NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 57 S 4.4132 8.1933 115.2796 57.2851 63.2538 174.4555 58 P 4.0503 0.0000 0.0000 64.5818 31.4617 175.7106 59 G 4.1923 8.9284 106.7375 46.0566 0.0000 171.8790 60 I 4.8856 7.4334 122.0057 59.6875 38.8787 175.0264 61 W 5.1476 9.2900 125.7064 54.8236 33.6218 173.9529 62 Q 5.2715 9.1157 122.8391 54.3973 30.8253 173.9912 63 L 5.3305 9.5912 128.1839 53.3920 45.4993 173.9685 64 D 4.6904 8.7560 127.6032 53.5767 46.5566 174.6553 *66 T 4.4221 8.5421 114.0611 63.0205 70.5274 172.9435 67 H 5.3756 8.5412 119.4513 54.3513 31.8858 173.8497 68 L 4.2315 9.0927 121.6359 55.4524 45.2800 174.8571 69 E 3.8430 9.9017 125.5863 57.5988 26.9531 175.5529 70 G 3.9534 8.6262 104.2588 45.5690 0.0000 174.0182 71 K 4.6443 8.2931 118.9585 54.2580 35.4156 174.7825 72 V 4.5837 8.0091 120.1631 61.4564 33.6168 174.3342 73 I 4.9133 8.4010 128.5365 59.4166 39.6354 174.6507 74 L 4.4764 8.9803 129.8626 53.7466 43.8846 175.2172 75 V 4.8988 8.7846 125.8727 61.0056 34.5969 173.7475 76 A 5.4885 9.5494 129.7844 50.1727 22.1619 174.9215 77 V 4.7957 9.0848 122.1542 61.1457 34.6326 174.0300 78 H 3.2569 8.9908 128.9746 55.3272 29.6712 175.6005 79 V 3.4988 7.8791 126.8723 66.1377 31.6415 178.2852 80 A 3.8161 7.6342 121.1897 53.8882 18.4193 177.8045 81 S 4.4594 7.2063 108.1109 57.2086 64.7762 175.5634 82 G 3.8812 8.4605 108.8182 45.3883 0.0000 172.7467 83 Y 4.4622 7.5791 121.5892 57.4276 39.8294 174.5417 84 I 5.1676 8.1992 125.9510 59.5500 41.1662 174.7457 85 E 4.8703 9.3024 122.8125 54.7741 33.1975 174.8291 86 A 5.4001 8.7185 124.1603 50.7806 23.0520 174.6587 87 E 4.8133 9.0348 116.9753 55.1354 34.7393 174.5831 88 V 4.6848 8.4387 122.8128 61.7794 32.5432 175.0613 89 I 4.5898 8.5176 121.8007 58.5484 39.6233 174.2231 90 P 4.3438 0.0000 0.0000 65.3246 31.4147 176.6044 91 A 4.6740 7.3786 117.1371 50.6732 22.3451 174.9195 92 E 4.2900 8.4853 119.6945 56.2061 29.6603 176.9876 93 T 4.5440 7.5452 109.9515 60.4063 72.1581 174.9311 94 G 3.6791 8.4984 107.8014 48.1446 0.0000 175.5743 95 Q 4.0849 8.2151 120.2587 59.0417 28.7671 179.1862 96 E 4.1068 7.9547 118.3738 59.6508 29.3972 179.6672 97 T 3.9888 8.0625 115.4793 66.4876 68.5180 176.5187 98 A 4.0649 8.4537 123.1970 55.5377 18.3543 178.9178 99 Y 4.0908 8.3236 117.8880 60.8873 38.7785 178.1610 100 F 3.8294 8.4421 121.3587 61.1928 39.5248 176.9069 101 L 4.0015 8.3851 118.8144 57.8997 41.2620 179.2846 102 L 3.9632 7.8813 118.9570 57.9784 42.2402 178.9147 103 K 3.8157 7.7373 118.3911 59.1529 31.9723 178.8603 104 L 3.6007 7.6066 120.5362 58.1679 41.7936 178.9117 105 A 4.2656 8.1109 118.8557 54.0812 18.3555 178.7336 106 G 3.7585 7.4939 102.1444 45.4231 0.0000 174.5531 107 R 4.1606 7.5035 118.4598 56.3856 31.8968 176.2230 108 W 5.0400 7.8541 115.2990 53.7813 32.9252 173.7661 109 P 4.3502 0.0000 0.0000 62.9006 29.5218 175.0975 110 V 4.3695 8.2495 127.2855 62.5628 31.8785 175.9527 111 K 4.5570 9.2651 131.9690 57.0709 33.2747 173.4690 112 T 5.1582 7.8762 110.3322 59.5706 72.5632 172.6217 113 V 5.0236 8.7752 124.0898 61.5806 34.2173 173.7861 114 H 5.2541 9.8464 128.6040 55.2148 32.2467 173.1577 115 T 5.0449 7.6047 116.1398 60.4621 70.4071 173.1027 116 D 4.6386 9.4405 123.9661 54.3809 41.5709 177.0129 117 N 4.7534 7.6942 118.2943 50.4656 39.3855 174.1451 118 G 3.7564 8.4517 113.6734 48.1461 0.0000 173.1957 119 S 4.3395 7.9133 113.1891 60.1401 63.6050 175.8545 120 N 4.3390 8.1597 118.9128 55.7976 38.2592 175.5740 121 F 5.2606 7.9195 115.3624 57.6163 39.1529 176.4487 122 T 4.5098 7.4866 110.7682 61.8940 70.0310 175.7381 123 S 4.3883 7.8604 117.9547 58.3948 65.0998 175.0117 124 T 3.8998 8.4464 120.2425 67.1793 68.4386 177.0526 125 T 3.9325 7.9119 111.1771 64.6349 68.5377 176.6787 126 V 3.6599 7.6342 120.4121 65.8421 31.7464 177.8358 127 K 4.1225 7.9933 116.7574 59.4387 32.0527 178.8540 128 A 4.4181 8.3650 120.9458 54.9876 18.2295 179.7166 129 A 4.3941 7.8749 116.4248 52.5542 18.4227 179.1990 *131 W 4.7122 7.9275 131.7762 58.7833 32.5302 177.3547 132 W 2.9074 8.7759 126.6004 60.0566 30.0714 176.7446 133 A 4.0324 8.2425 118.3891 52.7072 18.1113 178.1305 134 G 3.7707 7.7072 103.5391 45.2775 0.0000 173.5133 135 I 4.3993 7.4377 119.4052 60.3295 38.2821 175.3693 136 K 4.6884 8.7956 124.8860 54.3943 35.8209 175.0148 137 Q 4.3907 8.4185 123.5754 55.3350 29.5586 175.1387 138 E 3.9652 8.7236 129.0069 56.1369 30.1679 176.4622 139 F 4.9242 8.8864 124.1424 57.1641 39.9806 175.4230 140 G 4.2636 8.5399 114.7008 44.8524 0.0000 174.9027 *148 Q 4.2694 8.5381 118.8046 54.2353 30.4872 173.1550 149 G 3.7420 8.1593 108.3721 49.4208 0.0000 177.0500 150 V 3.6366 7.6698 121.3052 65.9868 31.8039 180.3604 151 I 3.9174 7.6828 120.4472 64.1323 36.8273 178.3186 152 E 4.0491 8.1240 122.0796 59.9740 29.2899 180.2370 153 S 4.1496 7.8925 118.2115 63.7171 62.2103 178.2665 154 M 4.2607 8.1056 121.7584 58.1769 31.9372 178.5746 155 N 4.4658 8.2553 116.4436 56.3916 38.8502 177.7486 156 K 3.9929 7.7860 119.9428 59.3658 32.0076 178.9976 157 E 3.9491 8.3389 119.7256 59.0312 29.4165 178.6652 158 L 3.9186 7.7723 120.3707 58.2546 42.1747 179.2475 159 K 3.7365 8.0067 117.8342 59.1565 31.8806 178.8872 160 K 3.9684 7.9968 120.2623 59.6137 32.1065 178.7382 161 I 3.9635 8.0146 121.3286 63.7886 36.9594 178.4812 162 I 3.7878 8.5720 121.3919 64.3649 36.7581 178.4797 163 G 3.7121 8.3684 105.3870 48.2328 0.0000 175.5149 164 Q 4.1850 8.6185 120.7296 57.6105 28.7165 178.0368 165 V 4.3114 7.8910 111.8086 60.8225 31.9413 177.3629 166 R 3.9760 7.7536 122.5483 59.9799 29.9313 177.3421 167 D 4.7338 7.9913 113.5755 53.4029 39.8641 179.5650 168 Q 4.4557 8.2908 117.3050 56.6955 29.0273 175.3372 169 A 4.5452 7.1938 119.0061 50.9706 21.9152 176.4071 170 E 3.9370 8.7156 122.2763 59.3254 30.3272 177.5751 171 H 4.7783 7.5440 115.6851 54.3494 31.4884 175.8448 172 L 3.9838 8.5288 125.1302 58.4254 41.7420 179.6151 173 K 3.9978 8.0720 118.0955 60.3459 32.4637 179.1398 174 T 3.8528 7.9253 116.1467 66.3279 68.5042 176.3276 175 A 4.0265 7.7925 122.2462 55.0196 18.3919 179.7410 176 V 3.5537 8.1572 117.1041 66.4654 31.6362 178.3704 177 Q 4.1394 7.9252 117.5332 59.2702 28.4536 178.6440 178 M 4.0112 8.7329 119.8347 58.1458 31.9188 178.5231 179 A 4.1354 8.0899 120.9743 54.5060 18.7702 179.7318 180 V 3.5193 8.3953 117.3407 66.1592 31.5958 177.7876 181 F 4.1025 8.4207 120.2166 61.5260 39.3665 176.7778 182 I 3.8552 8.4600 119.5987 65.0289 36.8040 177.8773 183 H 4.1059 8.6157 117.5961 59.4202 29.9911 176.7916 184 N 4.4922 8.4416 118.0394 55.6385 38.1394 177.3862 185 K 4.1707 7.5438 118.8604 57.0885 32.1811 176.6402 186 K 3.7307 7.5491 120.4161 56.5856 32.1602 175.9571 187 R 4.2634 8.4435 125.7758 56.2021 30.5769 177.1891 188 K 4.5628 8.7017 122.2261 53.5187 34.0720 177.1417 189 G 3.8409 8.4416 119.9314 46.0659 0.0000 173.7255 *193 G 3.6040 9.1838 115.5739 46.2742 0.0000 172.4580 194 Y 4.7658 8.2269 124.9633 56.3798 40.6048 175.1147 195 S 5.0476 9.6841 115.6912 56.8338 64.8665 175.3413 196 A 4.1248 8.8199 122.3272 55.5366 18.1411 180.2707 197 G 3.6418 8.4221 104.1220 47.9567 0.0000 175.8633 198 E 4.0188 8.5714 121.1735 59.2067 29.4676 179.6305 199 R 3.7944 8.3945 118.5158 59.2086 30.0769 178.8936 200 I 3.3866 8.2613 118.7617 64.1869 37.7837 178.3919 201 V 3.6933 7.6072 112.7923 64.1341 31.3358 177.7847 202 D 4.3248 8.1631 118.0205 57.6088 41.0958 178.4974 203 I 3.6581 8.2608 120.2037 64.5903 37.1355 178.6135 204 I 3.7581 8.0527 120.5145 64.1772 36.7036 178.3626 205 A 3.9765 8.5252 121.1847 55.4119 18.1325 179.4507 206 T 3.9317 7.9580 114.1980 66.9901 68.3670 176.2749 207 D 4.3493 7.7611 118.0950 57.3363 41.2085 178.0507 208 I 3.8717 7.5161 119.5599 63.9187 38.5700 177.3245 209 Q 4.1577 7.5533 120.9866 55.6551 27.1936 176.8851 210 T 3.7315 7.6212 113.1177 61.2172 68.4046 173.4295 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 57 S 8.19 4.41 0.00 3.85 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 P 0.00 4.05 0.00 2.20 2.13 0.00 3.72 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.13 0.00 59 G 8.93 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 I 7.43 4.89 1.80 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.47 0.93 0.00 0.00 61 W 9.29 5.15 0.00 3.33 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 62 Q 9.12 5.27 0.00 2.22 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.28 2.44 0.00 63 L 9.59 5.33 0.00 1.93 1.63 0.83 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 64 D 8.76 4.69 0.00 2.56 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 0.00 0.00 0.00 0.00 *66 T 8.54 4.42 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 1.19 0.00 0.00 67 H 8.54 5.38 0.00 2.98 3.25 0.00 5.93 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 68 L 9.09 4.23 0.00 1.68 1.46 0.93 0.84 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 69 E 9.90 3.84 0.00 2.15 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 2.22 2.29 0.00 70 G 8.63 3.95 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 0.00 0.00 0.00 71 K 8.29 4.64 0.00 1.86 1.68 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.51 7.81 72 V 8.01 4.58 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 0.88 0.00 0.00 0.86 0.00 0.00 73 I 8.40 4.91 1.83 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 1.11 0.76 0.90 0.00 0.00 74 L 8.98 4.48 0.00 1.48 1.12 0.56 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 75 V 8.78 4.90 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.90 0.00 0.00 76 A 9.55 5.49 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 0.00 0.00 0.00 0.00 0.00 77 V 9.08 4.80 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 0.89 0.00 0.00 0.95 0.00 0.00 78 H 8.99 3.26 0.00 1.40 2.47 0.00 5.65 0.00 0.00 0.00 0.00 6.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 V 7.88 3.50 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 0.75 0.00 0.00 0.91 0.00 0.00 80 A 7.63 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 S 7.21 4.46 0.00 3.75 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 82 G 8.46 3.88 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 0.00 0.00 0.00 83 Y 7.58 4.46 0.00 2.90 2.52 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 84 I 8.20 5.17 1.70 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.87 0.91 0.00 0.00 85 E 9.30 4.87 0.00 2.14 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 2.47 2.55 0.00 86 A 8.72 5.40 1.22 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 87 E 9.03 4.81 0.00 2.04 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 0.00 2.59 2.74 0.00 88 V 8.44 4.68 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 0.84 0.00 0.00 0.95 0.00 0.00 89 I 8.52 4.59 1.90 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.82 0.99 0.00 0.00 90 P 0.00 4.34 0.00 2.06 2.15 0.00 3.78 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.08 0.00 91 A 7.38 4.67 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 E 8.49 4.29 0.00 1.95 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 2.27 2.27 0.00 93 T 7.55 4.54 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 1.22 0.00 0.00 94 G 8.50 3.68 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 0.00 0.00 0.00 95 Q 8.22 4.08 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.86 0.00 0.00 0.00 0.00 0.00 2.45 2.54 0.00 96 E 7.95 4.11 0.00 2.20 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 2.36 2.75 0.00 97 T 8.06 3.99 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 98 A 8.45 4.06 1.48 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 99 Y 8.32 4.09 0.00 3.17 3.26 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 0.00 100 F 8.44 3.83 0.00 3.30 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 L 8.39 4.00 0.00 1.95 1.71 0.83 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 102 L 7.88 3.96 0.00 1.57 1.83 0.84 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 103 K 7.74 3.82 0.00 1.49 1.47 0.00 1.48 0.00 0.00 1.34 0.00 0.00 2.45 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.03 0.71 7.81 104 L 7.61 3.60 0.00 1.29 1.50 0.38 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 105 A 8.11 4.27 1.26 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 0.00 0.00 0.00 106 G 7.49 3.76 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 0.00 0.00 0.00 107 R 7.50 4.16 0.00 1.72 1.56 0.00 3.15 0.00 0.00 3.12 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.44 0.00 108 W 7.85 5.04 0.00 3.15 3.26 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 0.00 109 P 0.00 4.35 0.00 2.33 2.31 0.00 4.16 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.08 0.00 110 V 8.25 4.37 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 0.76 0.00 0.00 0.65 0.00 0.00 111 K 9.27 4.56 0.00 1.48 1.78 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.32 1.25 7.81 112 T 7.88 5.16 4.34 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 1.25 0.00 0.00 113 V 8.78 5.02 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 1.31 0.00 0.00 1.00 0.00 0.00 114 H 9.85 5.25 0.00 3.20 3.31 0.00 5.61 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 T 7.60 5.04 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 116 D 9.44 4.64 0.00 2.76 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 0.00 117 N 7.69 4.75 0.00 2.65 2.50 0.00 0.00 6.96 7.37 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 0.00 118 G 8.45 3.76 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 0.00 0.00 0.00 119 S 7.91 4.34 0.00 4.02 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 0.00 120 N 8.16 4.34 0.00 2.33 2.76 0.00 0.00 6.88 7.82 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 0.00 121 F 7.92 5.26 0.00 3.18 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 0.00 122 T 7.49 4.51 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 1.30 0.00 0.00 123 S 7.86 4.39 0.00 4.11 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 0.00 124 T 8.45 3.90 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 1.21 0.00 0.00 125 T 7.91 3.93 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 1.24 0.00 0.00 126 V 7.63 3.66 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 1.13 0.00 0.00 127 K 7.99 4.12 0.00 1.83 1.92 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.10 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.53 1.74 7.81 128 A 8.37 4.42 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 0.00 129 A 7.87 4.39 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 W 7.93 4.71 0.00 3.46 3.65 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 0.00 132 W 8.78 2.91 0.00 3.42 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 0.00 133 A 8.24 4.03 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 0.00 134 G 7.71 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 I 7.44 4.40 1.83 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 1.49 0.58 0.91 0.00 0.00 136 K 8.80 4.69 0.00 1.67 1.73 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.54 7.81 137 Q 8.42 4.39 0.00 1.95 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.92 0.00 0.00 0.00 0.00 0.00 1.59 2.20 0.00 138 E 8.72 3.97 0.00 2.01 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 2.34 2.36 0.00 139 F 8.89 4.92 0.00 3.11 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 0.00 140 G 8.54 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 0.00 0.00 0.00 0.00 *148 Q 8.54 4.27 0.00 2.02 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.85 0.00 0.00 0.00 0.00 0.00 2.26 1.94 0.00 149 G 8.16 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 0.00 150 V 7.67 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 0.85 0.00 0.00 0.93 0.00 0.00 151 I 7.68 3.92 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 1.63 0.71 0.92 0.00 0.00 152 E 8.12 4.05 0.00 1.96 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 2.33 2.32 0.00 153 S 7.89 4.15 0.00 3.73 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 0.00 154 M 8.11 4.26 0.00 1.89 2.29 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 2.60 2.71 0.00 155 N 8.26 4.47 0.00 2.93 2.84 0.00 0.00 7.02 6.27 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 0.00 156 K 7.79 3.99 0.00 1.86 1.86 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.59 7.81 157 E 8.34 3.95 0.00 2.36 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 0.00 2.34 2.34 0.00 158 L 7.77 3.92 0.00 1.94 1.77 0.90 0.68 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 0.00 159 K 8.01 3.74 0.00 1.84 1.85 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.53 1.49 7.81 160 K 8.00 3.97 0.00 1.85 1.95 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.49 7.81 161 I 8.01 3.96 1.90 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 1.57 0.98 0.96 0.00 0.00 162 I 8.57 3.79 1.99 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 1.47 1.68 0.92 0.00 0.00 163 G 8.37 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 0.00 164 Q 8.62 4.18 0.00 2.21 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.65 0.00 0.00 0.00 0.00 0.00 2.39 2.53 0.00 165 V 7.89 4.31 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 0.76 0.00 0.00 1.04 0.00 0.00 166 R 7.75 3.98 0.00 1.89 1.98 0.00 3.30 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 167 D 7.99 4.73 0.00 2.73 2.53 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 0.00 168 Q 8.29 4.46 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.55 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 169 A 7.19 4.55 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 E 8.72 3.94 0.00 1.82 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 2.06 2.24 0.00 171 H 7.54 4.78 0.00 3.22 3.20 0.00 5.69 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 L 8.53 3.98 0.00 1.93 1.70 0.93 0.55 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 0.00 173 K 8.07 4.00 0.00 2.05 2.08 0.00 1.55 0.00 0.00 1.81 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.56 7.81 174 T 7.93 3.85 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 175 A 7.79 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 0.00 176 V 8.16 3.55 2.27 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 0.89 0.00 0.00 1.02 0.00 0.00 177 Q 7.93 4.14 0.00 2.24 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.56 0.00 0.00 0.00 0.00 0.00 2.61 2.59 0.00 178 M 8.73 4.01 0.00 1.96 2.23 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.44 0.00 179 A 8.09 4.14 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 0.00 180 V 8.40 3.52 2.28 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 0.98 0.00 0.00 0.98 0.00 0.00 181 F 8.42 4.10 0.00 3.22 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 0.00 182 I 8.46 3.86 1.99 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 1.54 1.05 0.98 0.00 0.00 183 H 8.62 4.11 0.00 3.14 3.51 0.00 5.75 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 0.00 184 N 8.44 4.49 0.00 2.74 2.92 0.00 0.00 7.03 7.30 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 0.00 185 K 7.54 4.17 0.00 1.63 1.72 0.00 0.96 0.00 0.00 1.35 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.05 7.81 186 K 7.55 3.73 0.00 1.96 1.69 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.44 7.81 187 R 8.44 4.26 0.00 1.79 2.02 0.00 3.14 0.00 0.00 3.29 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 188 K 8.70 4.56 0.00 1.68 1.71 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.42 7.81 189 G 8.44 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 *193 G 9.18 3.60 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 0.00 194 Y 8.23 4.77 0.00 3.01 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 0.00 195 S 9.68 5.05 0.00 4.03 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 0.00 196 A 8.82 4.12 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 0.00 197 G 8.42 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 0.00 0.00 0.00 198 E 8.57 4.02 0.00 2.28 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 2.40 2.41 0.00 199 R 8.39 3.79 0.00 1.91 1.92 0.00 3.12 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.91 0.00 200 I 8.26 3.39 1.34 0.00 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.80 0.08 0.00 0.00 201 V 7.61 3.69 2.15 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 1.00 0.00 0.00 0.94 0.00 0.00 202 D 8.16 4.32 0.00 2.71 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 0.00 203 I 8.26 3.66 1.81 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 1.47 0.94 0.89 0.00 0.00 204 I 8.05 3.76 1.99 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.12 1.01 0.00 0.00 205 A 8.53 3.98 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 0.00 206 T 7.96 3.93 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 1.19 0.00 0.00 207 D 7.76 4.35 0.00 2.77 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 0.00 208 I 7.52 3.87 2.01 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 1.53 0.86 0.90 0.00 0.00 209 Q 7.55 4.16 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 5.96 0.00 0.00 0.00 0.00 0.00 2.37 2.29 0.00 210 T 7.62 3.73 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.