NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *-12 H 4.7108 8.4293 117.8432 56.1118 29.9697 171.9630 -11 H 4.8086 8.0565 116.7743 54.0121 31.6710 170.6100 -10 H 4.9214 9.1841 116.8902 54.2817 33.3845 173.8979 -9 H 5.2387 8.6857 117.7494 53.5046 30.8504 173.4437 -8 H 5.2291 8.5458 120.7060 54.2254 31.5508 172.6578 -7 H 5.0978 8.7725 121.3918 54.6835 31.6762 174.7645 -6 E 4.1893 8.9867 120.9218 58.8589 30.7270 177.1598 -5 N 5.2534 7.8204 115.5838 51.6873 37.6953 177.4698 -4 L 4.7541 7.7198 120.6076 54.1303 44.0366 177.7374 -3 Y 4.3852 9.1650 121.5107 55.7506 40.0214 175.1189 -2 F 4.3006 9.0156 127.0248 58.9632 39.7549 174.4876 -1 Q 4.0885 7.5584 126.1796 54.5654 32.5421 175.2954 0 G 3.7512 8.3948 116.0464 45.8049 0.0000 171.8373 -10 K 4.5114 9.0541 119.0901 55.4818 37.4845 176.3979 -9 T 4.8587 8.4157 113.1494 60.3046 71.6504 174.0437 -8 I 4.6691 8.1258 122.4060 60.3254 41.3508 174.9578 -7 V 4.4878 8.3825 122.3918 61.8835 35.5762 176.9645 -6 I 4.0093 8.5667 120.6218 63.3589 39.6270 176.9598 -5 E 4.8634 7.8404 117.0838 55.1873 28.6953 178.8699 -4 D 5.0541 7.8998 119.2076 53.2303 42.7366 176.4374 -3 K 4.1552 9.3350 121.6107 54.0506 35.3214 175.8189 -2 Q 4.0206 9.0356 126.5248 56.9632 29.5548 174.6876 -1 R 4.0885 7.4684 126.8796 54.8654 34.0421 175.5954 0 I 3.9612 8.0648 127.1464 61.8049 38.3829 173.3373 13 E 3.6368 8.0270 118.8689 59.2431 29.2476 179.2003 14 S 4.0874 7.8509 112.8256 61.2437 62.2481 176.1579 15 I 3.6583 7.4807 121.1004 64.4183 37.2283 177.7864 16 I 3.0421 7.3395 120.0180 64.3420 36.5930 178.4028 17 L 4.1806 7.9577 118.6419 57.6787 41.4940 179.2007 18 Q 4.1108 8.0485 116.9131 57.1475 29.0942 176.5424 19 A 4.4263 7.3726 124.8931 52.5789 19.3276 177.7440 20 D 4.6623 8.9294 119.6511 54.9368 40.5920 175.8433 21 A 5.3633 8.0037 118.2742 50.3384 22.8953 174.7905 22 C 4.6613 8.3398 112.2285 56.3652 33.8841 173.0849 23 F 4.6549 8.5688 118.6356 55.7942 41.1119 174.8500 24 V 4.4010 8.9412 125.9723 61.4379 32.9830 174.8826 25 G 4.3393 9.1443 116.8360 45.4464 0.0000 172.3292 26 I 5.1021 9.0524 125.3896 59.6466 41.6108 174.7624 27 T 4.7183 8.5791 122.9550 63.3361 69.4513 174.8552 28 D 4.6622 9.3049 126.7653 52.2250 41.3260 176.7607 29 L 4.1240 8.2772 117.5625 56.9546 41.7037 177.7166 30 E 4.3342 8.4065 116.4531 55.9061 29.8151 176.6524 31 G 3.9231 8.3140 107.4777 45.2564 0.0000 173.1195 32 N 5.0536 8.5114 117.3109 50.5951 41.4032 172.8422 33 P 4.7711 0.0000 0.0000 62.9752 32.6552 175.5053 34 Y 4.8298 9.0598 123.5572 56.0642 42.0160 173.8519 35 V 4.9502 8.3130 126.7154 60.9351 34.0705 174.7976 36 V 4.3767 8.7773 127.7693 59.0950 34.0782 173.9292 37 P 5.0772 0.0000 0.0000 61.5024 32.6683 174.8171 *39 N 4.7194 8.4243 117.0036 53.6084 39.4647 173.2770 40 F 5.0670 8.1330 112.8959 56.4997 41.2218 173.2952 41 G 4.3344 9.1870 105.9157 44.6944 0.0000 171.1571 42 Y 5.6316 8.4785 121.1287 55.7368 42.1212 173.8864 43 E 4.2491 8.8813 123.5306 55.9977 33.3612 174.3602 44 N 4.1721 9.1272 116.8128 55.2256 36.0306 173.5991 45 D 4.6401 7.3359 109.5887 54.3616 39.4733 173.7643 46 T 4.9642 7.1082 114.1447 61.9044 72.7902 173.0803 47 L 5.2734 8.7133 125.9241 53.4184 44.6461 175.0868 48 Y 5.3047 8.9748 119.3634 56.4398 41.8948 174.7075 49 L 5.1252 9.0284 122.4152 53.6394 46.7935 174.5993 50 H 5.4127 8.1906 113.7238 55.1606 31.4878 172.4968 51 S 4.5079 9.0721 114.0066 57.3392 66.8519 173.7914 52 G 4.0652 8.5980 109.6998 44.8000 0.0000 171.8758 53 P 4.3422 0.0000 0.0000 63.8337 31.7774 175.3088 54 E 4.7491 7.7986 117.1410 55.2151 34.0531 173.9838 55 G 3.8989 8.5579 104.7082 47.4954 0.0000 174.8805 56 G 3.7856 7.9607 109.2058 48.6285 0.0000 175.4769 57 K 4.1467 7.9750 120.4093 58.7145 33.4900 178.7239 58 I 3.9491 7.4755 121.4430 64.6036 37.0289 178.6050 59 E 3.6764 8.5568 118.2267 57.3516 28.0113 179.0194 *61 L 4.8501 7.8408 120.4754 55.0333 43.5994 179.3072 62 Q 4.2647 8.0157 116.9849 58.4790 28.9298 177.5545 63 R 4.0153 7.6380 117.3888 58.2841 30.6670 176.0469 64 N 4.7146 7.7486 116.2137 52.4249 41.0868 173.3075 65 N 4.6778 8.6036 122.6035 52.7463 38.9445 174.1079 66 N 4.9818 8.6283 118.6298 53.7028 39.1147 175.0118 67 V 4.7530 8.8163 116.4636 59.5927 36.3439 174.2214 68 C 5.0273 8.7360 123.7500 57.9127 33.6707 172.5208 69 I 4.8181 8.9109 128.2640 59.9038 38.5410 175.4647 70 T 4.9085 8.4499 123.6405 61.7150 72.0848 173.3275 71 F 5.2335 9.2607 122.6424 56.1414 43.3928 173.7944 72 S 5.0884 8.7664 115.1990 57.3112 65.2418 173.2501 73 L 4.7148 8.1706 126.0029 52.7203 43.6466 176.5152 74 G 3.8771 8.6811 110.1196 46.1140 0.0000 172.6435 75 H 4.9639 8.3782 115.0057 54.9024 29.7057 174.7485 76 K 4.6304 9.1276 119.7476 55.1614 35.1291 174.9438 77 L 4.5008 8.2708 123.5624 53.3709 43.9254 175.4858 78 V 4.2466 8.3728 126.3301 61.2382 34.4356 173.4612 79 Y 5.0100 8.5577 125.5849 56.6476 39.4137 174.6670 80 Q 4.5399 8.6982 125.9912 54.8516 31.4035 173.9345 81 H 4.7831 8.7224 124.8085 54.9080 31.6351 173.3380 *86 C 4.5807 8.4603 121.3946 58.8092 30.4682 168.8668 87 S 5.0088 8.2143 109.6686 58.5703 65.5812 172.0799 88 Y 5.0258 9.5637 127.8759 56.1704 41.8133 174.4363 89 S 5.0573 7.8066 118.7095 56.4070 66.9006 171.9906 *91 R 4.7822 8.4263 117.4652 56.3728 31.5340 175.2483 92 S 5.0884 9.0257 116.9754 57.0104 67.3783 172.2319 93 E 5.3853 8.6435 116.5561 54.8626 33.2334 174.4800 94 S 4.9469 9.0816 114.1438 57.2923 67.2890 172.8105 95 A 5.5953 8.4850 122.1248 49.5015 22.7449 174.1165 *97 C 4.7732 8.4501 111.3593 60.0892 30.0477 173.4052 98 R 5.0227 8.7082 122.7018 54.6709 32.9606 175.6152 99 G 4.1320 7.9923 108.2100 46.7695 0.0000 171.6468 100 K 5.1396 8.1117 118.1760 54.3936 35.1733 176.0091 101 V 4.0204 8.4475 125.0907 62.3818 32.1197 174.8772 102 E 4.3658 9.0817 129.4238 54.6810 32.0869 174.4160 103 F 5.5480 8.1532 123.8390 55.9218 40.3559 175.6966 104 I 3.9438 8.9586 126.5661 61.6306 36.8806 176.0585 105 E 4.4168 8.8800 125.8229 57.8890 31.3890 177.2456 106 D 4.5514 7.6177 117.7495 53.8953 42.0444 175.4914 *108 E 4.3194 8.7265 113.8072 56.7876 31.7683 177.8769 109 E 4.0240 8.5476 118.3036 59.1952 29.2947 179.5002 110 K 3.9862 8.1879 118.6303 59.5060 32.1379 179.5876 111 R 3.4282 7.7910 117.8039 59.1729 30.1499 178.2644 112 H 4.0230 8.1551 117.7757 59.3339 29.8631 177.1159 113 A 3.3001 7.8223 122.2961 54.9848 17.9599 179.5530 114 L 3.8629 7.7525 116.6770 57.9435 41.6095 179.2460 115 D 4.5363 7.7087 118.2062 57.3646 40.8120 178.4471 116 I 3.8099 7.0355 118.9657 64.2184 37.3796 178.6237 117 I 3.8754 7.4348 117.3179 62.1526 36.3195 177.9183 *119 R 4.6180 7.9059 117.8834 56.3492 31.1221 176.9456 120 H 4.0340 7.8674 117.2104 58.1198 29.8679 175.1670 121 Y 4.4650 7.1046 114.7749 58.3608 40.1188 175.2011 122 T 4.5982 7.4667 111.8746 61.2146 70.1638 173.5081 123 K 4.4762 8.4395 123.0519 56.3850 32.7335 177.1675 124 D 4.4867 8.3106 122.3833 54.8421 41.2961 176.4780 125 Q 4.4210 8.4568 120.7622 54.3110 28.9241 175.7580 126 F 4.4294 8.8625 122.0603 54.7860 40.8899 175.5792 127 S 4.6934 8.0323 120.5595 57.1238 64.8918 173.4837 128 Y 4.6123 8.2063 119.0126 55.3558 40.6752 176.3699 129 S 4.4003 8.6386 120.3098 58.1510 65.0324 174.8637 130 D 4.3888 8.6074 122.2035 57.3734 40.7665 177.3731 131 P 4.3146 0.0000 0.0000 65.4739 31.0572 178.5626 132 A 4.0489 7.9842 118.9809 55.1225 18.1110 179.5355 133 V 3.6999 8.0386 116.8183 66.1971 31.3827 178.3158 134 R 4.0258 8.2112 117.2735 58.9715 29.9150 177.3586 135 N 4.8334 7.7070 114.1167 52.8811 39.9287 174.5843 136 V 4.7194 6.9596 109.3351 59.0495 35.9072 175.0123 137 K 4.5169 9.1774 124.0020 55.0737 34.1305 175.5474 138 V 4.9342 8.5940 124.5669 61.1240 34.0976 173.9668 139 W 5.4954 9.7312 128.8528 55.4832 31.1051 175.0964 140 K 4.8784 9.3292 126.4779 54.7656 34.4543 175.0811 141 V 4.6953 8.4279 126.6770 58.8715 32.6174 171.6161 142 P 4.4739 0.0000 0.0000 62.1607 32.6951 175.2280 143 V 4.2445 8.7670 125.4935 62.4618 31.3112 175.3653 144 D 4.6654 9.1582 129.2885 56.3872 41.9782 176.0005 145 Q 4.5552 7.6796 117.9438 54.7988 33.3720 173.5605 *147 T 4.3547 8.3638 110.2105 61.4415 69.7683 172.6936 148 G 4.4018 8.1653 107.7755 44.7466 0.0000 171.7832 149 K 5.3064 8.8554 121.3537 54.8963 36.1614 174.7269 150 V 4.8203 8.4764 126.8662 61.2881 33.4063 174.2460 151 F 4.9415 9.2697 130.4516 56.3267 41.7815 174.0868 152 G 4.0106 7.9110 113.1460 44.2595 0.0000 171.8885 153 L 4.3921 8.0500 128.9865 53.3088 43.6736 175.0057 154 R 5.0034 8.1091 125.9757 54.5923 32.9625 174.3877 155 A 4.8592 9.1557 125.7378 50.5361 22.9052 174.7331 156 D 5.3790 8.6168 119.1092 52.2507 44.9387 175.9447 157 E 4.7684 8.5790 119.1139 56.8995 29.1935 176.8349 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 *-12 H 8.43 4.71 0.00 3.16 3.01 0.00 7.19 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -11 H 8.06 4.81 0.00 3.20 3.18 0.00 5.47 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -10 H 9.18 4.92 0.00 2.96 3.14 0.00 5.65 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -9 H 8.69 5.24 0.00 2.71 2.85 0.00 5.69 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -8 H 8.55 5.23 0.00 3.15 3.16 0.00 5.55 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -7 H 8.77 5.10 0.00 3.11 3.24 0.00 5.89 0.00 0.00 0.00 0.00 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -6 E 8.99 4.19 0.00 1.99 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 0.00 2.22 1.87 0.00 -5 N 7.82 5.25 0.00 2.35 2.69 0.00 0.00 6.89 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -4 L 7.72 4.75 0.00 1.42 1.50 0.72 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 -3 Y 9.17 4.39 0.00 3.03 2.95 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 -2 F 9.02 4.30 0.00 2.96 2.95 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 -1 Q 7.56 4.09 0.00 1.72 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.62 0.00 0.00 0.00 0.00 0.00 2.27 2.41 0.00 0 G 8.39 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 0.00 0.00 0.00 -10 K 9.05 4.51 0.00 1.51 1.73 0.00 0.61 0.00 0.00 1.70 0.00 0.00 2.13 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.37 7.81 -9 T 8.42 4.86 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 -8 I 8.13 4.67 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 1.41 1.69 0.91 0.00 0.00 -7 V 8.38 4.49 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 0.66 0.00 0.00 0.93 0.00 0.00 -6 I 8.57 4.01 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 1.27 0.62 0.91 0.00 0.00 -5 E 7.84 4.86 0.00 1.58 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 1.88 0.00 -4 D 7.90 5.05 0.00 2.52 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 -3 K 9.34 4.16 0.00 1.84 1.72 0.00 0.61 0.00 0.00 1.57 0.00 0.00 2.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.39 7.81 -2 Q 9.04 4.02 0.00 1.94 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.73 0.00 0.00 0.00 0.00 0.00 2.35 2.48 0.00 -1 R 7.47 4.09 0.00 1.46 1.43 0.00 2.21 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.68 0.00 0 I 8.06 3.96 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 1.47 0.73 0.91 0.00 0.00 13 E 8.03 3.64 0.00 2.18 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 2.21 2.39 0.00 14 S 7.85 4.09 0.00 3.93 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 15 I 7.48 3.66 1.92 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 1.62 0.75 0.91 0.00 0.00 16 I 7.34 3.04 1.36 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.09 0.71 0.07 0.00 0.00 17 L 7.96 4.18 0.00 1.71 1.76 0.98 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 18 Q 8.05 4.11 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.89 0.00 0.00 0.00 0.00 0.00 2.39 2.57 0.00 19 A 7.37 4.43 1.70 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 0.00 0.00 20 D 8.93 4.66 0.00 2.71 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 21 A 8.00 5.36 1.08 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 22 C 8.34 4.66 0.00 1.60 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 0.00 0.00 0.00 23 F 8.57 4.65 0.00 2.90 2.95 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 24 V 8.94 4.40 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 0.95 0.00 0.00 0.83 0.00 0.00 25 G 9.14 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 0.00 0.00 0.00 0.00 26 I 9.05 5.10 2.13 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 1.38 1.08 0.98 0.00 0.00 27 T 8.58 4.72 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 1.22 0.00 0.00 28 D 9.30 4.66 0.00 2.74 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 29 L 8.28 4.12 0.00 1.62 1.74 0.89 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.41 4.33 0.00 2.06 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 2.22 2.26 0.00 31 G 8.31 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 32 N 8.51 5.05 0.00 2.83 2.75 0.00 0.00 7.01 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 P 0.00 4.77 0.00 1.97 2.01 0.00 3.65 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 34 Y 9.06 4.83 0.00 2.97 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 35 V 8.31 4.95 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 0.96 0.00 0.00 0.93 0.00 0.00 36 V 8.78 4.38 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 0.80 0.00 0.00 0.86 0.00 0.00 37 P 0.00 5.08 0.00 1.74 1.41 0.00 3.29 0.00 0.00 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.78 0.00 *39 N 8.42 4.72 0.00 2.65 2.69 0.00 0.00 6.72 7.45 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 40 F 8.13 5.07 0.00 3.16 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 41 G 9.19 4.33 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 0.00 42 Y 8.48 5.63 0.00 3.19 2.87 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 43 E 8.88 4.25 0.00 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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 1.20 0.77 0.39 0.00 0.00 70 T 8.45 4.91 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 1.24 0.00 0.00 71 F 9.26 5.23 0.00 2.84 2.86 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 72 S 8.77 5.09 0.00 3.83 3.66 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 73 L 8.17 4.71 0.00 1.54 1.60 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 74 G 8.68 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 75 H 8.38 4.96 0.00 3.27 3.34 0.00 5.49 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 K 9.13 4.63 0.00 1.67 1.78 0.00 1.57 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.29 7.81 77 L 8.27 4.50 0.00 1.52 1.44 0.17 0.87 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 127 S 8.03 4.69 0.00 3.73 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 0.00 128 Y 8.21 4.61 0.00 2.91 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 0.00 129 S 8.64 4.40 0.00 4.07 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 0.00 130 D 8.61 4.39 0.00 2.73 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 0.00 131 P 0.00 4.31 0.00 2.17 2.12 0.00 3.57 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.17 0.00 132 A 7.98 4.05 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 V 8.04 3.70 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 1.00 0.00 0.00 1.00 0.00 0.00 134 R 8.21 4.03 0.00 2.05 2.00 0.00 3.22 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 135 N 7.71 4.83 0.00 2.80 2.80 0.00 0.00 7.02 7.36 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 0.00 136 V 6.96 4.72 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 0.81 0.00 0.00 1.07 0.00 0.00 137 K 9.18 4.52 0.00 1.83 1.66 0.00 1.25 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.99 1.15 7.81 138 V 8.59 4.93 2.23 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 1.27 0.00 0.00 0.99 0.00 0.00 139 W 9.73 5.50 0.00 3.34 3.16 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 0.00 140 K 9.33 4.88 0.00 1.94 1.68 0.00 1.76 0.00 0.00 1.84 0.00 0.00 2.79 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.26 1.20 7.81 141 V 8.43 4.70 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 1.30 0.00 0.00 1.05 0.00 0.00 142 P 0.00 4.47 0.00 2.09 1.93 0.00 3.74 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.04 0.00 143 V 8.77 4.24 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 0.82 0.00 0.00 1.10 0.00 0.00 144 D 9.16 4.67 0.00 2.69 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 0.00 145 Q 7.68 4.56 0.00 2.08 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.58 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 *147 T 8.36 4.35 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 0.00 148 G 8.17 4.40 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 0.00 149 K 8.86 5.31 0.00 1.88 1.64 0.00 1.50 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.64 7.81 150 V 8.48 4.82 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 0.86 0.00 0.00 0.94 0.00 0.00 151 F 9.27 4.94 0.00 3.12 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 0.00 152 G 7.91 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 0.00 153 L 8.05 4.39 0.00 2.04 1.70 0.98 1.05 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 0.00 154 R 8.11 5.00 0.00 1.65 1.57 0.00 3.25 0.00 0.00 3.23 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.51 0.00 155 A 9.16 4.86 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 D 8.62 5.38 0.00 2.52 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 0.00 157 E 8.58 4.77 0.00 1.93 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 2.41 2.30 0.00 * Residues marked with a * may have inaccurate shift predictions.