NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 G 3.9442 8.3549 109.7332 45.6309 0.0000 173.7182 12 S 4.0186 8.6571 115.1270 61.1897 62.9583 173.3556 13 H 4.5980 8.6709 115.6781 56.8045 29.9759 174.7965 *15 T 4.0986 7.4700 115.5378 62.7027 69.4470 173.6721 16 R 4.0474 8.4137 124.2875 56.6967 30.9823 176.0261 17 E 5.1254 7.9773 120.9057 53.8391 31.9218 173.7315 *19 R 4.4906 8.3922 117.4406 57.0084 31.6322 175.6388 20 I 5.0687 8.9711 126.6558 59.5021 41.0883 174.3053 21 L 5.1050 8.6490 125.7521 53.0532 44.7481 175.4030 22 I 4.7215 8.9216 124.5664 59.7598 39.1346 174.8248 23 L 4.5491 9.4121 126.3936 52.3549 46.2422 175.2238 24 G 4.3041 7.7056 104.2523 43.6558 0.0000 173.2210 25 L 4.4445 7.9958 120.8645 53.7896 42.3802 176.7290 26 D 4.4623 8.4036 120.1529 55.1722 39.1437 177.2921 27 G 3.9508 8.9685 109.0393 45.5476 0.0000 175.2339 28 A 3.9679 7.5209 122.3214 54.2822 18.6265 178.3518 29 G 4.2555 7.7179 101.5507 45.8667 0.0000 175.9866 30 K 3.8741 8.5184 120.9741 59.7811 32.0318 179.2910 31 T 4.1572 7.7729 116.6429 66.3913 68.5773 176.8098 32 T 3.9922 7.9712 117.2638 66.7875 68.5202 176.5791 33 I 3.8228 8.0334 121.9436 64.0226 37.1062 178.1981 34 L 3.7647 7.9525 121.2093 58.4631 42.0177 178.5812 35 Y 4.2803 7.8760 115.5451 60.0922 37.3110 178.2141 36 R 4.0405 7.9711 119.4950 59.1699 29.9560 178.8298 37 L 4.1080 7.7604 117.9758 57.2975 41.6190 178.9572 38 Q 4.1823 7.7598 118.5507 58.2346 29.4308 176.6630 39 V 4.1667 7.9894 116.0908 62.1342 32.3992 176.4926 40 G 4.0571 9.0840 106.2473 46.3071 0.0000 172.8721 41 E 4.7260 7.4936 116.7784 54.3668 33.7777 174.8619 42 V 3.7952 8.2295 120.3119 63.1525 32.0920 175.5927 43 V 4.5324 7.9388 118.6974 59.2994 35.3300 175.2872 44 T 4.1007 8.1922 116.1286 62.3259 67.8176 173.4792 45 T 4.7918 8.0678 115.8389 59.9000 72.1531 172.6904 46 I 4.6686 7.8392 113.9372 57.8426 40.6325 173.3679 47 P 4.0717 0.0000 0.0000 63.7550 31.5044 176.5876 48 T 4.2441 8.5599 120.0452 63.2245 67.8121 174.0674 49 I 4.6262 9.2130 130.8340 57.1343 37.1036 175.6556 50 G 4.3040 6.7929 119.4604 44.3763 0.0000 171.6405 51 F 5.3867 7.6467 120.3614 55.8701 40.6404 172.1988 52 N 5.3222 9.4258 117.0428 51.4536 42.0754 174.1513 53 V 4.7038 8.2559 120.6662 60.1055 34.2032 174.4330 54 E 4.7400 8.7177 122.5471 54.9301 34.3475 174.5017 55 T 4.8372 8.3857 118.1753 63.0935 70.1417 174.6534 56 V 4.5621 8.8675 124.3153 61.7190 35.3487 173.6861 57 T 5.2190 8.7762 123.8898 61.9983 71.1416 173.2205 58 Y 4.4552 8.7733 126.4515 56.5396 41.1093 175.1587 59 K 4.0411 8.9883 128.0899 57.9520 29.5273 175.6852 60 N 4.1210 8.3181 111.1366 53.7707 36.7566 173.8344 61 L 4.2620 7.5981 121.0304 53.3962 43.2502 175.0440 62 K 4.7988 8.0154 127.3800 55.3520 34.1836 175.0188 63 F 5.1633 9.2233 125.1133 55.7217 43.3093 173.5656 64 Q 4.7851 8.8710 124.2601 55.0688 30.6182 174.0867 65 V 4.8695 8.6562 127.2627 61.0189 34.1542 174.0376 66 W 5.1094 9.3043 128.3109 55.0697 31.6611 174.7427 67 D 5.1864 9.4958 124.4025 52.6744 42.8160 174.2417 68 L 4.7432 8.1157 126.2006 52.7731 43.2160 177.3473 69 G 4.0362 8.2640 110.8910 46.0222 0.0000 173.6245 70 G 4.5402 8.6263 110.1264 44.1014 0.0000 173.8590 71 L 4.1438 7.7915 120.3214 54.6898 42.1134 177.8613 72 T 3.7553 8.8316 119.7774 67.1921 68.2047 176.8285 73 S 4.1893 8.0153 113.2095 59.9956 63.6260 174.9652 74 I 3.9837 7.3834 115.2881 60.7078 38.1931 177.4322 75 R 2.5464 7.1997 119.9780 58.4803 29.5067 176.7489 76 P 4.1027 0.0000 0.0000 64.7842 31.7025 176.4121 77 Y 4.7563 7.2379 114.7170 58.0549 38.7526 177.2529 78 W 4.6521 8.2197 121.6390 60.1580 29.1831 178.3980 79 R 2.0000 7.8463 114.7629 58.5244 28.5721 178.3603 80 C 4.0356 7.7070 116.3727 62.0597 28.0462 174.3939 81 Y 4.1434 7.5394 115.9920 58.1201 37.9425 176.6270 82 Y 4.6116 7.6716 119.1860 59.1849 37.9547 175.7958 83 S 4.0387 7.7602 115.6313 60.2993 63.1651 173.7546 84 N 4.2578 8.7981 121.7868 54.5729 35.6560 174.1679 85 T 4.2735 7.5077 115.3931 63.3790 69.3756 174.9292 86 D 4.7147 9.1812 126.8230 56.7694 42.3812 176.3246 87 A 5.1747 7.8151 117.6743 50.5553 23.0976 175.1252 88 V 4.6983 8.7885 120.2923 61.1445 34.4343 174.6899 89 I 4.3801 8.6634 129.5212 60.2189 38.1807 174.3062 90 Y 4.8042 8.8812 130.9772 56.0820 40.0194 174.3703 91 V 4.4210 8.1705 128.3578 61.7353 33.4389 174.8014 92 V 4.2878 8.6312 127.4218 60.7426 34.9363 173.7812 93 D 4.7400 8.6833 127.6783 54.3386 41.1881 177.0245 94 S 4.2949 9.1897 123.2583 60.8621 63.0427 175.5542 95 C 4.4837 8.2229 116.4223 59.9290 29.1750 174.1577 96 D 4.6787 7.5653 121.6212 52.5277 39.3658 176.6549 97 R 3.9070 7.8955 122.5733 58.8143 30.7952 179.0593 98 D 4.4051 7.5679 114.7531 56.3900 41.0856 177.1937 99 R 4.5696 7.7909 116.2991 55.5957 31.1987 177.4377 100 I 3.8292 7.5742 119.6989 63.9787 37.8649 178.0326 101 G 3.6231 8.0972 106.3266 47.7025 0.0000 175.6647 102 I 3.8410 7.5085 122.8896 63.8164 37.3465 178.2984 103 S 4.4400 8.2108 117.4095 60.8775 62.5754 176.7966 104 K 3.9412 8.4807 122.7409 59.6074 31.4910 179.1084 105 S 4.1133 8.0580 114.4716 61.4763 62.6937 176.2889 106 E 4.0671 8.1918 121.5112 58.9990 29.2744 178.7268 107 L 3.7724 7.6825 119.5236 57.8592 42.1712 178.8270 108 V 3.6980 7.7759 117.2265 65.7776 31.6129 178.8354 109 A 4.6153 7.7016 119.5494 52.0263 17.9455 178.6760 *111 L 4.1903 7.8209 119.3017 55.8924 43.2779 177.5935 112 E 4.2493 7.8786 118.3342 56.9388 30.2133 176.0491 113 E 4.4157 7.9075 120.4986 55.5930 30.4864 177.4035 114 E 4.0210 8.8900 124.7337 59.0951 30.0533 178.5858 115 E 4.0455 8.2571 117.2992 58.7650 29.8945 177.3629 116 L 4.4400 7.7978 117.4211 54.3099 41.9025 178.0170 117 R 3.8539 7.7815 121.4105 59.0899 29.8370 177.4401 118 K 4.4270 7.8059 112.6388 55.8207 32.7030 176.0317 119 A 4.4253 7.6234 121.7913 51.9844 19.0367 177.9728 120 I 4.1370 8.4879 122.2651 60.9625 38.9660 174.7304 121 L 5.2242 9.1046 128.5128 53.3058 44.3309 175.2048 122 V 4.9708 8.8856 126.3100 59.9891 34.2584 174.5549 123 V 4.7474 8.9842 125.9280 61.4926 33.3196 174.5784 124 F 5.2403 9.1762 127.9797 56.3084 39.9675 175.2260 125 A 4.5209 9.0331 127.9208 51.6629 17.5441 176.1606 126 N 5.0359 9.2803 120.9734 52.2905 40.2160 174.2608 127 K 4.3398 8.4121 116.5525 57.8691 28.9491 177.9760 128 Q 3.8722 8.0971 117.8751 57.3708 29.1720 177.7392 129 D 4.6022 7.3450 120.2159 52.9648 38.3898 178.0538 *131 E 4.2396 8.1404 119.9109 57.3118 31.5778 177.3716 132 Q 4.2273 8.0350 113.3765 56.1547 29.8154 175.9794 133 A 4.7191 7.9485 118.3413 51.1563 16.9628 176.5197 *135 T 4.1359 8.2157 102.8769 61.5131 70.0457 174.6412 136 S 4.2187 8.8617 117.5824 61.6661 62.7584 175.9849 137 S 4.2667 7.6586 112.0764 61.1238 63.1951 176.1028 138 E 3.7904 8.1301 117.5150 57.0812 29.2108 177.8408 *140 A 4.1732 8.0626 121.9446 51.9888 20.7334 179.6091 141 N 4.3553 8.0684 112.8276 56.5377 38.7442 177.9368 142 S 4.1854 8.2108 113.4671 61.0295 62.9442 175.1939 143 L 4.1866 7.8569 117.8582 54.3989 42.1587 176.8611 144 G 3.8376 7.9299 107.3411 46.4478 0.0000 176.4120 145 L 3.2669 7.8042 121.8704 56.7234 41.5054 178.0721 146 P 4.4657 0.0000 0.0000 65.3271 31.2834 177.0950 147 A 4.2493 7.4888 118.8687 53.0519 18.8538 177.6629 148 L 4.0865 7.6625 117.0999 54.5050 42.1116 176.7689 149 K 4.4927 8.5192 122.6291 56.1739 33.9513 175.9022 150 D 4.4336 8.7321 120.1862 55.3407 38.3867 174.2464 151 R 4.5509 7.7677 116.2958 54.3436 33.3467 173.5477 152 K 4.5474 8.8193 127.2283 55.8039 33.1172 175.3214 153 W 6.3000 8.3990 123.2958 55.5387 31.3256 173.6115 154 Q 4.1559 8.5042 120.4896 54.6765 32.1097 172.5998 155 I 4.9378 7.8262 123.3027 59.1997 40.6076 174.5836 156 F 4.8446 8.9775 126.5350 55.2394 43.2743 174.4078 157 K 4.6517 8.7860 123.1049 56.8730 32.7242 176.1236 158 T 5.0802 8.9620 114.3683 59.9847 73.1708 172.9835 159 S 4.7668 8.7856 116.2255 56.5045 64.5392 174.5129 160 A 4.1043 8.9624 132.0884 55.3127 18.4098 178.7385 161 T 4.1211 7.8883 104.9802 63.7588 69.3437 175.5502 162 K 4.2295 7.6603 120.4767 56.2746 32.9593 177.4386 163 G 4.0793 8.5848 107.1672 45.3215 0.0000 173.8449 164 T 4.1039 7.7717 110.3660 62.5803 69.5341 175.7943 165 G 4.2537 8.7161 110.8373 46.7203 0.0000 175.5204 166 L 3.5918 7.1050 120.8159 57.9834 42.3522 177.9053 167 D 4.5532 8.0092 117.2524 57.3770 41.1300 177.5052 168 E 3.9427 8.0831 118.0045 59.2755 29.8138 178.1872 169 A 2.8627 7.1571 120.1113 52.2018 18.3030 178.5362 *171 E 4.3922 8.2160 122.0576 57.4308 31.6716 177.8679 172 W 4.1070 7.9503 127.8919 60.1964 30.6293 177.8268 173 L 3.8874 8.2373 120.4729 58.0835 41.5124 179.1602 174 V 3.6737 7.6690 117.6684 66.2185 31.6751 177.7429 175 E 3.9164 8.0393 118.1119 59.6355 28.9949 179.5333 176 T 3.6251 7.1845 115.0763 66.1746 68.3892 176.6248 177 L 4.1004 7.8782 121.1681 57.7475 41.4430 179.6763 178 K 4.0070 8.1003 117.8452 58.9913 32.0768 178.6160 179 S 4.4757 7.6192 111.4900 58.5997 63.4463 174.7287 180 R 4.1438 7.4962 127.7901 56.9743 29.9899 175.5350 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 11 G 8.35 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 0.00 0.00 0.00 12 S 8.66 4.02 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 13 H 8.67 4.60 0.00 3.14 3.31 0.00 5.73 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *15 T 7.47 4.10 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 1.17 0.00 0.00 16 R 8.41 4.05 0.00 1.74 1.79 0.00 3.15 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 17 E 7.98 5.13 0.00 2.13 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 0.00 2.18 2.26 0.00 *19 R 8.39 4.49 0.00 2.06 2.11 0.00 3.26 0.00 0.00 3.51 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.97 0.00 20 I 8.97 5.07 1.86 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.78 0.80 0.00 0.00 21 L 8.65 5.10 0.00 1.51 1.45 1.05 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 22 I 8.92 4.72 1.76 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.03 0.75 0.00 0.00 23 L 9.41 4.55 0.00 1.37 0.53 0.75 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 24 G 7.71 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 25 L 8.00 4.44 0.00 1.74 1.64 0.99 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 26 D 8.40 4.46 0.00 2.82 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.97 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 28 A 7.52 3.97 1.29 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 0.00 0.00 29 G 7.72 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 30 K 8.52 3.87 0.00 1.83 1.93 0.00 1.70 0.00 0.00 1.79 0.00 0.00 3.12 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.43 1.49 7.81 31 T 7.77 4.16 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 1.45 0.00 0.00 32 T 7.97 3.99 4.44 0.00 0.00 0.00 0.00 0.00 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 33 I 8.03 3.82 2.07 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.97 1.06 0.00 0.00 34 L 7.95 3.76 0.00 1.58 1.57 0.67 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 35 Y 7.88 4.28 0.00 3.12 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.97 4.04 0.00 2.15 2.00 0.00 3.30 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 2.00 0.00 37 L 7.76 4.11 0.00 1.75 1.70 0.83 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 38 Q 7.76 4.18 0.00 2.07 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.72 0.00 0.00 0.00 0.00 0.00 2.41 2.54 0.00 39 V 7.99 4.17 2.32 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 0.88 0.00 0.00 1.03 0.00 0.00 40 G 9.08 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.49 4.73 0.00 1.94 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 2.23 2.31 0.00 42 V 8.23 3.80 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 1.00 0.00 0.00 43 V 7.94 4.53 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 0.78 0.00 0.00 0.82 0.00 0.00 44 T 8.19 4.10 4.21 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 1.16 0.00 0.00 45 T 8.07 4.79 4.28 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 1.30 0.00 0.00 46 I 7.84 4.67 1.88 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 1.41 0.74 0.90 0.00 0.00 47 P 0.00 4.07 0.00 2.08 2.10 0.00 3.68 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 2.05 2.16 0.00 48 T 8.56 4.24 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 1.29 0.00 0.00 49 I 9.21 4.63 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.83 0.97 0.00 0.00 50 G 6.79 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 51 F 7.65 5.39 0.00 3.18 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 N 9.43 5.32 0.00 2.73 2.79 0.00 0.00 6.88 8.54 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 53 V 8.26 4.70 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 0.51 0.00 0.00 -0.33 0.00 0.00 54 E 8.72 4.74 0.00 1.71 1.75 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 2.05 2.15 0.00 55 T 8.39 4.84 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 1.23 0.00 0.00 56 V 8.87 4.56 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 1.14 0.00 0.00 0.93 0.00 0.00 57 T 8.78 5.22 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 1.23 0.00 0.00 58 Y 8.77 4.46 0.00 3.16 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 59 K 8.99 4.04 0.00 2.01 1.86 0.00 1.86 0.00 0.00 1.38 0.00 0.00 2.82 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.04 1.45 7.81 60 N 8.32 4.12 0.00 2.83 2.88 0.00 0.00 7.05 7.85 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 61 L 7.60 4.26 0.00 1.80 1.38 1.06 0.07 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 62 K 8.02 4.80 0.00 1.78 1.67 0.00 1.68 0.00 0.00 1.81 0.00 0.00 2.81 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.42 1.44 7.81 63 F 9.22 5.16 0.00 2.95 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 64 Q 8.87 4.79 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.86 0.00 0.00 0.00 0.00 0.00 2.24 2.24 0.00 65 V 8.66 4.87 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 0.84 0.00 0.00 0.93 0.00 0.00 66 W 9.30 5.11 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 67 D 9.50 5.19 0.00 2.65 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 68 L 8.12 4.74 0.00 1.25 1.55 0.45 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.26 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 0.00 0.00 0.00 70 G 8.63 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 0.00 0.00 0.00 0.00 71 L 7.79 4.14 0.00 1.76 1.61 0.95 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 72 T 8.83 3.76 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 1.13 0.00 0.00 73 S 8.02 4.19 0.00 3.99 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 74 I 7.38 3.98 2.09 0.00 0.00 1.00 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 0.87 1.07 0.00 0.00 75 R 7.20 2.55 0.00 1.36 0.94 0.00 2.79 0.00 0.00 2.77 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 1.49 0.00 76 P 0.00 4.10 0.00 1.44 1.88 0.00 3.06 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 77 Y 7.24 4.76 0.00 3.26 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 78 W 8.22 4.65 0.00 3.39 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 79 R 7.85 2.00 0.00 1.82 2.01 0.00 2.96 0.00 0.00 3.33 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.63 0.00 80 C 7.71 4.04 0.00 2.72 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 81 Y 7.54 4.14 0.00 2.87 2.56 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 82 Y 7.67 4.61 0.00 3.14 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 83 S 7.76 4.04 0.00 3.79 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 84 N 8.80 4.26 0.00 2.88 2.94 0.00 0.00 7.16 7.54 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 85 T 7.51 4.27 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 86 D 9.18 4.71 0.00 2.79 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 87 A 7.82 5.17 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 88 V 8.79 4.70 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 1.01 0.00 0.00 0.76 0.00 0.00 89 I 8.66 4.38 1.54 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.26 -0.29 0.00 0.00 90 Y 8.88 4.80 0.00 2.90 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 91 V 8.17 4.42 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 0.92 0.00 0.00 0.80 0.00 0.00 92 V 8.63 4.29 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 0.97 0.00 0.00 0.83 0.00 0.00 93 D 8.68 4.74 0.00 2.76 2.54 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 0.00 94 S 9.19 4.29 0.00 3.95 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 95 C 8.22 4.48 0.00 3.10 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 96 D 7.57 4.68 0.00 2.84 2.56 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 97 R 7.90 3.91 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 0.00 143 L 7.86 4.19 0.00 1.53 1.62 0.96 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 144 G 7.93 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 0.00 145 L 7.80 3.27 0.00 0.87 0.13 0.54 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 146 P 0.00 4.47 0.00 2.06 2.23 0.00 3.57 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 147 A 7.49 4.25 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 0.00 148 L 7.66 4.09 0.00 1.67 1.59 0.51 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 149 K 8.52 4.49 0.00 1.75 1.74 0.00 1.94 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.39 7.81 150 D 8.73 4.43 0.00 2.81 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 R 7.77 4.55 0.00 1.91 1.96 0.00 3.33 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.90 0.00 152 K 8.82 4.55 0.00 2.00 1.79 0.00 1.75 0.00 0.00 1.91 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.50 1.74 7.81 153 W 8.40 6.30 0.00 3.41 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 0.00 154 Q 8.50 4.16 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.90 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 155 I 7.83 4.94 1.93 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 1.31 1.23 0.88 0.00 0.00 156 F 8.98 4.84 0.00 2.89 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 0.00 157 K 8.79 4.65 0.00 1.73 1.74 0.00 1.61 0.00 0.00 1.87 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.53 1.44 7.81 158 T 8.96 5.08 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 159 S 8.79 4.77 0.00 3.87 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 0.00 160 A 8.96 4.10 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 0.00 161 T 7.89 4.12 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 0.00 162 K 7.66 4.23 0.00 1.70 1.89 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.40 1.50 7.81 163 G 8.58 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 0.00 0.00 0.00 164 T 7.77 4.10 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 1.20 0.00 0.00 165 G 8.72 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 0.00 0.00 0.00 0.00 166 L 7.11 3.59 0.00 1.56 1.62 0.81 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 167 D 8.01 4.55 0.00 2.72 2.81 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 0.00 168 E 8.08 3.94 0.00 1.89 1.88 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 2.39 2.34 0.00 169 A 7.16 2.86 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *171 E 8.22 4.39 0.00 2.25 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 2.35 2.39 0.00 172 W 7.95 4.11 0.00 3.44 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 0.00 173 L 8.24 3.89 0.00 2.06 1.66 1.00 0.78 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 0.00 174 V 7.67 3.67 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 1.25 0.00 0.00 1.18 0.00 0.00 175 E 8.04 3.92 0.00 1.91 1.89 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 2.51 2.49 0.00 176 T 7.18 3.63 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 0.73 0.00 0.00 177 L 7.88 4.10 0.00 1.90 1.75 1.10 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 178 K 8.10 4.01 0.00 1.84 1.85 0.00 1.82 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.56 7.81 179 S 7.62 4.48 0.00 4.00 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 0.00 180 R 7.50 4.14 0.00 2.02 1.90 0.00 3.29 0.00 0.00 3.26 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 * Residues marked with a * may have inaccurate shift predictions.