NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4405 8.3044 118.2217 55.6592 32.3829 174.6349 2 T 3.8233 8.5208 115.5000 60.7108 70.6078 172.4078 3 H 3.9822 8.4485 128.6602 55.7975 26.8156 172.7688 4 D 3.9948 7.8436 120.0533 54.9515 41.8865 177.2706 5 N 4.7172 8.2339 116.5180 52.7524 38.2149 175.3472 6 K 4.4425 8.3695 116.3086 57.0330 33.3202 177.1686 7 L 4.1478 7.9650 121.5355 56.8139 41.9169 177.5882 *8 Q 4.5787 7.2739 110.3368 54.1054 29.8472 179.1748 9 V 4.7068 8.1400 123.4626 61.8757 32.4095 174.7857 10 E 4.4471 7.4265 122.5155 54.7671 32.6787 177.3729 11 A 3.7079 7.5763 119.4048 52.4069 16.1150 176.4638 12 I 4.4424 8.1790 118.2259 59.5232 39.5982 175.1532 13 K 3.8619 8.2746 121.4236 55.7052 33.9661 171.7973 14 R 4.7476 7.9592 131.5027 55.0121 31.3334 176.0245 15 G 3.1997 7.3996 111.2383 43.9230 0.0000 171.1017 16 T 4.9200 8.0694 116.5903 61.5952 71.8888 173.9630 17 V 4.6926 8.5168 124.2313 61.2826 34.8161 174.2077 18 I 4.6915 8.6083 129.5708 60.1051 38.5597 174.4563 19 D 5.0486 8.7733 126.6883 52.3748 44.6841 174.8302 20 H 4.2423 8.3934 114.4841 56.8806 26.1194 175.0838 21 I 4.2766 7.2752 118.7713 59.8787 38.2615 174.7820 22 P 4.5685 0.0000 0.0000 62.2059 31.9012 175.6465 23 A 4.1673 8.3745 123.2061 53.9624 18.6542 178.1564 24 Q 3.7122 8.8308 118.3682 56.9027 26.9007 175.1324 25 I 4.2580 7.6896 119.6706 63.0583 37.3803 178.0225 26 G 3.7871 8.0966 106.6509 47.9654 0.0000 175.3725 27 F 4.0856 8.2777 123.1026 60.5504 39.4936 176.4632 28 K 3.7256 8.3386 118.8822 59.9029 31.8122 178.3334 29 L 4.1279 8.1380 118.9980 57.6464 41.3876 179.4653 30 L 3.9147 7.8369 119.2239 57.7703 41.3428 179.8447 31 S 3.8775 7.7946 114.3436 61.3697 62.8716 176.4750 32 L 3.6420 7.9145 121.9940 56.7115 41.3321 178.0694 33 F 4.6095 7.7317 115.2158 57.5541 39.2928 176.0301 34 K 3.9353 7.5530 118.1410 57.3025 29.9122 176.9822 35 L 4.0611 7.5650 121.3025 57.5642 41.8225 179.0885 36 T 4.1127 7.7173 107.1556 63.2285 69.6300 175.2790 37 E 4.3426 7.5183 124.4776 54.4975 27.8879 174.9105 38 T 4.5898 7.2050 113.3743 61.2117 70.7753 172.8019 39 D 4.7146 8.4109 123.3658 54.2954 41.5016 177.1520 40 Q 4.1989 7.5910 118.4796 55.5054 29.5863 175.6981 41 R 4.2954 8.3537 118.9119 55.9845 31.1795 175.6131 42 I 4.9142 8.3494 124.8912 60.0404 39.5048 175.2619 43 T 4.7743 8.8849 122.2170 61.8766 71.9939 173.1565 44 I 5.0020 8.4147 124.7863 59.5064 41.4752 174.7225 45 G 4.1809 9.1018 113.1889 44.3958 0.0000 171.6676 46 L 5.1060 8.5259 124.8933 53.7316 44.3202 176.2462 47 N 4.1519 9.2497 119.9473 54.1753 35.9985 173.2154 48 L 4.8463 8.5655 121.0749 52.2186 45.5391 174.2270 49 P 5.0484 0.0000 0.0000 62.6273 32.7864 175.2696 50 S 4.4937 9.5247 118.1876 58.6332 67.2968 173.7115 51 G 3.8771 8.0126 106.5271 44.2563 0.0000 173.5649 52 E 4.7510 8.6982 124.9748 57.0528 27.2901 175.9901 53 M 4.5896 8.9112 121.0046 53.9337 34.4106 176.6083 54 G 4.2665 8.0815 114.0775 44.3371 0.0000 172.4429 55 R 5.8029 7.6599 119.1643 52.7153 33.2750 173.9530 56 K 4.8709 8.4227 123.4291 55.8296 36.7228 173.9809 57 D 5.4346 8.8458 118.1689 53.0407 45.3826 174.8603 58 L 4.8680 8.5173 120.3063 54.1644 46.2572 174.1162 59 I 4.8921 8.6005 125.0133 59.4180 41.2676 174.4619 60 K 4.9469 9.5732 125.7019 54.6953 35.5504 175.2610 61 I 4.6073 8.6949 126.8083 59.2648 39.7090 175.2972 62 E 4.3376 8.7696 127.3315 56.9697 30.4253 178.4472 63 N 4.2080 8.7237 117.3425 54.2696 37.7879 174.5987 64 T 4.5212 7.4083 115.4377 61.7251 70.1927 173.7295 65 F 4.8772 8.9173 122.8949 54.3532 41.6190 174.2064 66 L 4.7868 8.4729 126.0710 54.0402 42.2274 175.7942 67 S 4.4535 8.8144 117.1985 57.4908 66.4720 173.4404 68 E 3.7821 8.2177 119.3370 57.7844 30.1796 175.8541 69 D 4.4822 7.6348 116.7918 56.8311 41.3008 178.8722 70 Q 3.9415 7.9973 118.2014 59.0089 28.9929 178.6663 71 V 3.6498 7.7194 118.6580 66.0636 31.5764 177.5446 72 D 4.4435 7.7672 117.8238 56.8050 40.4734 178.3332 73 Q 4.1395 7.8262 119.4106 58.6419 29.2270 177.5866 74 L 4.0930 7.5599 118.7769 56.3774 41.5959 178.7932 75 A 3.9720 7.9002 123.1908 55.1167 18.3915 178.9248 76 L 4.2148 7.8003 112.1480 56.4506 40.8769 176.5929 77 Y 4.5664 7.5886 116.6322 59.3996 40.4189 176.3967 78 A 4.8058 8.3771 121.6865 50.2889 19.1510 175.0776 79 P 4.3819 0.0000 0.0000 64.3933 32.2418 178.1824 80 Q 4.4833 7.9325 116.3265 55.5152 29.0190 175.1203 81 A 4.8437 7.4749 120.0340 51.2458 20.0362 177.7578 82 T 4.7317 8.9119 114.8233 61.9326 72.9139 174.0069 83 V 4.6603 8.9388 126.1076 61.3406 33.4061 173.6579 84 N 5.3691 9.0813 126.4562 52.1072 40.5269 174.4743 85 R 5.1871 9.1984 119.9410 54.4824 32.4419 174.5636 86 I 5.0763 8.8258 123.5684 59.6604 40.5876 174.2713 87 D 4.6915 9.2698 125.7327 53.2801 44.6615 174.6429 88 N 3.8645 9.2785 125.1674 55.6114 37.1029 173.0270 89 Y 3.7727 7.3076 109.6312 58.6071 36.6874 170.0887 90 E 4.6892 8.0332 120.9729 54.1375 31.6418 176.0633 91 V 4.1247 8.2144 126.1745 63.1395 29.4445 175.1711 92 V 4.0928 8.3458 121.0838 60.9563 32.4253 176.5195 93 G 3.9850 7.3956 104.6666 45.8268 0.0000 172.8771 94 K 5.0684 9.0047 124.3418 54.9748 34.4910 175.6597 95 S 4.9254 9.0006 121.4718 56.8350 66.0746 173.6690 96 R 4.9669 8.1843 118.8732 53.8555 33.7401 173.8809 97 P 4.6085 0.0000 0.0000 62.3578 32.1813 175.9713 98 S 4.8157 8.5988 115.4174 55.7421 65.8463 174.0046 99 L 3.9614 8.4061 121.7386 54.4520 41.6071 175.9151 100 P 4.6167 0.0000 0.0000 62.4819 32.6032 175.4133 101 E 4.5354 8.5580 114.5785 57.1611 31.2861 176.0018 102 R 5.1924 7.7698 117.6380 53.8627 34.6088 174.9131 103 I 4.5764 8.4787 122.5103 59.8348 40.3037 174.5213 104 D 4.9972 8.7761 127.0056 54.3736 42.3723 178.1098 105 N 4.4687 9.1514 122.5372 54.8161 38.2977 176.4079 106 V 3.6723 8.0898 116.2715 64.2329 31.8461 175.7151 107 L 4.5666 7.7291 118.5928 53.0812 43.4865 175.4706 108 V 4.4466 7.7031 118.2432 60.9680 33.7642 174.3464 109 C 4.5781 8.9115 127.5152 59.0461 31.7342 172.3316 110 P 3.7801 0.0000 0.0000 64.2127 31.3157 175.9213 111 N 4.6319 7.5639 118.2864 52.4868 38.1716 175.5820 112 S 4.1776 8.6866 121.2545 60.1712 63.1762 174.3190 113 N 4.7809 8.3615 118.8979 53.3320 38.7561 174.2001 114 C 4.5255 8.0670 112.7256 57.7686 30.9138 174.6528 115 I 3.7705 8.1830 121.0169 63.5542 37.7994 178.0799 116 S 3.8366 7.6770 113.6799 61.0013 62.9058 175.4145 117 H 4.1474 7.8646 117.8398 59.0284 28.4040 176.9382 118 A 4.3932 7.5441 118.4156 52.7874 18.4227 176.5909 119 E 4.7830 7.7462 114.7205 53.7019 33.7567 175.1254 120 P 4.6732 0.0000 0.0000 62.7806 30.4890 176.5448 121 V 4.5340 8.2147 111.2958 60.6449 34.8384 175.5866 122 S 4.9982 8.3226 116.9121 56.5221 65.3324 174.0154 123 S 4.5404 8.5268 115.6257 59.1012 64.6529 172.8697 124 S 5.1164 8.1220 114.2894 57.4180 65.6730 172.7615 125 F 5.2495 8.9601 124.7849 55.4976 42.6163 174.0556 126 A 4.5415 9.0529 125.8208 51.6422 19.7089 176.6217 127 V 4.5236 8.2510 122.5010 62.2341 32.9730 175.5875 128 R 4.5512 8.5851 124.8757 55.1745 34.7368 172.9369 129 K 3.6125 9.0479 125.3950 55.9806 30.1103 174.6928 130 R 3.7874 8.5209 124.4979 57.6159 30.5808 175.3492 131 A 3.6502 8.6567 121.3651 54.5832 17.9816 177.7152 132 N 4.4186 7.7642 111.9831 53.7013 37.6868 174.3782 133 D 4.6270 9.0766 119.0647 54.8625 38.7681 174.1456 134 I 3.4999 6.5806 120.5272 56.8016 36.8348 173.1634 135 A 5.3075 8.6588 127.7086 50.0195 22.0935 174.8572 136 L 5.2057 8.8063 121.3373 52.8059 45.1693 175.3541 137 K 5.0524 9.0829 125.8745 54.4069 34.3885 174.8693 138 C 3.5983 8.9057 128.8093 59.1897 32.0705 173.8750 139 K 3.4872 8.1720 128.1636 60.1214 31.6619 177.4925 140 Y 4.1734 7.9267 116.0285 60.4840 38.3041 176.2285 141 C 4.3727 8.0929 112.2192 57.9946 30.6281 172.9112 142 E 4.0442 7.8533 118.2167 56.4444 26.9956 174.0024 143 K 4.4175 7.8278 118.0561 54.5123 35.0560 174.0679 144 E 4.9505 8.2722 127.8794 54.6078 31.2119 174.6501 145 F 5.0795 8.9551 124.5297 55.4167 43.7957 174.2593 146 S 4.7660 8.6783 114.7732 57.6851 63.3160 174.5085 147 H 4.1292 9.0304 123.1636 58.9901 28.3689 177.2117 148 N 4.1081 8.0674 116.3336 56.1533 38.4443 177.0203 149 V 3.6897 7.8085 119.4406 65.9753 31.4982 178.3665 150 V 3.5922 7.5592 116.0363 65.0295 31.4171 175.4766 151 L 4.4921 7.5942 117.7164 54.9691 42.0437 177.2200 152 A 4.4829 7.7413 119.1748 54.8990 21.8911 176.9004 153 N 4.2839 7.3279 115.6883 52.0251 37.7498 174.1939 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.30 4.44 0.00 2.12 2.10 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.56 0.00 2 T 8.52 3.82 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 1.28 0.00 0.00 3 H 8.45 3.98 0.00 3.28 3.24 0.00 5.82 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 D 7.84 3.99 0.00 2.84 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 N 8.23 4.72 0.00 3.13 3.08 0.00 0.00 5.64 7.55 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 6 K 8.37 4.44 0.00 1.88 1.95 0.00 1.57 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.34 1.44 7.81 7 L 7.96 4.15 0.00 1.62 1.76 1.02 1.23 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 *8 Q 7.27 4.58 0.00 2.01 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.04 0.00 0.00 0.00 0.00 0.00 2.05 1.77 0.00 9 V 8.14 4.71 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 1.17 0.00 0.00 0.95 0.00 0.00 10 E 7.43 4.45 0.00 2.32 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 2.44 0.00 11 A 7.58 3.71 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 I 8.18 4.44 1.84 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.66 0.96 0.00 0.00 13 K 8.27 3.86 0.00 1.24 0.74 0.00 1.60 0.00 0.00 1.47 0.00 0.00 2.47 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.18 1.25 7.81 14 R 7.96 4.75 0.00 1.96 1.95 0.00 3.71 0.00 0.00 3.68 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.58 0.00 15 G 7.40 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 0.00 0.00 0.00 16 T 8.07 4.92 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 1.20 0.00 0.00 17 V 8.52 4.69 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 1.04 0.00 0.00 0.91 0.00 0.00 18 I 8.61 4.69 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.62 0.89 0.00 0.00 19 D 8.77 5.05 0.00 2.73 2.45 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 0.00 20 H 8.39 4.24 0.00 3.46 3.31 0.00 5.66 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 I 7.28 4.28 1.96 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 1.32 0.62 0.98 0.00 0.00 22 P 0.00 4.57 0.00 2.22 2.02 0.00 3.66 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 2.16 2.13 0.00 23 A 8.37 4.17 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 24 Q 8.83 3.71 0.00 2.26 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.97 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 25 I 7.69 4.26 1.94 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 1.63 1.28 1.08 0.00 0.00 26 G 8.10 3.79 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 0.00 0.00 0.00 0.00 27 F 8.28 4.09 0.00 3.13 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 28 K 8.34 3.73 0.00 1.89 1.93 0.00 1.87 0.00 0.00 1.92 0.00 0.00 3.17 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.35 1.56 7.81 29 L 8.14 4.13 0.00 1.88 1.75 0.92 0.95 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 30 L 7.84 3.91 0.00 1.53 1.47 0.89 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 31 S 7.79 3.88 0.00 3.78 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 32 L 7.91 3.64 0.00 1.40 0.70 0.72 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 33 F 7.73 4.61 0.00 3.15 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 34 K 7.55 3.94 0.00 1.84 2.04 0.00 1.79 0.00 0.00 1.56 0.00 0.00 2.84 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.36 1.52 7.81 35 L 7.57 4.06 0.00 1.57 1.72 0.91 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.72 4.11 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 37 E 7.52 4.34 0.00 1.92 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 2.30 2.22 0.00 38 T 7.20 4.59 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 39 D 8.41 4.71 0.00 2.70 2.68 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 40 Q 7.59 4.20 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.94 6.84 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 41 R 8.35 4.30 0.00 1.75 1.85 0.00 3.10 0.00 0.00 3.34 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.65 0.00 42 I 8.35 4.91 1.86 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 0.69 0.92 0.00 0.00 43 T 8.88 4.77 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 1.22 0.00 0.00 44 I 8.41 5.00 1.90 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 1.29 0.61 0.98 0.00 0.00 45 G 9.10 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 0.00 0.00 0.00 0.00 46 L 8.53 5.11 0.00 1.50 1.57 0.98 1.13 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 47 N 9.25 4.15 0.00 2.80 2.84 0.00 0.00 6.90 7.86 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 48 L 8.57 4.85 0.00 1.55 1.56 0.92 0.91 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 49 P 0.00 5.05 0.00 2.07 2.06 0.00 3.94 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.95 0.00 50 S 9.52 4.49 0.00 3.83 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 51 G 8.01 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 52 E 8.70 4.75 0.00 1.97 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 53 M 8.91 4.59 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.45 0.00 54 G 8.08 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 0.00 0.00 0.00 0.00 55 R 7.66 5.80 0.00 1.79 1.78 0.00 3.01 0.00 0.00 3.94 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 56 K 8.42 4.87 0.00 1.98 1.90 0.00 1.56 0.00 0.00 1.81 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.45 7.81 57 D 8.85 5.43 0.00 2.60 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 L 8.52 4.87 0.00 1.69 1.44 0.95 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.60 4.89 1.86 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 1.23 0.70 0.89 0.00 0.00 60 K 9.57 4.95 0.00 1.72 1.65 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.36 7.81 61 I 8.69 4.61 1.76 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.64 0.85 0.00 0.00 62 E 8.77 4.34 0.00 1.90 1.80 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 2.27 2.24 0.00 63 N 8.72 4.21 0.00 2.81 2.93 0.00 0.00 6.88 7.26 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 64 T 7.41 4.52 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 1.18 0.00 0.00 65 F 8.92 4.88 0.00 2.95 2.94 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 66 L 8.47 4.79 0.00 1.90 1.64 0.87 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.81 4.45 0.00 3.95 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 68 E 8.22 3.78 0.00 2.16 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 2.29 2.37 0.00 69 D 7.63 4.48 0.00 2.74 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 70 Q 8.00 3.94 0.00 2.24 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.97 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 71 V 7.72 3.65 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 1.05 0.00 0.00 0.92 0.00 0.00 72 D 7.77 4.44 0.00 2.90 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 73 Q 7.83 4.14 0.00 2.25 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.97 0.00 0.00 0.00 0.00 0.00 2.66 2.74 0.00 74 L 7.56 4.09 0.00 1.73 1.64 0.82 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 75 A 7.90 3.97 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 76 L 7.80 4.21 0.00 1.50 1.65 0.86 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 77 Y 7.59 4.57 0.00 3.33 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 78 A 8.38 4.81 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 79 P 0.00 4.38 0.00 2.19 2.38 0.00 3.77 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 2.00 1.99 0.00 80 Q 7.93 4.48 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.08 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 81 A 7.47 4.84 1.34 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 0.00 0.00 0.00 82 T 8.91 4.73 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 1.36 0.00 0.00 83 V 8.94 4.66 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 1.05 0.00 0.00 0.92 0.00 0.00 84 N 9.08 5.37 0.00 2.69 2.73 0.00 0.00 6.31 7.89 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 85 R 9.20 5.19 0.00 2.08 2.13 0.00 2.78 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.83 0.00 86 I 8.83 5.08 2.04 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 1.15 0.62 0.95 0.00 0.00 87 D 9.27 4.69 0.00 2.79 2.48 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 88 N 9.28 3.86 0.00 2.81 2.79 0.00 0.00 7.27 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 89 Y 7.31 3.77 0.00 3.20 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 90 E 8.03 4.69 0.00 2.06 1.80 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 2.23 2.28 0.00 91 V 8.21 4.12 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 0.90 0.00 0.00 0.97 0.00 0.00 92 V 8.35 4.09 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 0.76 0.00 0.00 0.93 0.00 0.00 93 G 7.40 3.98 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 0.00 0.00 0.00 94 K 9.00 5.07 0.00 1.62 1.76 0.00 1.74 0.00 0.00 1.73 0.00 0.00 2.78 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.59 1.44 7.81 95 S 9.00 4.93 0.00 3.76 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 96 R 8.18 4.97 0.00 1.63 1.77 0.00 3.21 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 97 P 0.00 4.61 0.00 2.04 2.15 0.00 3.77 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 98 S 8.60 4.82 0.00 3.92 3.79 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 0.00 99 L 8.41 3.96 0.00 1.65 1.67 0.89 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 100 P 0.00 4.62 0.00 2.41 2.11 0.00 3.76 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 101 E 8.56 4.54 0.00 2.07 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 2.30 2.34 0.00 102 R 7.77 5.19 0.00 1.68 1.96 0.00 3.19 0.00 0.00 2.25 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.50 0.00 103 I 8.48 4.58 2.02 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 1.45 1.63 1.09 0.00 0.00 104 D 8.78 5.00 0.00 2.75 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 0.00 105 N 9.15 4.47 0.00 2.87 2.97 0.00 0.00 6.90 7.28 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 0.00 106 V 8.09 3.67 2.21 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 0.70 0.00 0.00 0.44 0.00 0.00 107 L 7.73 4.57 0.00 1.65 1.25 0.81 0.72 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 0.00 108 V 7.70 4.45 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 0.87 0.00 0.00 0.95 0.00 0.00 109 C 8.91 4.58 0.00 3.24 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 0.00 110 P 0.00 3.78 0.00 1.25 1.77 0.00 2.62 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.70 0.00 111 N 7.56 4.63 0.00 3.13 2.96 0.00 0.00 6.79 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 0.00 112 S 8.69 4.18 0.00 3.98 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 0.00 113 N 8.36 4.78 0.00 2.72 3.00 0.00 0.00 7.16 7.17 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 0.00 114 C 8.07 4.53 0.00 3.24 3.13 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 0.00 0.00 0.00 0.00 115 I 8.18 3.77 1.84 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 1.41 1.09 0.75 0.00 0.00 116 S 7.68 3.84 0.00 3.81 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 H 7.86 4.15 0.00 3.31 3.39 0.00 5.81 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 A 7.54 4.39 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 0.00 119 E 7.75 4.78 0.00 1.86 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.34 0.00 120 P 0.00 4.67 0.00 2.17 2.15 0.00 3.67 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.99 0.00 121 V 8.21 4.53 2.18 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 0.74 0.00 0.00 0.61 0.00 0.00 122 S 8.32 5.00 0.00 3.98 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 0.00 123 S 8.53 4.54 0.00 4.23 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 0.00 124 S 8.12 5.12 0.00 3.87 3.54 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 0.00 125 F 8.96 5.25 0.00 3.08 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 0.00 126 A 9.05 4.54 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 0.00 127 V 8.25 4.52 2.25 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 0.78 0.00 0.00 0.98 0.00 0.00 128 R 8.59 4.55 0.00 1.74 1.74 0.00 3.33 0.00 0.00 3.09 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 129 K 9.05 3.61 0.00 1.85 1.81 0.00 1.79 0.00 0.00 1.78 0.00 0.00 2.78 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.40 7.81 130 R 8.52 3.79 0.00 1.80 1.82 0.00 3.55 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 131 A 8.66 3.65 1.34 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 0.00 0.00 0.00 132 N 7.76 4.42 0.00 2.82 2.96 0.00 0.00 6.25 8.06 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 0.00 133 D 9.08 4.63 0.00 2.78 3.06 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 0.00 134 I 6.58 3.50 1.46 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.94 0.85 0.00 0.00 135 A 8.66 5.31 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 0.00 136 L 8.81 5.21 0.00 1.68 1.69 0.76 0.70 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 0.00 137 K 9.08 5.05 0.00 1.83 1.69 0.00 1.61 0.00 0.00 1.56 0.00 0.00 2.77 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.31 1.32 7.81 138 C 8.91 3.60 0.00 3.20 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 0.00 139 K 8.17 3.49 0.00 1.62 1.32 0.00 1.59 0.00 0.00 1.08 0.00 0.00 2.49 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.73 1.12 7.81 140 Y 7.93 4.17 0.00 2.96 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 C 8.09 4.37 0.00 3.15 3.13 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 0.00 0.00 0.00 0.00 142 E 7.85 4.04 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.36 0.00 143 K 7.83 4.42 0.00 1.88 1.40 0.00 1.53 0.00 0.00 1.69 0.00 0.00 3.15 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.18 7.81 144 E 8.27 4.95 0.00 1.91 1.68 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 2.17 2.43 0.00 145 F 8.96 5.08 0.00 3.01 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 0.00 146 S 8.68 4.77 0.00 3.91 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 0.00 147 H 9.03 4.13 0.00 3.28 3.58 0.00 5.33 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 0.00 148 N 8.07 4.11 0.00 2.65 2.84 0.00 0.00 6.85 7.68 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 0.00 149 V 7.81 3.69 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 0.93 0.00 0.00 0.95 0.00 0.00 150 V 7.56 3.59 1.86 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 0.55 0.00 0.00 0.70 0.00 0.00 151 L 7.59 4.49 0.00 1.77 1.61 0.83 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 152 A 7.74 4.48 1.20 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 0.00 0.00 153 N 7.33 4.28 0.00 2.80 2.70 0.00 0.00 5.86 7.56 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 * Residues marked with a * may have inaccurate shift predictions.