NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4011 8.3049 118.1944 55.8768 32.6454 175.8057 2 K 3.6788 7.8613 116.5611 56.5320 32.2984 172.0155 3 V 3.8964 9.0146 126.0162 61.5653 31.3943 174.9386 4 L 4.1454 8.5617 126.9769 57.0512 41.6924 178.1225 5 E 4.5763 7.7300 115.5824 54.3239 32.8316 174.8309 6 E 3.8985 9.0476 125.3914 58.7515 29.8933 177.4533 7 R 4.2705 7.4366 123.4292 54.1477 30.5704 175.0939 8 N 4.2788 8.4584 121.6981 55.0229 39.4101 174.3471 9 A 4.1738 6.7273 118.6590 52.2294 21.3762 174.7323 10 F 4.8190 8.7455 117.6910 55.7324 41.2618 175.7283 11 L 4.7650 8.2908 123.0350 52.3305 44.0816 177.5758 12 S 4.3751 8.5932 118.9563 58.2306 64.8928 174.7513 13 D 4.3991 8.7474 123.3989 57.9198 40.5145 178.3637 14 Y 4.3104 8.1483 119.2164 60.9310 38.6463 177.5382 15 E 3.8279 8.2470 119.9107 59.4013 29.6698 179.0233 16 V 3.6173 7.8212 117.9302 65.8774 31.5299 177.6096 17 L 3.9267 8.4698 120.6782 58.8515 41.9918 177.9837 18 K 3.6682 8.9175 120.4095 58.7896 31.3166 178.3303 19 F 3.9718 8.6981 120.7139 61.2246 39.7705 177.9712 20 L 3.8150 8.0852 118.3990 57.2077 41.7977 179.2536 21 T 3.8701 8.0697 116.1583 66.6819 68.5887 176.3678 22 D 4.4296 7.9441 120.0716 55.4490 38.8614 177.9675 23 L 3.8059 7.1255 122.2654 57.7212 42.0011 178.3637 24 E 4.5366 8.3476 118.8441 59.4558 29.4180 179.1440 25 K 4.6420 7.9938 119.7216 59.0767 32.0094 179.1411 26 K 3.7790 7.5496 118.2970 59.0184 31.9313 177.3282 27 H 4.2748 6.7716 112.6591 54.0059 29.3744 173.9926 28 L 3.5750 8.0113 119.4365 56.0726 39.1922 175.2106 29 W 4.9240 8.1768 117.3308 56.7714 30.9747 177.0681 30 D 4.5015 8.4347 119.4320 55.3602 40.9170 177.9742 31 Q 3.8629 8.6422 123.1199 59.4133 28.8135 179.3593 32 K 4.0361 8.2812 119.8686 58.9639 32.0399 178.8618 33 S 4.1164 8.0095 113.5763 61.8291 62.7223 176.4663 34 L 4.0020 7.7695 121.1513 57.6666 41.5455 179.1457 35 A 4.1403 7.8534 118.7103 55.1701 18.4774 179.3111 36 A 4.0952 8.2523 117.7524 55.6192 18.9187 178.7763 37 L 4.6482 7.8294 119.0592 53.0187 44.2855 175.9371 *48 R 3.9571 8.0753 122.2261 58.6183 32.1608 174.2658 49 P 4.0089 0.0000 0.0000 62.8097 34.8414 174.6802 50 Y 4.7727 8.2988 122.1786 55.6944 41.3652 174.8006 51 N 4.9623 7.1260 120.1918 51.7146 39.1470 174.0508 52 H 4.9060 7.8547 123.5683 53.9558 31.0412 172.3102 53 P 4.8036 0.0000 0.0000 61.5017 29.1515 175.2339 54 E 4.6392 7.4369 123.0021 56.0961 35.2072 176.5393 55 L 4.2531 8.5274 120.5277 56.5888 42.1573 178.3172 56 Q 3.4568 7.7937 117.8153 58.2992 28.4620 177.7157 57 G 3.8354 7.9088 106.6546 47.7465 0.0000 175.1440 58 I 3.7618 7.1449 115.0592 63.7430 38.2854 177.6340 59 T 3.8330 7.4176 118.0234 66.4947 68.2350 175.9989 60 R 3.8407 8.2044 120.0140 59.6298 30.1481 178.5155 61 N 4.2951 7.5286 115.6644 56.3550 38.6109 177.4562 62 V 3.7007 9.1425 119.7669 66.2633 31.3989 178.1087 63 V 3.7239 8.0607 116.9092 66.1260 31.6613 177.5085 64 N 4.5237 8.4069 116.4550 56.4867 38.2541 176.8727 65 Y 4.3127 8.4043 120.1536 60.3534 38.9666 177.0996 66 L 4.1760 8.2339 117.9782 54.5877 43.3086 177.0979 67 S 4.8379 7.6791 112.3215 56.3306 63.8500 172.7268 68 I 4.4769 7.6352 121.2743 62.7718 39.1781 177.2352 *95 I 3.9826 8.6490 122.1459 61.6494 38.9830 174.8933 96 S 4.8604 8.4562 116.8684 56.6306 64.8382 174.0527 97 K 4.4446 8.5894 121.9173 56.8749 33.9816 176.6046 98 M 4.4396 7.8416 115.4246 54.3076 32.4549 176.5264 99 S 4.4954 8.3253 114.7635 57.9819 65.5594 174.8152 100 D 4.4009 8.6048 122.3993 57.4942 40.5365 178.8486 101 E 3.9244 8.1087 119.2002 59.4815 29.8214 178.4369 102 S 4.2095 8.4762 115.3224 62.4334 62.6908 176.4053 103 F 3.5230 8.6857 122.0989 61.2098 39.1855 177.0055 104 A 4.1536 8.3755 119.6570 55.7694 18.3154 179.0307 105 E 3.8784 8.1764 116.3972 59.8835 29.5248 179.0897 106 L 3.6640 7.6780 119.7182 58.6826 41.8287 178.7435 107 M 3.5985 8.3002 118.4073 58.6943 32.2350 178.2777 108 T 4.1290 7.7407 115.5751 66.1702 68.9300 176.9394 109 K 3.8988 8.3947 120.6959 59.6404 32.0955 179.1342 110 L 4.3088 8.3036 119.3752 58.1611 41.4030 179.2702 111 N 4.5781 7.8433 114.2292 55.7747 38.5261 176.7503 112 S 4.0392 8.0620 114.0417 59.0012 62.5694 173.3846 113 F 5.0555 7.4752 119.3698 55.8157 42.0292 175.9803 114 K 4.3891 8.5969 122.2856 55.8185 30.4549 175.7814 115 L 4.5969 7.5734 119.5983 53.7706 44.4702 176.7999 116 F 5.1500 8.3338 117.9011 56.1229 42.2851 176.2394 117 K 3.8255 8.7262 119.1836 60.5095 31.7226 178.4445 118 A 4.1159 8.0037 120.1663 54.9643 18.4551 179.4403 119 E 3.9048 8.1583 116.8876 59.5790 29.6096 179.3819 120 K 3.9560 8.1950 118.4430 59.4654 32.1331 179.1783 121 L 4.0195 7.7684 118.6971 58.0565 41.5089 179.8235 122 Q 3.9395 8.2355 117.6611 59.1191 28.8944 178.3849 123 I 3.6187 8.0852 121.2533 64.7498 36.9450 178.6017 124 V 3.5182 7.8105 117.7563 65.9720 31.4490 177.3338 125 N 4.5738 8.0528 116.1238 55.2177 40.1886 175.0128 126 Q 4.5244 7.9286 116.3753 54.7631 28.2069 175.0852 127 L 4.2839 7.8740 117.2740 54.5300 41.4793 175.8565 128 P 4.1226 0.0000 0.0000 62.3712 31.8661 176.1309 129 A 4.0805 8.5431 127.1534 54.4939 19.0831 178.1907 130 N 4.7575 7.6514 112.1540 51.8729 40.6900 175.4711 131 M 4.0866 8.3135 118.5650 58.0991 32.1519 178.2243 132 V 3.4421 7.6966 118.3833 66.3104 31.7041 177.2015 133 H 4.2022 9.0539 116.9693 59.0788 29.8488 176.7267 134 L 4.0488 7.7705 122.1684 58.5887 41.8434 178.5928 135 Y 3.9454 7.9547 115.0003 60.9801 37.8687 178.2792 136 S 4.3134 8.4882 112.9387 59.9145 62.4368 173.9202 137 I 4.1638 7.6645 119.5658 63.3428 38.8852 176.5558 138 V 3.7067 7.4368 123.3907 61.5068 30.2601 175.0126 139 E 3.9469 8.3478 126.9926 57.4442 29.6002 177.1452 140 E 3.7354 8.5759 121.3104 57.8094 26.7014 174.8109 141 C 4.0628 7.6252 119.3684 62.4602 29.1629 175.9368 142 D 4.3971 8.1393 117.3510 57.0354 40.3579 177.5261 143 A 4.5475 7.9079 118.0102 51.9554 19.8011 176.6999 144 R 4.3929 7.2331 111.3752 56.0575 31.6148 174.9334 145 F 4.6553 8.4188 114.3367 55.9581 42.8647 173.3669 146 D 5.0824 8.5094 118.8506 52.1188 45.6254 176.2734 147 E 3.9968 8.7887 120.6055 59.8967 29.4850 179.8284 148 K 3.9837 8.1013 117.4062 60.2144 32.3311 178.7808 149 T 4.1098 8.1108 115.0027 67.2621 68.6208 176.2706 150 I 3.5303 8.2776 121.5984 63.7910 37.0441 178.3040 151 E 3.9949 7.7775 120.7888 59.6986 29.5081 177.7014 152 E 3.9298 8.1594 118.2355 59.8662 29.4368 179.1703 153 M 3.5882 7.8927 117.4224 58.6347 32.0962 179.2059 154 L 3.9010 7.3983 117.3646 57.8011 41.6287 179.1633 155 E 3.9296 8.0229 117.1937 59.9992 29.7522 179.0420 156 I 3.7766 8.4086 119.9147 64.7695 37.2429 178.1752 157 I 3.8614 8.3624 120.5639 64.8482 36.9270 178.5531 158 S 4.1351 8.1341 113.5552 61.5385 62.5557 175.9987 159 A 3.9043 7.7165 123.5396 54.3537 18.2239 177.3625 160 Y 4.3998 7.4976 113.8702 57.8948 38.6469 175.7087 *161 A 4.1104 8.0365 127.6537 52.5278 18.9794 177.2866 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 4.40 0.00 2.14 2.22 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.57 0.00 2 K 7.86 3.68 0.00 1.85 1.81 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.45 1.48 7.81 3 V 9.01 3.90 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 0.78 0.00 0.00 0.92 0.00 0.00 4 L 8.56 4.15 0.00 1.65 1.72 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 5 E 7.73 4.58 0.00 1.84 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.24 0.00 6 E 9.05 3.90 0.00 1.89 1.93 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 2.25 2.30 0.00 7 R 7.44 4.27 0.00 1.60 1.39 0.00 3.20 0.00 0.00 2.97 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.45 0.00 8 N 8.46 4.28 0.00 2.59 2.75 0.00 0.00 7.06 7.96 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 9 A 6.73 4.17 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 10 F 8.75 4.82 0.00 3.00 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.29 4.76 0.00 1.60 1.57 0.77 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.59 4.38 0.00 4.13 4.07 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 13 D 8.75 4.40 0.00 2.75 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 0.00 14 Y 8.15 4.31 0.00 3.03 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.25 3.83 0.00 2.18 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 0.00 2.31 2.35 0.00 16 V 7.82 3.62 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 1.02 0.00 0.00 0.98 0.00 0.00 17 L 8.47 3.93 0.00 1.91 1.66 0.99 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.92 3.67 0.00 1.17 1.60 0.00 1.67 0.00 0.00 1.33 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.30 7.81 19 F 8.70 3.97 0.00 3.13 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.09 3.82 0.00 1.97 1.72 1.02 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 21 T 8.07 3.87 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 1.22 0.00 0.00 22 D 7.94 4.43 0.00 2.85 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 23 L 7.13 3.81 0.00 1.21 1.69 0.75 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 24 E 8.35 4.54 0.00 2.45 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 0.00 2.60 2.68 0.00 25 K 7.99 4.64 0.00 1.91 1.80 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.98 1.53 7.81 26 K 7.55 3.78 0.00 1.56 1.67 0.00 1.57 0.00 0.00 1.40 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.98 1.26 7.81 27 H 6.77 4.27 0.00 1.40 1.31 0.00 5.86 0.00 0.00 0.00 0.00 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.01 3.58 0.00 1.61 1.69 0.90 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 29 W 8.18 4.92 0.00 3.51 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 30 D 8.43 4.50 0.00 2.74 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 8.64 3.86 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.90 0.00 0.00 0.00 0.00 0.00 2.49 2.54 0.00 32 K 8.28 4.04 0.00 1.81 1.78 0.00 1.69 0.00 0.00 1.88 0.00 0.00 3.10 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.52 7.81 33 S 8.01 4.12 0.00 4.04 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 34 L 7.77 4.00 0.00 1.88 1.84 1.05 1.10 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 35 A 7.85 4.14 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 36 A 8.25 4.10 1.36 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 37 L 7.83 4.65 0.00 1.77 1.53 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 *48 R 8.08 3.96 0.00 1.82 1.92 0.00 3.19 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 49 P 0.00 4.01 0.00 2.31 2.09 0.00 3.76 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 50 Y 8.30 4.77 0.00 2.47 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 51 N 7.13 4.96 0.00 2.54 2.44 0.00 0.00 6.68 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 52 H 7.85 4.91 0.00 3.44 3.53 0.00 5.92 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 P 0.00 4.80 0.00 2.19 2.09 0.00 3.83 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 1.95 1.94 0.00 54 E 7.44 4.64 0.00 1.84 1.78 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 2.17 2.16 0.00 55 L 8.53 4.25 0.00 2.11 1.95 1.03 0.35 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 56 Q 7.79 3.46 0.00 1.79 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.55 0.00 0.00 0.00 0.00 0.00 1.16 1.78 0.00 57 G 7.91 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 I 7.14 3.76 1.88 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 1.54 0.87 0.91 0.00 0.00 59 T 7.42 3.83 4.07 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 1.26 0.00 0.00 60 R 8.20 3.84 0.00 1.74 1.87 0.00 3.16 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.69 0.00 61 N 7.53 4.30 0.00 2.80 2.83 0.00 0.00 6.69 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 62 V 9.14 3.70 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 1.09 0.00 0.00 1.03 0.00 0.00 63 V 8.06 3.72 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 0.92 0.00 0.00 0.96 0.00 0.00 64 N 8.41 4.52 0.00 3.03 2.89 0.00 0.00 6.61 7.92 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 65 Y 8.40 4.31 0.00 2.82 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 L 8.23 4.18 0.00 1.71 1.68 0.98 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 67 S 7.68 4.84 0.00 3.96 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 68 I 7.64 4.48 1.82 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 1.43 0.80 0.92 0.00 0.00 *95 I 8.65 3.98 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.48 0.92 0.00 0.00 96 S 8.46 4.86 0.00 3.97 3.83 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 97 K 8.59 4.44 0.00 1.77 1.90 0.00 1.76 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.41 7.81 98 M 7.84 4.44 0.00 2.20 2.14 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.62 0.00 99 S 8.33 4.50 0.00 4.11 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 D 8.60 4.40 0.00 2.72 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 0.00 101 E 8.11 3.92 0.00 2.07 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 2.43 2.44 0.00 102 S 8.48 4.21 0.00 4.20 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 F 8.69 3.52 0.00 3.17 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 0.00 104 A 8.38 4.15 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 0.00 105 E 8.18 3.88 0.00 2.30 2.16 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 2.40 2.41 0.00 106 L 7.68 3.66 0.00 0.27 1.19 0.84 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 107 M 8.30 3.60 0.00 1.55 0.83 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 2.56 2.69 0.00 108 T 7.74 4.13 4.45 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 1.20 0.00 0.00 109 K 8.39 3.90 0.00 1.95 2.00 0.00 1.85 0.00 0.00 1.77 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.51 1.69 7.81 110 L 8.30 4.31 0.00 1.67 1.81 0.83 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 111 N 7.84 4.58 0.00 2.92 2.89 0.00 0.00 7.02 7.77 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 0.00 112 S 8.06 4.04 0.00 3.52 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 0.00 113 F 7.48 5.06 0.00 3.14 3.27 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 0.00 114 K 8.60 4.39 0.00 1.63 1.81 0.00 1.56 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.43 7.81 115 L 7.57 4.60 0.00 1.76 1.68 0.89 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 116 F 8.33 5.15 0.00 3.00 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 K 8.73 3.83 0.00 1.83 1.80 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.56 7.81 118 A 8.00 4.12 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 0.00 119 E 8.16 3.90 0.00 2.32 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 2.34 2.41 0.00 120 K 8.19 3.96 0.00 1.84 1.86 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.51 1.70 7.81 121 L 7.77 4.02 0.00 1.80 1.77 0.96 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 122 Q 8.24 3.94 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.70 0.00 0.00 0.00 0.00 0.00 2.40 2.66 0.00 123 I 8.09 3.62 1.98 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.26 0.84 0.00 0.00 124 V 7.81 3.52 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 0.88 0.00 0.00 0.63 0.00 0.00 125 N 8.05 4.57 0.00 2.93 2.85 0.00 0.00 7.04 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 0.00 126 Q 7.93 4.52 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.52 0.00 0.00 0.00 0.00 0.00 2.42 2.24 0.00 127 L 7.87 4.28 0.00 1.67 1.73 1.05 1.20 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 0.00 128 P 0.00 4.12 0.00 2.10 1.85 0.00 3.76 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.86 0.00 129 A 8.54 4.08 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 0.00 130 N 7.65 4.76 0.00 2.98 2.96 0.00 0.00 5.72 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 0.00 131 M 8.31 4.09 0.00 1.96 2.04 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 1.96 0.00 132 V 7.70 3.44 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 0.94 0.00 0.00 0.84 0.00 0.00 133 H 9.05 4.20 0.00 3.24 3.29 0.00 5.83 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 L 7.77 4.05 0.00 1.73 1.71 0.73 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 135 Y 7.95 3.95 0.00 3.08 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 0.00 136 S 8.49 4.31 0.00 3.86 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 0.00 137 I 7.66 4.16 1.96 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 1.21 1.01 0.93 0.00 0.00 138 V 7.44 3.71 1.78 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 0.55 0.00 0.00 0.71 0.00 0.00 139 E 8.35 3.95 0.00 1.92 1.84 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 2.29 2.30 0.00 140 E 8.58 3.74 0.00 2.13 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 0.00 2.30 2.29 0.00 141 C 7.63 4.06 0.00 2.01 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 0.00 142 D 8.14 4.40 0.00 2.71 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 0.00 143 A 7.91 4.55 1.27 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 0.00 144 R 7.23 4.39 0.00 1.81 2.19 0.00 3.15 0.00 0.00 3.39 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.42 0.00 145 F 8.42 4.66 0.00 2.94 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 0.00 146 D 8.51 5.08 0.00 2.70 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 0.00 147 E 8.79 4.00 0.00 2.08 2.05 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 2.44 2.53 0.00 148 K 8.10 3.98 0.00 1.85 1.91 0.00 1.72 0.00 0.00 1.85 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.56 1.58 7.81 149 T 8.11 4.11 4.59 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 1.61 0.00 0.00 150 I 8.28 3.53 1.87 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.74 0.93 0.00 0.00 151 E 7.78 3.99 0.00 2.16 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 0.00 2.31 2.34 0.00 152 E 8.16 3.93 0.00 2.32 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 0.00 2.42 2.64 0.00 153 M 7.89 3.59 0.00 1.67 1.73 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.81 0.00 154 L 7.40 3.90 0.00 1.98 1.68 0.97 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 155 E 8.02 3.93 0.00 2.12 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.52 0.00 156 I 8.41 3.78 2.10 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.89 1.10 0.00 0.00 157 I 8.36 3.86 1.90 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.12 0.92 0.00 0.00 158 S 8.13 4.14 0.00 3.99 4.13 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 0.00 159 A 7.72 3.90 0.78 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 0.00 160 Y 7.50 4.40 0.00 3.01 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *161 A 8.04 4.11 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 * Residues marked with a * may have inaccurate shift predictions.