NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.6863 8.3501 109.7281 45.3126 0.0000 173.4961 *2 A 4.0022 7.8298 121.1426 50.7992 19.5020 175.5336 3 P 4.6267 0.0000 0.0000 61.3716 32.8583 175.7417 4 W 4.2396 8.4464 118.4302 56.6381 29.8024 176.1502 5 R 4.7924 8.9767 122.9102 54.0524 33.3589 174.5005 6 K 4.4304 8.9742 123.7056 57.1036 32.8484 176.2195 7 A 4.2569 8.9677 126.4861 52.1059 18.6425 176.0786 8 D 4.6958 8.7879 120.4811 55.6555 43.4036 176.9930 9 K 4.0206 7.8553 117.6015 57.9245 31.7696 177.4042 10 E 4.0577 8.6153 119.5453 57.0296 31.0723 177.1265 11 R 4.4172 8.6233 121.6086 57.3207 33.1831 174.7770 12 H 5.3028 7.8650 113.5498 54.4341 33.8194 172.4812 13 G 4.5189 8.6413 106.3056 45.7580 0.0000 172.3093 14 V 5.1495 8.7754 119.0127 59.4607 35.0127 174.8102 15 A 4.9700 8.7978 125.4814 52.0150 19.1505 177.9369 16 I 4.2751 8.6920 115.9673 61.5709 38.5107 174.8171 17 Y 4.7199 7.6815 122.4141 56.4667 41.8230 173.1984 18 N 4.8975 8.5577 121.2527 52.6859 38.7830 174.0058 19 F 4.8419 9.1880 125.4222 56.6498 41.5882 174.3011 20 Q 4.4041 8.4691 126.5830 54.5647 29.0098 176.0612 21 G 3.5740 8.8049 113.5536 44.6529 0.0000 172.2328 22 S 4.6129 8.8281 112.8217 58.0872 63.3379 174.9344 23 G 3.9235 8.4241 106.8939 44.9270 0.0000 173.2284 24 A 4.4486 8.3487 121.7798 52.0310 18.7324 176.3193 25 P 4.5092 0.0000 0.0000 64.2395 32.4523 176.0812 26 Q 4.6731 8.0718 120.9761 55.9542 29.5269 175.2838 27 L 4.7283 9.1527 126.6009 53.3717 43.1633 176.3501 28 S 4.5203 8.8190 122.8129 58.7592 63.7442 173.7769 29 L 5.0736 9.2568 122.1835 53.2163 45.9888 175.5231 30 Q 4.9554 10.2515 120.7890 53.6708 31.7937 175.3413 31 I 3.8903 8.3093 122.0063 62.9171 38.3950 176.1642 32 G 4.0642 9.1015 115.9715 45.2373 0.0000 173.6019 33 D 4.4259 8.0287 120.5240 54.9376 41.9862 175.7257 34 V 4.6366 8.4111 123.2976 61.7798 33.4753 174.9345 35 V 4.7864 9.1163 120.4871 59.4911 36.0384 174.3169 36 R 4.5286 8.3227 123.7949 54.8859 31.5288 175.0872 37 I 4.1835 8.2406 128.7130 60.7129 37.1553 175.5317 38 Q 4.4058 9.1793 127.3507 57.5648 30.4894 175.6976 39 E 5.1804 8.0444 115.9079 55.2706 34.9048 174.5060 40 T 5.1991 8.9947 116.3822 62.5843 73.5336 173.6682 41 C 4.0588 8.8521 122.8087 58.1216 34.0149 174.5106 42 G 3.6502 8.5238 119.0255 47.3437 0.0000 172.4265 43 D 4.5860 8.6582 124.4006 53.5666 40.8476 175.0737 44 W 5.1271 7.8852 118.8561 55.0873 33.5274 174.0351 45 Y 5.4501 8.7740 119.3760 56.3644 41.3317 174.5968 46 R 4.6961 8.7548 120.7671 55.0207 33.5305 174.9234 47 G 4.7007 9.0740 111.1399 47.0377 0.0000 171.3084 48 Y 5.5555 7.5588 116.4811 55.2836 42.3033 174.1640 49 L 4.5267 8.6656 120.3359 54.5059 42.0195 178.3779 50 I 3.7894 8.3326 126.1012 64.4642 37.2212 177.5484 51 K 4.0709 7.8134 116.9596 58.1363 32.3684 177.3824 52 H 4.8808 7.9374 115.6670 54.0148 30.4857 175.2307 53 K 4.0068 7.9508 129.9773 55.4448 31.4089 178.5274 *55 L 4.1004 7.7600 118.9396 54.7275 42.0688 176.1611 56 Q 5.0896 8.5523 123.3978 53.7944 32.6518 175.2530 57 G 4.0164 8.2776 109.6638 46.1135 0.0000 171.3323 58 I 5.0003 7.6239 113.0259 59.5406 40.3807 174.8317 59 F 5.1616 8.1282 117.1389 54.9384 41.8404 171.7527 60 P 3.8840 0.0000 0.0000 62.1446 31.8597 177.9935 61 K 3.8024 8.2477 123.4577 59.2571 32.0659 179.3289 62 S 4.2410 7.8647 111.6720 60.1096 63.2911 174.3686 63 F 4.5966 8.3969 119.2512 57.4380 39.9873 175.0910 64 I 5.1148 7.9241 120.1848 59.6773 39.8904 174.4948 65 H 4.8328 9.2547 126.7378 54.1572 31.7302 173.5351 66 I 4.2364 8.3261 127.5391 61.5969 37.3979 175.3423 67 K 4.7600 8.7406 127.3743 54.9572 35.9214 174.8474 68 E 4.7241 8.6757 121.4654 55.2856 31.2485 176.9400 69 V 4.4287 7.9216 111.8047 61.6938 33.8058 176.5463 70 T 3.4980 7.6120 115.5663 66.5877 67.6265 173.6629 *82 P 4.2249 0.0000 0.0000 62.8948 34.7500 177.6926 83 A 4.2433 7.4425 127.1695 52.3362 17.1051 177.6319 84 E 4.2603 8.0494 120.3253 59.1550 30.0971 178.0894 85 I 3.7797 7.4939 118.3157 63.4221 38.2355 176.3153 86 P 4.3151 0.0000 0.0000 65.3942 31.3896 178.2310 87 L 3.8981 7.6300 118.9482 57.9305 42.0862 178.6702 88 A 4.1151 7.9123 120.3833 55.2325 18.2373 179.4484 89 Q 3.9147 7.8328 118.0327 59.2375 29.1133 177.9377 90 E 3.9345 8.4359 120.8183 59.0053 29.6414 178.9164 91 V 3.4068 8.2631 118.8429 66.1251 31.5564 178.1063 92 T 3.7779 7.7423 115.2034 67.0955 68.3941 176.7814 93 T 4.0158 7.9281 117.5341 66.8774 68.4343 176.9626 94 T 3.5620 8.1456 118.0838 66.3823 68.3137 176.6243 95 L 3.6763 7.9642 121.1531 57.6304 41.2635 179.7108 96 W 4.1862 8.0320 118.7425 59.6570 28.5404 178.5516 97 E 4.1454 8.2832 118.5270 59.3837 28.9866 179.4319 98 W 4.5321 8.7900 119.5905 59.7466 29.1978 178.6787 99 G 3.8743 8.6973 106.2345 48.0213 0.0000 175.6646 100 S 4.2979 8.0981 114.9514 61.4212 62.4486 176.3974 101 I 3.9222 7.7764 122.1814 63.8648 36.7222 178.1177 102 W 4.4412 8.9862 129.7915 60.7088 30.4692 178.2073 103 K 3.9401 8.3279 117.9776 59.5322 31.4781 179.4162 104 Q 4.0222 7.8683 117.4566 58.8428 28.6358 178.7162 105 L 4.0163 8.1869 120.2067 58.1598 41.6276 178.3726 106 Y 3.2877 8.2047 119.6088 60.5223 38.3818 178.2354 107 V 3.0401 8.0213 120.0521 65.3701 31.7494 176.7487 108 A 4.3193 7.5403 119.3285 51.0953 19.0796 176.6274 109 S 3.4710 7.8980 111.5126 59.6713 61.3216 174.6588 110 K 4.3024 7.7144 119.3843 54.5734 28.9320 176.3462 111 K 3.8630 7.9609 122.5306 59.8673 32.5363 177.4441 112 E 3.9615 8.2661 118.2053 59.9096 29.5260 179.3000 113 R 3.9365 8.0159 117.0704 59.1572 30.2035 178.5810 114 F 4.3384 8.5735 120.5621 61.6232 39.4133 177.2833 115 L 3.9666 8.3297 118.5191 57.5594 41.1518 179.3037 116 Q 3.8594 7.9800 118.8112 59.3046 29.1505 178.2705 117 V 3.3830 7.8421 118.2544 65.5362 31.5229 177.3817 118 Q 3.0484 7.4407 118.6688 58.2200 30.2127 178.7984 119 S 4.1804 7.3165 118.6306 58.7584 59.3391 173.9821 *122 Y 4.7255 7.7099 121.7137 58.0160 40.3334 176.6089 123 D 3.6414 8.1135 119.5927 57.2262 40.9072 180.1312 124 L 4.0837 7.3583 115.6298 55.2928 41.2154 178.5877 *126 E 4.2168 8.3303 121.5113 56.1224 31.4130 177.9223 127 W 4.4559 8.3897 119.0190 59.5905 28.9025 178.5643 128 R 3.8922 8.5494 119.2576 59.5050 29.3528 178.3321 129 S 4.0796 8.0762 111.0099 61.7188 62.6444 175.7546 130 Q 4.1731 8.3189 120.6276 59.0106 28.2428 178.7298 131 L 4.0641 8.2843 119.4003 57.2463 41.7437 178.5868 132 L 4.4688 7.8795 116.3976 54.9762 41.9682 178.3156 133 S 4.3508 7.7966 115.1485 59.0606 63.1495 175.1666 134 G 3.8978 7.9662 108.6400 46.5358 0.0000 173.9898 135 T 4.3769 7.7523 115.5271 63.1070 69.6657 174.8012 136 L 4.5654 7.5842 121.6021 52.3658 43.3596 175.2570 137 P 4.4455 0.0000 0.0000 62.2128 33.3619 177.1989 138 K 3.7547 8.6338 119.9822 60.0328 31.6515 177.9267 139 D 4.2923 8.1342 117.2913 57.8797 41.1145 178.2832 140 E 3.9397 8.0700 118.1225 59.0233 29.4827 178.9760 141 L 3.9298 8.0188 120.7830 57.8726 41.9863 178.9422 142 K 3.9177 8.0486 119.7081 59.5613 32.1712 178.7601 143 E 3.9259 7.8773 118.7414 59.1085 29.2738 179.0633 144 L 3.6414 7.8845 120.5475 57.8071 42.1106 179.1420 145 K 3.9240 7.9429 118.5615 59.4168 31.9480 178.9867 146 Q 3.9415 7.7722 119.6168 59.2082 28.9805 178.5822 147 K 3.8392 7.8831 119.4159 59.2388 31.8839 179.5670 148 V 3.9037 8.0143 119.1727 66.3671 31.4982 178.2712 149 T 3.9700 8.4431 109.9975 64.8874 68.5596 176.6400 150 S 4.1902 8.3487 118.1373 61.1969 62.8949 176.6265 151 K 4.2219 8.4205 122.2455 59.6130 31.9641 178.7507 152 I 3.9203 8.3374 120.5005 64.8838 37.2064 178.1960 153 D 4.4650 8.6761 119.9425 57.4241 40.6254 178.3646 154 Y 4.2413 8.7865 120.6964 60.6082 38.8963 178.0097 155 G 3.1010 8.8321 106.9842 47.8986 0.0000 175.2646 156 N 4.5492 8.8057 119.6716 55.7372 38.5665 177.4371 157 K 3.8842 7.9537 121.0228 59.5281 32.1751 178.8811 158 I 3.7769 7.1908 111.2811 62.7733 37.6326 176.9473 159 L 4.2923 7.4048 119.1750 53.0519 42.6833 176.1787 160 E 3.8108 7.4826 117.0537 57.9903 27.3666 174.9865 161 L 4.6640 8.2338 111.6058 54.3905 42.9916 177.0704 162 D 4.8128 8.2491 122.9266 54.8028 41.9527 173.0254 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 0 G 8.35 3.69 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 0.00 0.00 0.00 *2 A 7.83 4.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 P 0.00 4.63 0.00 2.23 2.09 0.00 3.71 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 1.95 1.98 0.00 4 W 8.45 4.24 0.00 3.23 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 R 8.98 4.79 0.00 1.86 1.71 0.00 3.12 0.00 0.00 3.18 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 6 K 8.97 4.43 0.00 1.72 1.79 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.80 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.50 1.52 7.81 7 A 8.97 4.26 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 8 D 8.79 4.70 0.00 2.61 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 9 K 7.86 4.02 0.00 1.81 1.65 0.00 1.83 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.46 1.44 7.81 10 E 8.62 4.06 0.00 1.99 1.97 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 2.13 1.91 0.00 11 R 8.62 4.42 0.00 1.86 1.92 0.00 3.14 0.00 0.00 3.43 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.52 0.00 12 H 7.87 5.30 0.00 3.29 3.08 0.00 5.90 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 G 8.64 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.78 5.15 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 0.96 0.00 0.00 1.00 0.00 0.00 15 A 8.80 4.97 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 16 I 8.69 4.28 1.93 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 1.41 0.73 0.97 0.00 0.00 17 Y 7.68 4.72 0.00 2.89 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 18 N 8.56 4.90 0.00 2.85 2.82 0.00 0.00 5.82 7.43 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 19 F 9.19 4.84 0.00 2.48 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 20 Q 8.47 4.40 0.00 1.85 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.75 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 21 G 8.80 3.57 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 0.00 0.00 0.00 22 S 8.83 4.61 0.00 3.99 3.97 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 23 G 8.42 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 24 A 8.35 4.45 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 25 P 0.00 4.51 0.00 2.01 2.22 0.00 3.66 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.91 0.00 26 Q 8.07 4.67 0.00 2.25 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.74 0.00 0.00 0.00 0.00 0.00 2.43 2.30 0.00 27 L 9.15 4.73 0.00 1.85 1.99 1.01 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 28 S 8.82 4.52 0.00 3.78 3.73 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 29 L 9.26 5.07 0.00 1.63 1.52 0.60 0.62 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 30 Q 10.25 4.96 0.00 1.95 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.93 0.00 0.00 0.00 0.00 0.00 2.30 2.44 0.00 31 I 8.31 3.89 1.79 0.00 0.00 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 1.34 0.89 0.88 0.00 0.00 32 G 9.10 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 0.00 0.00 0.00 33 D 8.03 4.43 0.00 2.64 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 34 V 8.41 4.64 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 1.01 0.00 0.00 35 V 9.12 4.79 1.97 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 0.35 0.00 0.00 0.89 0.00 0.00 36 R 8.32 4.53 0.00 1.40 0.66 0.00 3.01 0.00 0.00 2.78 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.16 0.00 37 I 8.24 4.18 1.59 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.52 0.50 0.00 0.00 38 Q 9.18 4.41 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.63 0.00 0.00 0.00 0.00 0.00 2.43 2.36 0.00 39 E 8.04 5.18 0.00 2.25 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 0.00 2.39 2.39 0.00 40 T 8.99 5.20 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 1.15 0.00 0.00 41 C 8.85 4.06 0.00 1.23 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 0.00 0.00 0.00 0.00 0.00 0.00 42 G 8.52 3.65 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 0.00 0.00 0.00 43 D 8.66 4.59 0.00 2.47 2.38 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 44 W 7.89 5.13 0.00 3.28 3.15 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 45 Y 8.77 5.45 0.00 2.19 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 R 8.75 4.70 0.00 1.31 1.62 0.00 2.39 0.00 0.00 3.06 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.44 0.00 47 G 9.07 4.70 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 0.00 48 Y 7.56 5.56 0.00 3.11 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 49 L 8.67 4.53 0.00 1.96 1.68 0.95 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 50 I 8.33 3.79 1.84 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 1.25 0.75 0.90 0.00 0.00 51 K 7.81 4.07 0.00 1.48 1.38 0.00 1.26 0.00 0.00 0.76 0.00 0.00 2.68 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.06 1.21 7.81 52 H 7.94 4.88 0.00 3.09 3.17 0.00 5.67 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 K 7.95 4.01 0.00 1.58 1.35 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.46 7.81 *55 L 7.76 4.10 0.00 1.92 1.73 0.90 0.59 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 56 Q 8.55 5.09 0.00 2.08 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.98 0.00 0.00 0.00 0.00 0.00 2.27 2.59 0.00 57 G 8.28 4.02 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 0.00 0.00 0.00 58 I 7.62 5.00 2.11 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.97 0.65 0.00 0.00 59 F 8.13 5.16 0.00 2.89 3.39 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 60 P 0.00 3.88 0.00 1.87 1.25 0.00 2.20 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.44 0.00 61 K 8.25 3.80 0.00 1.48 1.51 0.00 1.30 0.00 0.00 1.27 0.00 0.00 2.41 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.30 0.65 7.81 62 S 7.86 4.24 0.00 3.83 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 63 F 8.40 4.60 0.00 3.20 3.24 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 0.00 64 I 7.92 5.11 2.38 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 1.70 1.51 1.01 0.00 0.00 65 H 9.25 4.83 0.00 3.19 3.19 0.00 5.59 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 I 8.33 4.24 1.84 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 1.26 0.96 0.97 0.00 0.00 67 K 8.74 4.76 0.00 1.80 1.67 0.00 1.79 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.43 7.81 68 E 8.68 4.72 0.00 1.99 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 2.24 2.25 0.00 69 V 7.92 4.43 1.97 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 0.65 0.00 0.00 0.49 0.00 0.00 70 T 7.61 3.50 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 1.21 0.00 0.00 *82 P 0.00 4.22 0.00 2.06 2.01 0.00 3.67 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.08 0.00 83 A 7.44 4.24 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 84 E 8.05 4.26 0.00 2.02 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 2.35 2.55 0.00 85 I 7.49 3.78 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 1.69 1.35 0.91 0.00 0.00 86 P 0.00 4.32 0.00 2.30 2.28 0.00 3.66 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 1.98 2.01 0.00 87 L 7.63 3.90 0.00 2.04 1.86 0.96 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 88 A 7.91 4.12 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.83 3.91 0.00 2.08 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 90 E 8.44 3.93 0.00 2.04 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 0.00 2.24 2.28 0.00 91 V 8.26 3.41 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 0.80 0.00 0.00 0.96 0.00 0.00 92 T 7.74 3.78 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 93 T 7.93 4.02 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 94 T 8.15 3.56 3.81 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 -0.27 0.00 0.00 95 L 7.96 3.68 0.00 1.54 1.35 0.71 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 96 W 8.03 4.19 0.00 3.39 3.21 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 0.00 97 E 8.28 4.15 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.52 0.00 98 W 8.79 4.53 0.00 3.25 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 99 G 8.70 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 0.00 100 S 8.10 4.30 0.00 4.08 4.17 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 0.00 101 I 7.78 3.92 2.13 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.53 0.96 0.00 0.00 102 W 8.99 4.44 0.00 3.40 3.52 0.00 0.00 0.00 0.00 0.00 0.00 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 8.33 3.94 0.00 2.13 1.91 0.00 1.85 0.00 0.00 1.73 0.00 0.00 3.08 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.51 1.89 7.81 104 Q 7.87 4.02 0.00 2.40 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.68 0.00 105 L 8.19 4.02 0.00 2.11 1.87 1.06 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 106 Y 8.20 3.29 0.00 2.43 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 0.00 107 V 8.02 3.04 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 0.72 0.00 0.00 1.04 0.00 0.00 108 A 7.54 4.32 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 0.00 109 S 7.90 3.47 0.00 3.82 3.80 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 0.00 0.00 0.00 110 K 7.71 4.30 0.00 1.81 1.77 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.39 1.61 7.81 111 K 7.96 3.86 0.00 1.81 1.91 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.67 7.81 112 E 8.27 3.96 0.00 2.05 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 2.41 2.46 0.00 113 R 8.02 3.94 0.00 2.03 2.01 0.00 3.29 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.63 0.00 114 F 8.57 4.34 0.00 3.18 3.37 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.33 3.97 0.00 1.81 1.74 1.01 0.86 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 0.00 116 Q 7.98 3.86 0.00 2.10 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.98 0.00 0.00 0.00 0.00 0.00 2.29 2.37 0.00 117 V 7.84 3.38 2.14 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 0.56 0.00 0.00 0.77 0.00 0.00 118 Q 7.44 3.05 0.00 1.92 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.12 0.00 0.00 0.00 0.00 0.00 1.37 1.73 0.00 119 S 7.32 4.18 0.00 3.94 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 *122 Y 7.71 4.73 0.00 2.93 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 D 8.11 3.64 0.00 2.04 1.54 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 0.00 124 L 7.36 4.08 0.00 1.54 1.53 0.34 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 *126 E 8.33 4.22 0.00 1.95 1.97 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 2.29 2.56 0.00 127 W 8.39 4.46 0.00 3.41 3.09 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 0.00 128 R 8.55 3.89 0.00 1.90 1.97 0.00 3.15 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 129 S 8.08 4.08 0.00 3.89 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 0.00 130 Q 8.32 4.17 0.00 2.40 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.57 0.00 0.00 0.00 0.00 0.00 2.43 2.78 0.00 131 L 8.28 4.06 0.00 1.75 1.74 0.95 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 132 L 7.88 4.47 0.00 1.60 1.70 0.92 1.14 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 0.00 133 S 7.80 4.35 0.00 4.03 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 0.00 134 G 7.97 3.90 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 0.00 0.00 0.00 135 T 7.75 4.38 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 0.00 136 L 7.58 4.57 0.00 1.61 1.56 0.90 1.03 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 0.00 137 P 0.00 4.45 0.00 2.24 2.16 0.00 3.82 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 2.06 2.01 0.00 138 K 8.63 3.75 0.00 1.79 1.86 0.00 1.74 0.00 0.00 1.73 0.00 0.00 2.88 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.50 1.46 7.81 139 D 8.13 4.29 0.00 2.80 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 0.00 140 E 8.07 3.94 0.00 2.01 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 2.36 2.33 0.00 141 L 8.02 3.93 0.00 1.84 1.82 0.90 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 142 K 8.05 3.92 0.00 1.85 1.92 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.45 7.81 143 E 7.88 3.93 0.00 1.90 1.88 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 2.45 2.40 0.00 144 L 7.88 3.64 0.00 1.75 1.69 0.23 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 145 K 7.94 3.92 0.00 1.99 1.82 0.00 1.70 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.61 7.81 146 Q 7.77 3.94 0.00 2.07 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 147 K 7.88 3.84 0.00 1.36 0.91 0.00 1.41 0.00 0.00 0.99 0.00 0.00 2.34 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.17 1.31 7.81 148 V 8.01 3.90 2.28 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 1.20 0.00 0.00 1.19 0.00 0.00 149 T 8.44 3.97 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 1.23 0.00 0.00 150 S 8.35 4.19 0.00 4.13 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 0.00 151 K 8.42 4.22 0.00 2.41 2.28 0.00 1.71 0.00 0.00 1.90 0.00 0.00 3.46 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.67 1.94 7.81 152 I 8.34 3.92 2.09 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 1.36 0.78 0.97 0.00 0.00 153 D 8.68 4.46 0.00 2.82 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 0.00 154 Y 8.79 4.24 0.00 3.11 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 0.00 155 G 8.83 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 0.00 0.00 0.00 156 N 8.81 4.55 0.00 2.87 3.00 0.00 0.00 6.72 8.13 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 0.00 157 K 7.95 3.88 0.00 1.99 1.84 0.00 1.59 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.61 7.81 158 I 7.19 3.78 1.62 0.00 0.00 0.42 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 0.33 0.43 0.00 0.00 159 L 7.40 4.29 0.00 1.56 1.63 0.28 0.71 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 0.00 160 E 7.48 3.81 0.00 2.07 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 2.24 2.22 0.00 161 L 8.23 4.66 0.00 1.67 1.74 1.27 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 162 D 8.25 4.81 0.00 2.82 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.