0000 0.0000 64.7752 31.3551 176.8384 116 A 4.6958 7.4590 118.6842 50.3355 22.2318 174.9580 117 N 4.9210 8.5314 115.3465 52.9595 38.9089 173.8539 118 T 5.1151 7.6205 112.8859 60.8573 71.1608 172.5951 119 S 4.5990 8.7735 119.9108 56.6254 66.4836 172.3488 120 R 5.0845 8.6523 126.8902 54.9393 31.8635 174.5053 121 E 5.4777 9.2947 125.1223 54.6560 34.4393 174.5867 122 R 5.2835 9.3456 121.8007 54.5092 33.8469 174.0551 123 L 4.3379 8.7795 128.7502 55.0219 42.4186 176.5523 124 D 4.7144 9.2252 126.8468 55.7742 42.5164 177.1012 125 L 4.8873 7.6187 116.0407 53.2223 46.6384 176.0693 126 L 4.6182 8.2735 122.5791 54.7954 44.4698 173.8468 127 D 4.8291 9.3757 127.5807 52.6712 43.2374 175.9386 128 D 4.7957 9.0418 126.3186 56.4475 41.5694 177.9414 129 D 4.3931 8.2543 118.6769 56.5340 40.9545 177.1924 130 R 4.1349 7.6480 114.4671 54.9171 32.1544 175.6037 131 R 2.0000 7.2175 116.5402 56.4222 27.3301 175.7651 132 V 4.6608 6.4610 117.0249 61.3649 35.4484 174.9457 133 T 5.6249 8.3082 120.8018 60.5184 71.7432 172.0294 134 G 4.5958 8.5172 109.0504 46.1480 0.0000 172.0097 135 F 5.7693 8.3939 115.1854 55.8404 42.2027 173.0769 136 S 5.2419 9.4013 113.9259 56.8763 66.8092 173.4434 137 I 4.7870 8.7545 124.1503 60.4587 37.6622 176.5177 138 T 3.8797 9.1208 124.3791 66.6914 69.1140 174.0236 *142 H 4.4466 8.0914 119.3278 56.0930 29.4259 172.6573 143 R 4.2052 8.4058 124.3961 57.3515 30.8453 177.2690 144 L 4.8132 7.7471 119.4556 53.9144 42.3342 176.6609 145 R 3.9455 7.8317 115.2327 57.4605 30.2023 176.4041 146 N 4.0615 8.9319 116.3186 54.2597 36.3879 173.4594 147 Y 4.4535 8.1099 120.5795 57.8369 40.0200 174.8645 148 K 4.9396 8.4867 127.3346 54.8259 36.1158 174.9167 149 S 5.1354 8.8269 121.1264 56.5400 67.2195 172.8797 150 V 4.9628 8.8675 119.9268 61.5974 34.9821 174.0917 151 T 5.4832 9.4517 124.5861 62.0175 71.4659 173.1523 152 T 4.9406 9.2079 116.3024 59.7495 72.3153 172.8225 153 V 4.7279 7.9204 123.3973 61.4608 33.8749 174.3714 154 H 4.8154 9.2132 124.7683 53.7576 32.1006 172.8676 155 R 4.2729 8.3014 123.6807 56.0087 30.9862 175.4088 156 F 4.2487 8.6594 124.1169 55.4101 42.3486 174.0127 157 E 4.8425 8.2121 121.9293 54.3898 32.9285 175.5210 *164 R 4.2706 8.2572 119.7241 56.3908 31.3914 175.0171 165 I 4.8540 8.2273 120.1161 59.5812 41.1526 173.3415 166 W 5.6922 9.4935 123.7841 55.0051 32.0359 173.2736 167 T 5.2680 9.2045 115.0694 61.8433 72.1312 173.5891 168 V 4.7714 8.8968 123.7364 61.1959 34.8519 174.2295 169 V 4.9359 8.7614 127.4234 61.2360 33.7955 174.0591 170 L 5.2691 8.9950 127.8854 53.0979 44.5725 175.1426 171 E 5.3656 9.2734 123.5643 54.7056 33.3016 174.2187 172 S 5.4502 9.3072 120.5515 56.9672 66.8083 172.0737 173 Y 5.2417 8.0594 117.6121 55.5681 41.7843 174.0338 174 V 4.5813 8.4606 119.3618 59.9937 35.0244 174.8514 175 V 4.7741 8.6218 121.1478 60.6002 35.2674 173.0409 176 D 5.2903 8.6024 123.6507 52.9247 41.8523 176.6275 177 V 3.9178 8.1154 125.0223 60.4524 32.1040 174.8120 178 P 4.3591 0.0000 0.0000 62.2485 31.9269 175.6698 179 E 4.1940 8.5018 120.7732 58.0458 29.8672 176.7750 180 G 4.1137 8.9156 111.3344 45.6361 0.0000 173.8399 181 N 4.4669 7.5424 115.7810 52.9110 39.3137 175.0628 182 S 4.3867 8.4221 115.1537 57.4986 63.4912 174.4345 183 E 3.9675 8.7997 130.2307 59.4335 29.5492 178.4454 184 E 4.0394 8.1545 117.1740 59.6418 29.7687 178.6125 185 D 4.3843 8.4480 120.1680 57.2840 40.8746 178.9412 186 T 3.9436 8.1033 116.2258 66.6703 68.5298 176.7512 187 R 4.1737 8.4749 122.3959 58.8184 30.1351 178.1342 188 L 4.0129 8.3139 120.4646 58.2146 42.0554 178.8505 189 F 4.1015 8.2938 120.0315 61.1706 39.3734 177.0173 190 A 3.6789 8.0897 120.3913 55.2094 18.1169 179.1079 191 D 4.4935 8.6886 117.7635 58.1025 40.8497 179.5206 192 T 3.8751 7.6794 115.5203 66.5420 68.4138 177.1303 193 V 3.5526 7.5546 120.1693 65.9642 31.5303 178.2205 194 I 3.7661 7.8439 119.5839 64.2940 36.9907 178.1934 195 R 3.9074 8.3615 119.9900 59.6162 29.8672 178.4719 196 L 3.8929 8.0419 118.6408 57.8758 41.5311 179.3113 197 N 4.3753 8.5224 116.7758 56.4176 38.5067 177.5552 198 L 4.2277 8.6830 120.7072 57.7733 41.6897 179.6007 199 Q 4.0363 8.3302 118.3243 58.7480 28.5519 178.6049 200 K 3.9992 8.3359 120.8476 59.1459 32.2053 178.4332 201 L 3.9403 8.5689 121.0222 58.2784 41.9254 178.8470 202 A 3.9965 8.0527 120.4069 55.3027 18.3403 179.5535 203 S 4.0633 8.2014 111.5378 61.5794 62.2522 176.4058 204 I 3.7221 7.9009 121.9718 64.5785 37.0265 178.1251 205 T 4.1651 8.1498 110.5242 64.5388 68.8241 176.7723 206 E 3.9951 8.7415 121.6183 59.2006 29.2208 179.2050 207 A 4.0506 7.8504 120.0236 55.3152 18.4748 179.3424 208 M 4.1488 7.6793 116.5017 57.8117 32.0394 176.0873 209 N 4.5181 7.7014 121.7576 53.6303 39.1465 174.3233 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 38 T 8.03 4.41 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 1.30 0.00 0.00 39 Q 8.96 3.68 0.00 2.40 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.89 0.00 0.00 0.00 0.00 0.00 2.33 2.49 0.00 40 L 8.31 4.40 0.00 1.70 1.70 1.02 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 41 S 8.02 4.15 0.00 3.85 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 42 Q 8.04 3.99 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.88 0.00 0.00 0.00 0.00 0.00 2.40 2.49 0.00 43 S 8.08 4.45 0.00 4.07 4.16 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 44 I 8.55 3.84 2.02 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.06 0.95 0.00 0.00 45 A 8.32 4.01 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 46 E 8.68 3.66 0.00 1.54 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 1.47 1.85 0.00 47 F 8.18 4.76 0.00 2.84 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 48 H 8.12 4.97 0.00 3.30 3.34 0.00 5.62 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 T 7.50 4.57 4.09 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 1.16 0.00 0.00 50 Y 8.17 4.79 0.00 2.89 2.84 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 51 Q 9.36 4.06 0.00 2.09 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.33 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 *55 G 9.04 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 56 R 8.13 5.05 0.00 1.69 1.84 0.00 3.18 0.00 0.00 3.30 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 57 C 9.19 4.97 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 58 S 8.30 4.88 0.00 3.07 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 59 S 7.07 4.46 0.00 3.44 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 60 L 8.43 5.23 0.00 1.67 1.50 0.89 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 61 L 9.29 5.04 0.00 1.70 1.58 1.08 0.66 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 62 A 8.49 5.23 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 63 Q 8.78 4.46 0.00 2.21 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.91 0.00 0.00 0.00 0.00 0.00 2.47 2.39 0.00 64 R 8.73 4.83 0.00 1.89 1.81 0.00 3.15 0.00 0.00 2.96 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.83 0.00 65 I 8.76 4.72 1.95 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.62 0.99 0.00 0.00 66 H 9.34 4.96 0.00 3.13 3.29 0.00 5.67 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 A 7.21 4.74 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 68 P 0.00 4.58 0.00 2.22 2.02 0.00 3.66 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.20 0.00 69 P 0.00 4.40 0.00 2.21 2.28 0.00 3.88 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 2.04 1.81 0.00 70 E 8.22 4.07 0.00 2.06 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 0.00 2.51 2.42 0.00 71 T 7.97 3.88 4.47 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 1.23 0.00 0.00 72 V 7.71 3.58 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 1.02 0.00 0.00 1.02 0.00 0.00 73 W 8.79 4.35 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 74 S 8.31 3.89 0.00 4.02 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 75 V 7.20 3.75 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 0.92 0.00 0.00 0.94 0.00 0.00 76 V 7.28 3.35 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 1.03 0.00 0.00 0.78 0.00 0.00 77 R 7.17 3.64 0.00 1.16 0.66 0.00 2.42 0.00 0.00 2.99 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.30 0.00 78 R 7.26 4.26 0.00 1.76 1.90 0.00 3.30 0.00 0.00 3.08 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 79 F 8.50 4.09 0.00 2.99 3.28 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 80 D 8.04 4.16 0.00 2.47 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 R 8.50 5.01 0.00 1.75 1.84 0.00 3.12 0.00 0.00 3.29 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.42 0.00 82 P 0.00 4.17 0.00 1.86 1.97 0.00 3.44 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 1.79 1.53 0.00 83 Q 7.81 3.97 0.00 2.27 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.95 0.00 0.00 0.00 0.00 0.00 2.34 2.25 0.00 84 I 7.65 3.80 2.05 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.81 0.96 0.00 0.00 85 Y 7.55 4.74 0.00 3.04 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 86 K 7.66 3.95 0.00 1.54 1.52 0.00 1.35 0.00 0.00 1.39 0.00 0.00 2.79 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.74 0.25 7.81 87 H 9.24 3.80 0.00 2.80 2.85 0.00 5.92 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 F 7.93 4.77 0.00 3.09 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 89 I 7.34 4.44 1.84 0.00 0.00 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 1.22 0.39 0.80 0.00 0.00 90 K 8.94 4.37 0.00 1.69 1.82 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.38 7.81 91 S 7.56 4.60 0.00 3.78 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 92 C 8.28 4.97 0.00 2.79 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 93 N 9.38 5.14 0.00 2.57 2.62 0.00 0.00 6.13 7.58 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 94 V 7.93 4.70 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 0.51 0.00 0.00 0.07 0.00 0.00 95 S 8.69 4.63 0.00 4.08 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 E 8.62 3.96 0.00 2.01 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 2.34 2.31 0.00 97 D 8.73 4.38 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 98 F 8.22 4.02 0.00 3.10 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 99 E 7.84 3.90 0.00 1.79 1.66 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 2.10 2.14 0.00 100 M 7.68 4.06 0.00 1.96 2.03 0.00 0.00 0.00 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.01 2.64 0.00 101 R 7.61 4.60 0.00 1.75 1.67 0.00 3.17 0.00 0.00 3.20 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.46 0.00 102 V 8.29 3.66 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.93 0.00 0.00 103 G 9.26 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 0.00 0.00 0.00 104 C 8.09 4.64 0.00 3.24 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 0.00 105 T 8.65 5.64 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 1.32 0.00 0.00 106 R 8.98 4.81 0.00 1.50 1.61 0.00 2.21 0.00 0.00 2.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.29 0.00 107 D 9.12 5.34 0.00 2.50 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 V 8.62 4.66 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 0.85 0.00 0.00 109 N 9.27 5.38 0.00 2.52 2.65 0.00 0.00 6.78 8.27 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 0.00 110 V 8.10 5.04 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.93 0.00 0.00 111 I 8.37 3.96 1.92 0.00 0.00 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 1.46 0.56 1.00 0.00 0.00 112 S 8.44 4.18 0.00 3.87 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 0.00 113 G 8.79 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 0.00 0.00 0.00 0.00 114 L 7.12 4.45 0.00 1.48 1.47 0.30 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 115 P 0.00 4.13 0.00 1.68 1.79 0.00 3.13 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 1.43 0.00 116 A 7.46 4.70 1.14 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 0.00 0.00 117 N 8.53 4.92 0.00 2.74 2.97 0.00 0.00 5.38 7.22 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 0.00 118 T 7.62 5.12 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 1.18 0.00 0.00 119 S 8.77 4.60 0.00 3.84 3.61 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 0.00 120 R 8.65 5.08 0.00 2.12 1.80 0.00 3.30 0.00 0.00 3.55 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 121 E 9.29 5.48 0.00 1.90 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 2.50 2.30 0.00 122 R 9.35 5.28 0.00 1.96 1.86 0.00 3.12 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.73 0.00 123 L 8.78 4.34 0.00 0.27 0.98 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 124 D 9.23 4.71 0.00 2.79 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 0.00 125 L 7.62 4.89 0.00 1.69 1.55 1.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 126 L 8.27 4.62 0.00 1.64 1.58 1.01 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 127 D 9.38 4.83 0.00 2.72 2.41 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 0.00 128 D 9.04 4.80 0.00 2.83 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 0.00 129 D 8.25 4.39 0.00 2.80 2.65 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 0.00 130 R 7.65 4.13 0.00 1.63 1.81 0.00 3.31 0.00 0.00 3.36 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.72 0.00 131 R 7.22 2.00 0.00 1.37 0.89 0.00 2.70 0.00 0.00 2.72 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.79 0.00 132 V 6.46 4.66 1.81 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 0.56 0.00 0.00 0.21 0.00 0.00 133 T 8.31 5.62 4.58 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 1.43 0.00 0.00 134 G 8.52 4.60 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 1.78 1.76 0.00 146 N 8.93 4.06 0.00 2.99 2.97 0.00 0.00 6.95 7.46 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 0.00 147 Y 8.11 4.45 0.00 3.22 2.84 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 0.00 148 K 8.49 4.94 0.00 1.76 1.47 0.00 1.65 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.30 1.52 7.81 149 S 8.83 5.14 0.00 4.02 3.57 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 0.00 150 V 8.87 4.96 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 1.04 0.00 0.00 1.02 0.00 0.00 151 T 9.45 5.48 4.45 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 1.36 0.00 0.00 152 T 9.21 4.94 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 0.82 0.00 0.00 153 V 7.92 4.73 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 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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 0.00 177 V 8.12 3.92 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 0.71 0.00 0.00 0.95 0.00 0.00 178 P 0.00 4.36 0.00 2.32 2.03 0.00 3.74 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.13 0.00 179 E 8.50 4.19 0.00 1.96 1.90 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 2.32 2.26 0.00 180 G 8.92 4.11 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 0.00 181 N 7.54 4.47 0.00 2.94 2.78 0.00 0.00 6.95 7.70 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 0.00 182 S 8.42 4.39 0.00 3.90 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 E 8.80 3.97 0.00 2.10 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 2.41 2.41 0.00 184 E 8.15 4.04 0.00 2.27 2.22 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 2.38 2.43 0.00 185 D 8.45 4.38 0.00 2.85 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 0.00 186 T 8.10 3.94 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 1.30 0.00 0.00 187 R 8.47 4.17 0.00 1.96 2.25 0.00 3.21 0.00 0.00 3.24 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.63 0.00 188 L 8.31 4.01 0.00 1.89 1.91 0.97 1.21 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 0.00 189 F 8.29 4.10 0.00 3.22 3.19 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 0.00 190 A 8.09 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 D 8.69 4.49 0.00 2.78 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 T 7.68 3.88 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 1.23 0.00 0.00 193 V 7.55 3.55 1.90 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 1.09 0.00 0.00 0.17 0.00 0.00 194 I 7.84 3.77 2.10 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.54 1.06 0.00 0.00 195 R 8.36 3.91 0.00 1.95 2.11 0.00 3.10 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 196 L 8.04 3.89 0.00 1.70 1.27 0.73 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 197 N 8.52 4.38 0.00 3.00 3.01 0.00 0.00 7.07 6.30 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 0.00 198 L 8.68 4.23 0.00 1.70 1.78 1.01 1.05 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 0.00 199 Q 8.33 4.04 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.56 0.00 200 K 8.34 4.00 0.00 1.86 2.17 0.00 1.59 0.00 0.00 1.61 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.56 1.47 7.81 201 L 8.57 3.94 0.00 1.79 1.94 0.51 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 202 A 8.05 4.00 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 0.00 203 S 8.20 4.06 0.00 3.93 3.89 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 0.00 204 I 7.90 3.72 2.03 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 1.84 1.12 0.93 0.00 0.00 205 T 8.15 4.17 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 1.20 0.00 0.00 206 E 8.74 4.00 0.00 2.09 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 0.00 2.49 2.50 0.00 207 A 7.85 4.05 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 0.00 208 M 7.68 4.15 0.00 1.97 2.34 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.55 0.00 209 N 7.70 4.52 0.00 2.65 2.82 0.00 0.00 7.04 8.09 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 * Residues marked with a * may have inaccurate shift predictions.