NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 M 4.5357 8.3044 120.2866 55.2843 33.8930 174.1026 3 V 4.1398 8.0476 121.0755 59.6036 33.1305 173.2553 4 W 4.4823 9.0826 135.0000 57.3916 31.9410 174.6954 5 T 4.0630 7.9081 122.0331 61.2204 67.2097 172.5395 6 P 4.4727 0.0000 0.0000 63.5821 32.2220 175.8430 7 V 3.9078 7.4117 119.7387 62.8879 32.5547 175.5595 8 N 4.1582 8.6658 125.7058 54.8925 35.9605 173.4706 9 N 4.9969 7.4000 108.6841 52.8709 40.1798 174.2721 10 K 4.0698 8.2082 116.3487 56.5729 32.8159 176.6815 11 M 4.9757 8.3037 120.9460 53.9673 35.3460 175.4490 12 F 4.5927 8.4817 116.3275 57.2948 41.1084 176.0338 13 E 3.4553 8.3076 122.6519 57.1152 28.0634 175.4807 14 T 3.8101 8.3674 121.6309 66.6730 68.9442 174.1779 15 F 4.5821 9.0713 124.6439 57.5215 36.7238 176.2046 16 S 4.5398 8.0657 114.1141 60.0278 63.0774 174.3782 17 Y 4.3924 8.2384 117.6450 58.1620 38.1610 175.0838 18 L 4.6895 7.5718 120.0986 52.1365 43.6451 174.5267 19 P 4.3883 0.0000 0.0000 61.8845 31.7653 174.9398 20 P 4.2545 0.0000 0.0000 62.9715 31.7757 176.2449 21 L 4.0378 8.3221 122.4891 54.6409 42.2449 177.9491 22 T 4.2062 8.1910 113.9091 61.2565 71.1249 175.1986 23 D 4.3457 8.6299 121.3841 57.7679 40.6587 178.9026 24 E 3.9779 8.0911 119.2091 59.2073 29.6340 178.5955 25 Q 4.0028 7.9004 117.8390 58.3898 28.8263 178.5043 26 I 3.7160 8.0726 121.2025 64.3182 37.1573 178.1907 27 A 4.0533 8.1298 121.4278 55.1105 18.1297 179.6024 28 A 3.9561 7.8635 119.0703 55.3951 18.4594 179.7929 29 Q 4.0938 7.9000 116.3310 59.2483 28.8253 179.3513 30 V 3.7578 8.1661 119.1956 66.1904 31.5834 177.7602 31 D 4.4339 8.4490 118.7626 57.5755 40.5129 178.1705 32 Y 4.2322 8.1633 120.0809 60.6094 38.8651 178.1507 33 I 3.9587 8.0187 120.8228 64.4880 37.3025 178.6116 34 V 3.5186 7.8732 118.7063 66.0126 31.2024 177.9131 35 A 3.9360 8.1905 119.4670 54.5116 18.2297 178.3027 36 N 4.0930 7.0327 112.5327 52.1570 38.7467 175.9160 37 G 3.7754 7.2642 108.3725 45.7349 0.0000 174.0134 38 W 4.8961 7.4241 118.7115 56.3008 30.5109 176.2348 39 I 4.3648 8.9665 123.3923 59.6254 37.7515 174.0884 40 P 4.8933 0.0000 0.0000 62.9808 32.7984 175.1434 41 C 4.9722 8.6025 120.3334 58.6603 35.7478 172.4057 42 L 5.3050 8.6591 123.4453 53.1447 44.5567 175.2360 43 E 5.5931 9.1215 121.2939 54.9341 34.0314 174.6571 44 F 5.6043 9.1548 115.9140 55.9975 41.9661 172.9791 45 A 4.5552 8.4241 120.8568 50.0982 22.7229 176.1967 46 E 4.2775 8.6581 118.5371 55.7310 30.7345 177.6520 47 A 4.3203 8.9218 122.9703 55.9002 18.3524 180.0191 48 D 4.4682 8.1836 113.3102 56.6278 41.0386 177.3524 49 K 4.5794 7.9207 116.6911 56.0655 32.3817 176.9324 50 A 3.9236 7.6415 124.6220 53.8901 18.9389 178.3135 51 Y 4.6105 7.3974 111.4386 55.5985 40.0649 175.6993 52 V 3.7987 8.2644 122.3273 63.9626 32.0452 175.2542 53 S 4.7075 8.8866 119.3494 56.9054 66.0885 173.6656 54 N 5.1039 8.6095 114.7048 52.6373 39.0549 175.9823 55 E 4.0246 8.3225 120.1522 59.8985 29.3473 179.1213 56 S 4.0691 8.7342 115.0713 60.4796 62.7946 175.9899 57 A 2.5800 7.9553 123.8587 53.6373 17.7549 179.0794 58 I 3.4928 6.9012 115.9895 63.5834 38.0230 177.0830 59 R 4.3131 7.3938 116.3580 55.5520 30.5781 176.2137 60 F 5.0488 7.3178 118.3691 56.0100 41.1805 177.4233 61 G 4.0078 8.2335 116.3275 46.2352 0.0000 175.2273 62 S 4.5854 8.4371 113.6328 58.7390 61.8157 174.5474 63 V 4.4384 7.3148 108.7741 61.1551 33.2241 178.0688 64 S 4.3182 8.1866 114.3648 59.2136 63.4652 173.2806 65 C 3.9532 7.2650 120.1039 61.5479 27.9565 173.3687 66 L 3.6499 8.4646 123.5586 55.6723 38.9013 173.2745 67 Y 4.4583 7.6911 119.4884 55.9131 40.0866 174.5779 68 Y 4.9252 7.3585 123.3789 56.2753 42.3031 174.7796 69 D 4.5064 8.8125 123.2963 55.3797 41.7465 176.8864 70 N 4.4654 8.9071 117.0688 54.2469 35.8957 176.0760 71 R 3.9531 8.0047 118.5927 59.3217 30.3978 177.1391 72 Y 4.3588 7.7086 114.5939 58.0156 38.2770 175.3389 73 W 5.0229 8.7031 124.2252 55.3631 32.7609 174.5174 74 T 4.2814 8.1863 117.4984 62.4301 69.2960 174.7352 75 M 4.5708 8.6220 127.0983 55.5271 33.1160 175.1718 76 W 4.8618 9.6579 135.0000 56.0678 31.4029 176.9993 77 K 3.4847 8.5687 129.0172 57.4370 30.6551 178.5110 78 L 4.9125 8.3462 123.7836 52.6807 45.3033 173.9789 79 P 4.2962 0.0000 0.0000 63.5105 31.9436 177.8447 80 M 4.3364 8.7590 124.1390 53.8758 30.2246 175.2713 81 F 4.3564 7.4425 118.7252 58.8758 39.9771 176.1279 82 G 3.9610 9.1451 112.5546 45.8906 0.0000 172.6657 83 C 4.3460 7.8370 120.2680 59.1238 31.8259 173.4700 84 R 4.4957 8.6273 123.5619 55.5933 31.2870 174.4754 85 D 4.8468 7.7898 118.9082 51.7238 42.4745 174.6516 86 P 4.3156 0.0000 0.0000 66.0402 31.3360 178.4413 87 M 4.1011 8.2690 117.4387 58.4223 31.9226 178.5756 88 Q 3.9847 7.8818 119.6023 59.0544 29.2254 178.5465 89 V 3.6163 7.7452 118.7350 66.1011 31.7301 177.7570 90 L 4.0359 7.9536 118.7193 58.0343 41.3673 179.8511 91 R 3.9921 8.2672 117.9838 59.2628 29.8887 178.9876 92 E 4.0986 8.2709 118.2270 59.1619 29.3520 179.4351 93 I 3.5373 7.7077 120.1010 64.2614 37.3277 178.4460 94 V 3.4755 7.7185 118.7729 66.0253 31.3272 177.9220 95 A 3.9595 8.1396 120.5654 55.1544 18.2546 179.1706 96 C 2.0000 7.7035 117.6792 62.1150 30.9841 175.9982 97 T 3.8132 7.6850 111.0898 64.1064 68.0726 176.5261 98 K 3.8582 7.4916 121.6994 59.2623 32.3358 178.3643 99 A 3.9820 7.6092 120.0939 53.5032 19.7414 177.6801 100 F 4.7360 7.7007 115.6295 55.0331 38.9632 174.1579 101 P 4.4126 0.0000 0.0000 64.2582 31.8248 177.8738 102 D 4.6666 8.0687 116.5404 53.8856 41.3215 175.4980 103 A 4.7521 7.3452 121.4365 50.5779 21.1225 176.9693 104 Y 4.2910 8.6606 117.8659 57.7943 39.4739 175.2402 105 V 5.2381 8.9570 123.3073 61.1430 35.2191 174.2830 106 R 5.0063 9.3793 123.6391 54.2755 32.9483 173.8417 107 L 4.6214 8.1291 123.8362 54.1752 43.7740 175.7256 108 V 4.8838 8.5474 117.8780 59.5988 36.5357 174.1382 109 A 4.9710 8.1994 122.1301 50.4839 22.8539 175.1681 110 F 5.2282 9.0979 119.8130 55.7751 42.4520 174.1125 111 D 5.3814 8.7237 122.4794 52.9469 42.4445 176.6376 112 N 4.8213 9.0844 122.1218 53.7143 38.5824 176.3343 113 Q 4.1747 8.7093 118.6629 58.9754 28.9570 177.5828 114 K 4.0730 8.2565 114.5701 56.8737 32.7879 176.6438 115 Q 3.4076 7.8896 116.8119 55.4193 26.8871 172.3823 116 V 4.3402 7.9195 116.0293 59.9928 34.8336 173.3872 117 Q 4.3157 8.9480 123.7182 56.8252 29.1554 175.6988 118 I 4.1891 7.7185 124.8358 60.7529 39.1708 174.3777 119 M 4.3074 6.7113 116.6919 55.2796 33.8950 173.8412 120 G 4.3570 8.4631 106.1037 46.1675 0.0000 172.4343 121 F 5.1239 7.7677 117.0407 55.1191 41.6766 173.1828 122 L 4.6002 8.8824 123.1664 55.6937 42.1272 176.8224 123 V 4.5844 9.0211 117.8361 61.3516 33.9742 175.6056 124 Q 4.6666 7.8221 121.3643 54.6957 32.3270 172.9775 125 R 4.4737 8.2806 122.2433 52.9590 32.6332 173.6771 126 P 4.1803 0.0000 0.0000 62.6669 31.6536 177.4447 127 K 4.0816 8.4523 119.7441 59.1889 32.6924 177.5635 128 T 4.1822 7.6532 108.1713 61.6583 69.3863 174.6143 129 A 4.1741 7.7467 126.9004 52.6921 18.6123 177.6368 130 R 4.5760 8.6928 120.4739 56.0466 31.5920 175.7754 131 D 4.8812 8.1189 117.7579 52.7097 39.7483 175.5806 *132 F 5.0843 7.7424 112.8700 55.4449 40.6651 173.6645 133 Q 4.6523 8.2111 120.2747 53.1060 31.1726 174.1781 134 P 4.3696 0.0000 0.0000 62.2850 32.1298 176.9427 135 A 3.9274 8.8068 123.3387 55.6138 18.1962 179.2276 136 N 4.6573 8.0543 109.8436 54.0693 37.8829 175.6024 137 K 4.4741 7.8675 117.8839 56.3320 32.8021 177.3925 138 R 3.5922 7.5847 120.2789 57.7931 30.1244 176.7382 139 S 5.0343 7.5066 110.3172 56.3072 65.9864 174.2412 140 V 3.9988 8.5178 114.7314 61.7411 32.1263 175.5990 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 2 M 8.30 4.54 0.00 1.99 2.14 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.58 0.00 3 V 8.05 4.14 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 1.11 0.00 0.00 0.97 0.00 0.00 4 W 9.08 4.48 0.00 3.41 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 5 T 7.91 4.06 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 1.09 0.00 0.00 6 P 0.00 4.47 0.00 2.23 2.19 0.00 3.78 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 1.96 1.96 0.00 7 V 7.41 3.91 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 8 N 8.67 4.16 0.00 2.81 2.91 0.00 0.00 6.83 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 N 7.40 5.00 0.00 2.47 2.64 0.00 0.00 7.32 6.68 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 10 K 8.21 4.07 0.00 1.90 1.53 0.00 0.61 0.00 0.00 1.22 0.00 0.00 2.33 0.00 0.00 2.28 0.00 0.00 0.00 0.00 1.28 1.37 7.81 11 M 8.30 4.98 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.64 0.00 12 F 8.48 4.59 0.00 3.15 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 13 E 8.31 3.46 0.00 2.12 1.73 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 2.18 2.12 0.00 14 T 8.37 3.81 4.18 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 0.20 0.00 0.00 15 F 9.07 4.58 0.00 3.30 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.07 4.54 0.00 4.17 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 0.00 17 Y 8.24 4.39 0.00 3.02 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.57 4.69 0.00 1.87 1.61 0.86 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.39 0.00 2.02 1.99 0.00 3.71 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 2.02 2.13 0.00 20 P 0.00 4.25 0.00 2.03 2.03 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 2.04 2.15 0.00 21 L 8.32 4.04 0.00 1.59 1.47 0.41 0.50 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 22 T 8.19 4.21 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 1.18 0.00 0.00 23 D 8.63 4.35 0.00 2.70 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 24 E 8.09 3.98 0.00 2.01 1.91 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 2.35 2.38 0.00 25 Q 7.90 4.00 0.00 2.30 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.59 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 26 I 8.07 3.72 1.93 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.89 1.10 0.00 0.00 27 A 8.13 4.05 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 28 A 7.86 3.96 1.32 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 29 Q 7.90 4.09 0.00 2.43 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.75 0.00 0.00 0.00 0.00 0.00 2.34 1.87 0.00 30 V 8.17 3.76 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 1.15 0.00 0.00 1.14 0.00 0.00 31 D 8.45 4.43 0.00 2.99 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 32 Y 8.16 4.23 0.00 3.22 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 I 8.02 3.96 2.16 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 1.73 1.41 1.09 0.00 0.00 34 V 7.87 3.52 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 1.00 0.00 0.00 1.01 0.00 0.00 35 A 8.19 3.94 1.25 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 36 N 7.03 4.09 0.00 1.44 1.42 0.00 0.00 7.04 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 G 7.26 3.78 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 0.00 0.00 0.00 38 W 7.42 4.90 0.00 3.37 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 I 8.97 4.36 2.12 0.00 0.00 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 1.46 0.83 0.71 0.00 0.00 40 P 0.00 4.89 0.00 2.10 2.00 0.00 3.82 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.14 0.00 41 C 8.60 4.97 0.00 3.11 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 42 L 8.66 5.31 0.00 1.87 1.65 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 43 E 9.12 5.59 0.00 2.07 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 2.31 0.00 44 F 9.15 5.60 0.00 3.05 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 45 A 8.42 4.56 -0.16 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 46 E 8.66 4.28 0.00 2.18 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 0.00 2.30 2.27 0.00 47 A 8.92 4.32 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 48 D 8.18 4.47 0.00 2.70 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 49 K 7.92 4.58 0.00 1.52 1.70 0.00 1.70 0.00 0.00 1.86 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.34 1.43 7.81 50 A 7.64 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 Y 7.40 4.61 0.00 2.94 2.77 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 52 V 8.26 3.80 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 0.59 0.00 0.00 0.73 0.00 0.00 53 S 8.89 4.71 0.00 4.06 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 0.00 54 N 8.61 5.10 0.00 2.74 2.85 0.00 0.00 6.56 7.66 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 55 E 8.32 4.02 0.00 2.14 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 56 S 8.73 4.07 0.00 4.00 3.78 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 57 A 7.96 2.58 1.06 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 58 I 6.90 3.49 1.78 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 1.48 0.81 0.85 0.00 0.00 59 R 7.39 4.31 0.00 1.92 2.00 0.00 3.20 0.00 0.00 3.22 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 60 F 7.32 5.05 0.00 2.96 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 61 G 8.23 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 62 S 8.44 4.59 0.00 3.86 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 V 7.31 4.44 1.87 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 0.79 0.00 0.00 0.51 0.00 0.00 64 S 8.19 4.32 0.00 4.10 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 0.00 65 C 7.27 3.95 0.00 3.15 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 66 L 8.46 3.65 0.00 1.79 1.77 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 67 Y 7.69 4.46 0.00 2.93 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 68 Y 7.36 4.93 0.00 2.80 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 69 D 8.81 4.51 0.00 2.81 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 70 N 8.91 4.47 0.00 3.06 3.24 0.00 0.00 7.00 7.66 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 71 R 8.00 3.95 0.00 1.52 1.69 0.00 3.07 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.57 0.00 72 Y 7.71 4.36 0.00 3.05 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 73 W 8.70 5.02 0.00 3.09 3.18 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 74 T 8.19 4.28 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 75 M 8.62 4.57 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.79 0.00 76 W 9.66 4.86 0.00 3.68 3.30 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 77 K 8.57 3.48 0.00 1.71 0.74 0.00 1.76 0.00 0.00 1.58 0.00 0.00 2.80 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.87 0.21 7.81 78 L 8.35 4.91 0.00 1.60 1.57 1.01 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 79 P 0.00 4.30 0.00 0.72 1.81 0.00 3.67 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 1.96 2.15 0.00 80 M 8.76 4.34 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.55 0.00 81 F 7.44 4.36 0.00 3.11 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 82 G 9.15 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 83 C 7.84 4.35 0.00 2.98 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 84 R 8.63 4.50 0.00 1.80 1.89 0.00 3.38 0.00 0.00 3.16 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.53 0.00 85 D 7.79 4.85 0.00 2.67 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 86 P 0.00 4.32 0.00 2.22 2.12 0.00 3.68 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 87 M 8.27 4.10 0.00 2.07 2.26 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.71 0.00 88 Q 7.88 3.98 0.00 2.21 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 89 V 7.75 3.62 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 1.06 0.00 0.00 1.03 0.00 0.00 90 L 7.95 4.04 0.00 1.91 1.73 0.95 1.03 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 91 R 8.27 3.99 0.00 2.03 2.01 0.00 3.15 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 92 E 8.27 4.10 0.00 2.27 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 0.00 2.59 2.66 0.00 93 I 7.71 3.54 2.01 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 1.36 0.72 0.87 0.00 0.00 94 V 7.72 3.48 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.96 0.00 0.00 95 A 8.14 3.96 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 96 C 7.70 2.00 0.00 1.57 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 T 7.69 3.81 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 1.17 0.00 0.00 98 K 7.49 3.86 0.00 1.88 1.93 0.00 1.77 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.38 1.39 7.81 99 A 7.61 3.98 1.23 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 0.00 0.00 0.00 100 F 7.70 4.74 0.00 2.92 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 0.00 101 P 0.00 4.41 0.00 2.12 2.12 0.00 3.29 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.87 0.00 102 D 8.07 4.67 0.00 2.68 2.69 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 0.00 0.00 0.00 103 A 7.35 4.75 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 0.00 104 Y 8.66 4.29 0.00 2.55 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 0.00 105 V 8.96 5.24 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 0.88 0.00 0.00 0.90 0.00 0.00 106 R 9.38 5.01 0.00 1.89 1.97 0.00 2.37 0.00 0.00 2.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.36 0.00 107 L 8.13 4.62 0.00 1.54 0.75 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 108 V 8.55 4.88 1.64 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 0.42 0.00 0.00 0.56 0.00 0.00 109 A 8.20 4.97 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 0.00 110 F 9.10 5.23 0.00 2.98 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 0.00 111 D 8.72 5.38 0.00 2.46 2.47 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 0.00 112 N 9.08 4.82 0.00 2.93 3.05 0.00 0.00 6.25 7.39 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 0.00 113 Q 8.71 4.17 0.00 2.24 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.02 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 114 K 8.26 4.07 0.00 1.76 1.87 0.00 2.06 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.46 7.81 115 Q 7.89 3.41 0.00 2.12 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.76 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 116 V 7.92 4.34 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 0.54 0.00 0.00 0.91 0.00 0.00 117 Q 8.95 4.32 0.00 2.07 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.17 1.94 0.00 118 I 7.72 4.19 1.27 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 0.15 0.61 -0.69 0.00 0.00 119 M 6.71 4.31 0.00 2.07 2.21 0.00 0.00 0.00 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.63 0.00 120 G 8.46 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 0.00 0.00 0.00 0.00 121 F 7.77 5.12 0.00 3.27 3.38 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 0.00 122 L 8.88 4.60 0.00 1.70 1.70 0.73 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 123 V 9.02 4.58 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 0.73 0.00 0.00 0.93 0.00 0.00 124 Q 7.82 4.67 0.00 2.03 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.82 0.00 0.00 0.00 0.00 0.00 2.30 2.26 0.00 125 R 8.28 4.47 0.00 1.33 1.68 0.00 3.10 0.00 0.00 3.32 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.45 0.00 126 P 0.00 4.18 0.00 2.08 2.22 0.00 2.21 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 127 K 8.45 4.08 0.00 1.85 1.94 0.00 1.53 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.34 1.38 7.81 128 T 7.65 4.18 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 0.00 129 A 7.75 4.17 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 R 8.69 4.58 0.00 1.80 1.94 0.00 3.36 0.00 0.00 3.28 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.52 0.00 131 D 8.12 4.88 0.00 2.85 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 *132 F 7.74 5.08 0.00 2.40 2.39 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 0.00 133 Q 8.21 4.65 0.00 1.86 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 7.04 0.00 0.00 0.00 0.00 0.00 2.31 2.17 0.00 134 P 0.00 4.37 0.00 2.32 2.15 0.00 3.67 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.93 0.00 135 A 8.81 3.93 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 N 8.05 4.66 0.00 2.84 2.94 0.00 0.00 5.85 7.13 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 0.00 137 K 7.87 4.47 0.00 1.65 1.74 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.32 1.32 7.81 138 R 7.58 3.59 0.00 1.58 0.66 0.00 3.01 0.00 0.00 2.93 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.51 0.00 139 S 7.51 5.03 0.00 4.02 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 0.00 140 V 8.52 4.00 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 0.62 0.00 0.00 0.97 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.