NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 28 K 4.4205 8.3149 124.0591 54.7252 33.7687 175.0443 29 V 3.8817 8.3595 113.9866 61.2284 32.4064 170.4983 30 V 4.4049 9.2092 125.5591 61.0506 34.2262 173.5910 31 K 5.1574 8.7858 129.5221 54.9161 34.1563 174.8458 32 F 5.1743 8.4829 121.1687 56.2710 41.9348 172.5518 33 S 4.7822 8.5832 112.2402 57.3486 66.2004 172.7389 34 Y 4.5864 8.2171 120.7887 56.1776 42.1959 173.0070 35 M 4.9963 7.9477 126.0528 53.6358 34.1965 174.3613 36 W 4.9019 9.3995 135.0000 56.0849 33.2031 174.2932 37 T 4.8487 8.8281 124.4035 62.1292 69.6774 174.1542 38 I 4.1396 8.5386 128.9366 60.1825 38.4096 175.4079 39 N 4.9674 8.8518 124.5110 52.0140 40.5135 174.1555 40 N 4.1544 8.6837 114.6834 54.1606 36.3167 174.8974 41 F 3.9518 8.4728 119.8372 58.1829 40.1870 174.0626 42 S 4.4807 6.7888 120.5323 56.9397 65.2651 173.1340 43 F 4.4173 8.6688 123.7598 57.4911 38.9959 175.0686 44 C 4.4760 8.1035 123.5064 57.9099 31.6225 174.5244 45 R 3.9504 8.6542 127.3379 59.4340 29.8424 178.5570 46 E 4.1857 8.1416 114.9190 57.7885 29.7825 176.9794 47 E 4.4859 7.9012 117.0363 57.1343 31.7943 176.6015 48 M 3.9698 8.3405 117.6896 55.4628 32.8233 177.2720 49 G 4.0507 8.0767 103.3503 45.3258 0.0000 173.0927 50 E 4.1100 8.6512 120.5557 58.0857 30.1031 176.8027 51 V 4.9963 7.5885 117.0050 60.9002 34.7011 174.7583 52 I 4.8862 9.2055 120.6691 59.1220 40.8318 174.4158 53 K 5.1694 8.7046 122.4136 54.6385 35.5870 176.1792 54 S 3.7695 7.7580 118.7657 57.0206 64.2860 173.7822 55 S 4.4045 8.2267 116.3605 58.6911 63.3089 174.5177 56 T 4.5015 8.1827 111.8321 61.7193 69.9762 173.3727 57 F 5.1422 8.5725 117.4998 56.2360 42.1918 172.7257 58 S 4.6959 8.3716 112.7222 57.5743 65.0317 174.2240 59 S 3.6243 8.1099 113.7982 60.2420 63.0836 173.8822 60 G 3.8940 7.1675 107.5039 44.8309 0.0000 174.0721 61 A 4.0161 8.7464 121.9691 54.9059 18.3454 178.6245 62 N 4.4563 7.9860 111.2986 54.5171 39.1613 174.5492 63 D 4.4928 7.9274 121.1910 53.8224 41.0929 176.7354 64 K 4.1646 8.4437 128.0413 55.6020 32.3846 173.2002 65 L 4.0608 8.0248 118.0422 55.5000 41.9354 176.6894 66 K 4.6504 8.8267 124.4474 54.3078 34.6629 175.6785 67 W 5.0523 8.6774 123.9105 54.9766 33.1895 173.9754 68 C 5.0257 8.9039 115.7639 57.0759 33.3057 172.6179 69 L 5.1680 8.7135 119.3045 53.4748 43.8445 175.9337 70 R 5.1394 9.0747 121.5943 54.6899 33.6605 173.9744 71 V 4.9852 9.4825 125.9519 61.3123 35.0159 173.9858 72 N 5.3970 9.0339 125.2964 50.4306 39.0085 173.8657 73 P 4.5049 0.0000 0.0000 64.4960 31.7419 177.3255 74 K 4.8836 7.9843 116.5134 53.8399 34.6391 176.0240 75 G 4.1425 8.7534 112.2780 45.3176 0.0000 173.2228 76 L 4.4143 8.6199 121.8955 54.8071 42.1003 175.8001 77 D 5.0230 7.5930 117.2694 50.7738 42.7967 175.1214 78 E 4.0765 8.9455 120.0327 59.4826 29.6307 178.6111 79 E 3.9729 8.3857 117.9225 58.6781 30.0682 177.2390 80 S 4.8435 8.4149 111.5437 57.6659 63.2890 175.8963 81 K 4.2729 7.9235 122.1667 60.0839 32.4233 177.3159 82 D 4.7238 8.3284 117.8474 54.1349 41.1453 174.7534 83 Y 5.1299 8.2369 117.6557 56.0238 41.8100 174.1500 84 L 5.1062 9.0069 123.6560 54.3268 43.7883 175.3192 85 S 5.2580 8.9559 122.1937 56.9299 65.5378 172.8949 86 L 4.9314 8.3352 125.1974 53.4943 45.1187 174.7526 87 Y 5.0731 8.8995 122.5443 56.1563 42.9588 173.7009 88 L 5.0920 9.1547 124.5945 53.6968 44.1949 174.8297 89 L 5.4172 9.1540 128.4621 53.1487 45.2180 174.7171 90 L 3.7104 8.7869 128.8586 54.6815 42.4370 176.9744 91 V 3.8181 8.2912 127.5603 64.6732 32.4054 176.6446 92 S 4.2978 7.4739 113.0454 57.1722 64.2867 172.8274 93 C 4.3039 8.1448 121.6461 57.1871 31.2871 171.4521 94 P 4.3703 0.0000 0.0000 62.8453 31.6493 177.6594 95 K 3.9355 8.4175 121.9335 57.1260 31.9926 176.1567 *97 E 4.2802 7.8582 116.8220 56.5719 30.6765 175.1423 98 V 4.6805 8.3290 124.8112 61.3141 35.1581 174.1771 99 R 5.5783 8.7749 124.9304 54.8193 34.6510 173.9415 100 A 5.1469 9.3300 122.6468 50.9155 23.2036 175.8123 101 K 4.6721 8.9090 121.3412 55.5502 34.4791 175.7848 102 F 5.1946 7.7456 116.0060 55.5832 41.8138 173.1002 103 K 4.8388 8.8219 120.9573 54.9132 35.6893 174.8306 104 F 5.8513 9.3690 126.1706 56.0997 42.1710 174.6185 105 S 5.2870 9.4548 115.6543 57.4412 67.1903 172.4400 106 I 5.0265 8.8134 121.3215 59.6912 39.4654 174.8549 107 L 4.9905 8.6543 127.5455 53.7305 42.7908 176.9443 108 N 4.7753 8.7946 121.6350 51.3715 39.0979 175.6796 109 A 3.9671 8.2050 120.6512 55.0248 18.3106 178.9211 110 K 4.0811 8.0637 113.1980 57.3006 32.5558 177.8267 111 G 3.9090 8.5263 107.7086 45.0574 0.0000 173.4448 112 E 4.3305 8.7678 119.8118 54.9622 30.6403 175.6356 113 E 4.6361 8.5383 121.6748 56.4396 30.1600 176.6328 114 T 4.6774 8.5956 113.6944 60.3251 72.0446 173.4098 115 K 3.7101 8.6499 118.2684 57.3206 29.6667 175.6860 116 A 4.6726 7.8639 118.4109 52.5379 19.7020 178.0031 117 M 4.7532 9.5709 120.6591 53.9237 35.7637 173.7206 118 E 5.3134 8.5588 123.2166 54.1249 33.0398 175.6953 119 S 4.3546 8.3537 116.8688 58.5548 63.4940 174.7119 120 Q 4.1178 8.6162 121.3184 57.8195 28.9354 175.3810 121 R 4.4960 7.0664 112.2780 54.6322 32.5007 174.2705 122 A 4.3521 8.1315 121.1212 51.9785 19.3609 176.5263 123 Y 4.3283 8.8133 118.4747 55.6478 41.5778 175.0880 124 R 4.7748 8.5525 122.4075 56.4613 30.8685 175.4504 125 F 5.1211 9.4683 125.5275 55.9130 41.6178 175.2850 126 V 4.4901 8.2638 114.8476 58.6432 35.1193 174.5910 127 Q 3.9198 8.4434 121.7565 58.1505 28.8077 176.8674 128 G 3.8756 9.0303 114.0732 44.9851 0.0000 172.9228 129 K 4.3046 8.1030 122.6120 55.5898 33.4080 175.3118 130 D 5.7846 8.2718 125.7236 51.6689 42.5577 175.1376 131 W 5.0511 9.0339 118.2796 54.9384 33.6206 175.3388 132 G 3.8732 7.9787 109.5850 46.2981 0.0000 173.0374 133 F 4.8133 7.7540 122.3545 55.3593 41.6737 175.8595 134 K 4.1369 8.9942 126.0464 58.8751 33.2884 177.7532 135 K 4.3670 7.6273 118.3080 55.0796 31.6680 175.6284 136 F 4.5121 8.5330 124.3078 60.6684 40.2863 175.1590 137 I 4.4182 7.6137 119.2777 58.6702 41.1424 174.1289 138 R 3.6040 8.3289 126.4154 55.7937 30.7643 177.4807 139 R 3.8474 8.8291 123.3666 59.8274 29.6616 178.5604 140 D 4.3531 7.7990 117.5258 56.6188 40.6424 178.2586 141 F 3.9746 7.7658 120.9424 61.0933 39.4166 176.8155 142 L 4.2223 7.9269 117.5309 57.4186 41.7210 178.4747 143 L 4.5099 7.7231 116.6008 54.8513 42.0982 177.0314 144 D 4.4763 7.4568 119.5026 53.0765 41.5114 176.3573 145 E 3.9489 8.6591 127.7455 58.9326 29.8952 179.4283 146 A 3.9887 8.0578 120.8337 54.9967 18.4530 178.1684 147 N 4.3126 7.9449 112.1714 53.7398 39.1931 175.2469 148 G 3.9336 7.6812 106.9570 46.7822 0.0000 174.7510 149 L 4.5608 7.9022 117.2660 54.4581 43.7915 177.0241 150 L 5.0308 7.6001 118.3580 52.0226 42.6803 174.8298 151 P 4.4481 0.0000 0.0000 63.9907 32.0377 175.9897 152 D 4.4742 9.3091 120.5349 55.1618 39.7846 172.4709 153 D 4.4612 7.8155 112.8628 54.8230 39.3531 173.0012 154 K 5.0272 7.9593 117.9930 54.6131 34.7465 175.1715 155 L 4.2854 8.4442 127.5757 53.6051 44.0988 174.9622 156 T 4.9686 8.3826 122.8543 61.9838 70.9069 173.1125 157 L 5.2782 9.0502 127.1722 52.8673 45.1665 175.4796 158 F 5.4909 9.5107 124.3607 56.6728 42.6438 172.9268 159 C 5.2903 8.6662 126.3056 57.5464 34.5129 172.0586 160 E 4.6920 8.9102 125.4551 54.3367 32.1526 174.9864 161 V 4.3542 8.2760 124.3829 60.8939 34.7133 174.4182 162 S 4.9466 9.0288 124.0108 56.8910 65.1731 172.9554 163 V 4.6792 8.7901 126.7819 60.8995 32.8490 176.5115 164 V 4.7244 8.2849 132.7505 61.6570 31.8058 176.9084 165 Q 4.1983 7.9719 124.8095 56.6760 28.9113 176.5224 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 28 K 8.31 4.42 0.00 1.56 1.67 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.05 7.81 29 V 8.36 3.88 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 0.77 0.00 0.00 0.94 0.00 0.00 30 V 9.21 4.40 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 1.13 0.00 0.00 0.98 0.00 0.00 31 K 8.79 5.16 0.00 1.79 1.69 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.27 1.45 7.81 32 F 8.48 5.17 0.00 3.16 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 33 S 8.58 4.78 0.00 3.11 3.59 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.22 4.59 0.00 1.43 1.66 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 35 M 7.95 5.00 0.00 1.94 2.06 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.50 0.00 36 W 9.40 4.90 0.00 3.57 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 37 T 8.83 4.85 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 1.19 0.00 0.00 38 I 8.54 4.14 1.62 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 -0.36 0.95 0.00 0.00 39 N 8.85 4.97 0.00 2.64 2.75 0.00 0.00 7.25 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 40 N 8.68 4.15 0.00 2.84 2.86 0.00 0.00 6.90 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 41 F 8.47 3.95 0.00 2.86 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 42 S 6.79 4.48 0.00 3.69 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 F 8.67 4.42 0.00 3.14 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 C 8.10 4.48 0.00 2.95 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 45 R 8.65 3.95 0.00 1.93 1.98 0.00 3.21 0.00 0.00 3.39 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.70 0.00 46 E 8.14 4.19 0.00 1.93 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 2.31 2.39 0.00 47 E 7.90 4.49 0.00 1.98 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 2.18 2.23 0.00 48 M 8.34 3.97 0.00 1.74 1.97 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.02 0.00 49 G 8.08 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.65 4.11 0.00 2.03 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 2.40 2.32 0.00 51 V 7.59 5.00 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 0.94 0.00 0.00 1.02 0.00 0.00 52 I 9.21 4.89 2.14 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 1.50 1.39 0.98 0.00 0.00 53 K 8.70 5.17 0.00 1.60 1.61 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.32 1.43 7.81 54 S 7.76 3.77 0.00 2.77 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 55 S 8.23 4.40 0.00 3.80 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 56 T 8.18 4.50 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 1.08 0.00 0.00 57 F 8.57 5.14 0.00 3.09 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 58 S 8.37 4.70 0.00 3.77 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 59 S 8.11 3.62 0.00 3.83 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 60 G 7.17 3.89 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 0.00 0.00 0.00 61 A 8.75 4.02 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 62 N 7.99 4.46 0.00 2.71 2.87 0.00 0.00 6.84 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 63 D 7.93 4.49 0.00 2.55 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 64 K 8.44 4.16 0.00 1.81 1.70 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.33 1.02 7.81 65 L 8.02 4.06 0.00 1.74 1.58 1.04 0.44 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 66 K 8.83 4.65 0.00 1.38 1.50 0.00 1.52 0.00 0.00 1.56 0.00 0.00 2.75 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.41 7.81 67 W 8.68 5.05 0.00 1.78 2.51 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 0.00 0.00 0.00 0.00 68 C 8.90 5.03 0.00 2.84 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 69 L 8.71 5.17 0.00 1.27 1.75 1.25 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 70 R 9.07 5.14 0.00 1.86 1.82 0.00 2.96 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 71 V 9.48 4.99 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 1.03 0.00 0.00 72 N 9.03 5.40 0.00 2.85 3.00 0.00 0.00 6.87 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 73 P 0.00 4.50 0.00 2.00 1.84 0.00 3.80 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.09 0.00 74 K 7.98 4.88 0.00 1.80 1.80 0.00 1.94 0.00 0.00 1.79 0.00 0.00 3.07 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.56 1.55 7.81 75 G 8.75 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.62 4.41 0.00 1.70 1.74 0.98 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 77 D 7.59 5.02 0.00 2.75 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 78 E 8.95 4.08 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 79 E 8.39 3.97 0.00 1.99 2.13 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 2.29 2.33 0.00 80 S 8.41 4.84 0.00 4.30 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 81 K 7.92 4.27 0.00 1.90 2.07 0.00 1.63 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.68 1.48 7.81 82 D 8.33 4.72 0.00 2.66 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 83 Y 8.24 5.13 0.00 3.09 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 84 L 9.01 5.11 0.00 2.05 1.79 1.13 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 85 S 8.96 5.26 0.00 4.07 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 86 L 8.34 4.93 0.00 1.35 0.74 0.70 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 87 Y 8.90 5.07 0.00 2.87 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 88 L 9.15 5.09 0.00 1.89 1.61 1.04 -0.07 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 89 L 9.15 5.42 0.00 1.79 1.65 0.95 0.23 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 90 L 8.79 3.71 0.00 1.26 1.59 -0.62 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 91 V 8.29 3.82 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 0.70 0.00 0.00 0.82 0.00 0.00 92 S 7.47 4.30 0.00 3.87 3.67 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 0.00 0.00 0.00 0.00 93 C 8.14 4.30 0.00 2.88 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 94 P 0.00 4.37 0.00 2.20 1.95 0.00 3.76 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.91 0.00 95 K 8.42 3.94 0.00 1.80 1.78 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.36 1.00 7.81 *97 E 7.86 4.28 0.00 2.03 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 2.25 2.36 0.00 98 V 8.33 4.68 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 1.33 0.00 0.00 0.97 0.00 0.00 99 R 8.77 5.58 0.00 1.84 1.82 0.00 3.17 0.00 0.00 3.35 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 100 A 9.33 5.15 1.17 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 0.00 0.00 101 K 8.91 4.67 0.00 1.59 1.51 0.00 1.56 0.00 0.00 1.59 0.00 0.00 2.59 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.38 1.29 7.81 102 F 7.75 5.19 0.00 2.59 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 0.00 103 K 8.82 4.84 0.00 1.70 1.52 0.00 1.57 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.42 7.81 104 F 9.37 5.85 0.00 2.92 2.51 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 0.00 0.00 0.00 0.00 105 S 9.45 5.29 0.00 4.13 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.81 5.03 1.95 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 1.08 0.98 0.00 0.00 107 L 8.65 4.99 0.00 1.49 1.54 0.71 0.96 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 0.00 108 N 8.79 4.78 0.00 2.95 2.99 0.00 0.00 6.49 7.29 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 0.00 109 A 8.21 3.97 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 0.00 110 K 8.06 4.08 0.00 1.93 1.85 0.00 1.60 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.47 7.81 111 G 8.53 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 0.00 0.00 0.00 112 E 8.77 4.33 0.00 1.99 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 2.27 2.25 0.00 113 E 8.54 4.64 0.00 1.98 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 2.43 2.26 0.00 114 T 8.60 4.68 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 1.28 0.00 0.00 115 K 8.65 3.71 0.00 1.70 1.50 0.00 1.43 0.00 0.00 0.94 0.00 0.00 2.13 0.00 0.00 2.51 0.00 0.00 0.00 0.00 1.24 1.00 7.81 116 A 7.86 4.67 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 0.00 117 M 9.57 4.75 0.00 2.08 1.84 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.81 0.00 118 E 8.56 5.31 0.00 2.00 1.81 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 2.11 2.20 0.00 119 S 8.35 4.35 0.00 3.81 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 0.00 120 Q 8.62 4.12 0.00 2.05 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.77 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 121 R 7.07 4.50 0.00 1.43 1.63 0.00 2.61 0.00 0.00 2.84 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.50 0.00 122 A 8.13 4.35 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 0.00 123 Y 8.81 4.33 0.00 2.16 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 0.00 124 R 8.55 4.77 0.00 1.89 1.99 0.00 3.32 0.00 0.00 3.54 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.87 0.00 125 F 9.47 5.12 0.00 3.13 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 0.00 126 V 8.26 4.49 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 0.80 0.00 0.00 0.94 0.00 0.00 127 Q 8.44 3.92 0.00 1.93 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.67 0.00 0.00 0.00 0.00 0.00 2.27 2.47 0.00 128 G 9.03 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 0.00 129 K 8.10 4.30 0.00 1.85 1.92 0.00 1.03 0.00 0.00 1.46 0.00 0.00 2.72 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.27 0.97 7.81 130 D 8.27 5.78 0.00 2.82 2.57 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 0.00 131 W 9.03 5.05 0.00 3.18 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 0.00 132 G 7.98 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 0.00 0.00 0.00 133 F 7.75 4.81 0.00 3.26 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 0.00 134 K 8.99 4.14 0.00 1.99 2.15 0.00 1.54 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.48 7.81 135 K 7.63 4.37 0.00 1.37 0.74 0.00 0.77 0.00 0.00 1.37 0.00 0.00 2.71 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.96 1.17 7.81 136 F 8.53 4.51 0.00 3.16 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 I 7.61 4.42 1.28 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.37 1.05 0.00 0.00 138 R 8.33 3.60 0.00 1.78 1.62 0.00 3.10 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 1.38 0.00 139 R 8.83 3.85 0.00 1.61 1.78 0.00 2.21 0.00 0.00 2.45 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.50 0.00 140 D 7.80 4.35 0.00 2.63 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 0.00 141 F 7.77 3.97 0.00 2.97 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 L 7.93 4.22 0.00 2.03 1.84 1.09 1.00 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 0.00 143 L 7.72 4.51 0.00 1.57 1.69 0.69 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 144 D 7.46 4.48 0.00 2.73 2.40 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 0.00 145 E 8.66 3.95 0.00 2.03 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 2.37 2.27 0.00 146 A 8.06 3.99 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 0.00 147 N 7.94 4.31 0.00 2.53 2.68 0.00 0.00 6.98 7.75 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 0.00 148 G 7.68 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 0.00 0.00 0.00 149 L 7.90 4.56 0.00 1.63 1.71 1.16 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 150 L 7.60 5.03 0.00 1.64 1.57 1.05 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 151 P 0.00 4.45 0.00 2.19 2.16 0.00 4.03 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.92 0.00 152 D 9.31 4.47 0.00 2.78 2.74 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 0.00 153 D 7.82 4.46 0.00 2.94 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 0.00 154 K 7.96 5.03 0.00 1.77 1.66 0.00 1.63 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.53 7.81 155 L 8.44 4.29 0.00 1.09 1.05 0.72 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 156 T 8.38 4.97 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 1.20 0.00 0.00 157 L 9.05 5.28 0.00 1.70 1.65 0.81 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 158 F 9.51 5.49 0.00 2.99 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 0.00 159 C 8.67 5.29 0.00 3.25 2.67 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 0.00 0.00 0.00 0.00 160 E 8.91 4.69 0.00 1.73 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.69 0.00 161 V 8.28 4.35 0.67 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 0.06 0.00 0.00 0.46 0.00 0.00 162 S 9.03 4.95 0.00 3.62 3.70 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 0.00 163 V 8.79 4.68 2.30 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 1.42 0.00 0.00 1.07 0.00 0.00 164 V 8.28 4.72 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 0.78 0.00 0.00 0.94 0.00 0.00 165 Q 7.97 4.20 0.00 2.04 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.68 0.00 0.00 0.00 0.00 0.00 2.18 1.92 0.00 * Residues marked with a * may have inaccurate shift predictions.