NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.2959 8.1576 120.1282 56.0258 34.5310 177.5620 3 P 4.2841 0.0000 0.0000 64.4306 30.8349 176.6196 4 L 3.8912 8.5577 121.0067 57.7630 42.5783 180.0246 5 K 3.9459 7.9684 117.9733 59.5632 31.8476 178.9787 6 E 3.9657 8.2512 118.8523 58.9205 29.3902 179.4089 7 V 3.3819 7.6939 118.3978 65.9752 31.5432 178.3405 8 V 3.6783 7.7151 117.9711 65.8365 31.3972 178.0316 9 G 3.6719 8.1525 105.3185 47.8834 0.0000 175.5234 10 A 4.1229 8.1615 123.2694 55.0913 18.4111 179.2508 11 Y 4.1324 8.3197 115.3242 61.4572 37.9688 179.0918 12 L 4.1132 8.5512 119.8973 57.5917 41.6843 179.4093 13 A 4.0401 8.1386 120.9045 55.0635 18.2886 179.4964 14 L 3.9120 8.1509 118.9103 58.2798 42.2712 179.2100 15 S 4.3131 8.3011 115.1963 61.8347 62.8354 176.4251 16 D 4.3656 8.3275 121.1802 57.3830 40.5494 178.7175 17 A 4.2784 7.9287 122.4816 54.8149 18.2465 179.6820 18 Q 3.9692 8.3213 116.5821 59.2755 28.8147 179.3738 19 R 3.9806 8.0182 118.8540 59.2464 29.7644 179.1298 20 Q 4.0046 8.2668 118.0135 58.6347 28.6521 178.6711 21 L 4.1041 8.1499 120.2956 57.9013 41.5044 179.6441 22 V 3.6032 7.3652 116.6600 65.8345 31.5617 177.2269 23 A 4.2374 7.6866 117.7942 52.2355 18.5478 178.1946 24 G 3.1316 7.3961 105.2566 45.9558 0.0000 175.6600 25 E 4.1954 7.6175 121.9042 55.1206 26.3430 176.5087 26 Y 4.3631 7.2983 120.2937 60.8703 38.5373 177.4872 27 D 4.3984 8.1641 119.4940 57.5941 40.9705 178.6190 28 E 3.9979 8.1649 118.2652 59.1976 29.5685 179.0453 29 A 4.0976 8.1892 120.6656 55.1001 18.5027 179.5149 30 A 3.9515 8.3324 119.1762 55.2833 18.4513 179.6793 31 A 3.9558 7.8416 118.8107 55.5677 18.3973 179.7104 32 N 4.3519 8.4712 115.0352 56.4049 38.3124 177.6020 33 C 4.1267 7.9884 117.6640 62.8711 28.3160 175.9731 34 R 4.0796 7.7202 118.4120 59.2573 29.9354 178.7944 35 R 4.1016 8.3085 118.4258 59.1420 30.0149 178.6545 36 A 3.9572 8.1325 116.8357 53.2592 17.6072 178.7130 *38 E 4.2945 8.0791 121.4773 57.9235 31.8393 178.6016 39 I 3.6167 7.8979 119.5853 64.2945 37.3343 178.6048 40 S 3.6818 7.9269 113.8559 61.3971 62.6772 174.7760 41 H 4.5819 7.6199 115.4220 56.2345 28.8645 176.3637 42 T 4.2055 7.3469 112.9725 59.2614 67.2567 172.2403 *44 P 4.2116 0.0000 0.0000 62.2778 32.9257 176.8881 45 P 4.2724 0.0000 0.0000 65.7110 31.3174 177.1035 46 E 4.1439 8.2578 116.7072 57.4547 29.8421 176.5461 47 E 4.3805 7.6945 116.9223 54.2009 30.7855 180.9248 48 A 4.1706 8.5801 127.6705 51.5656 18.8175 176.4509 49 F 4.5185 8.2188 121.9511 56.5051 41.9046 174.4893 50 D 4.5061 7.1966 127.3264 53.1438 39.0691 176.3549 51 H 4.3599 8.3358 121.4574 58.1959 29.2537 176.5915 52 A 4.0078 8.0430 122.1632 55.1896 18.3169 179.8188 53 G 2.8029 7.7398 104.8904 46.9696 0.0000 175.5137 54 F 3.6260 7.9665 123.3890 60.9760 39.3337 176.9473 55 D 4.2855 8.4722 118.6328 57.2077 40.5725 178.6394 56 A 3.8875 7.5629 121.1445 55.1369 18.2609 179.7245 57 F 4.1535 8.2495 116.3214 60.8803 38.8802 177.7557 58 C 4.0081 7.8476 116.3261 63.1673 27.8358 175.9384 59 H 4.2682 8.5180 117.9555 58.5608 28.2083 177.8190 60 A 4.1548 8.3685 122.8664 55.2136 18.3209 179.8712 61 G 3.6050 8.0652 104.3094 47.9032 0.0000 175.5947 62 L 3.9911 8.4115 123.0068 57.7813 42.0744 178.9090 63 A 3.9910 8.3022 120.9557 55.1296 18.3528 179.2119 64 E 3.9414 8.5564 118.9541 58.7245 29.7075 178.9292 65 A 3.9655 8.0473 120.7584 55.2990 18.4872 179.6629 66 L 3.8650 8.2221 117.6074 57.7319 41.6326 179.6688 67 A 4.0013 8.1995 121.0668 55.0542 18.1028 179.8777 68 G 2.7832 7.4205 103.1577 47.4104 0.0000 175.1290 69 L 4.1950 7.3216 118.2594 54.2228 41.8950 177.2167 70 R 2.5100 7.0896 116.7861 57.1837 28.3974 177.9987 71 S 4.3457 7.2446 113.5182 57.1705 59.2252 173.6586 72 F 4.4149 7.4720 124.6623 59.9661 39.1145 176.4929 73 D 4.3469 8.1352 117.3624 57.6171 41.1845 178.0932 74 E 4.0113 8.1958 118.3079 59.1812 29.3880 179.0878 75 A 3.9854 8.0164 120.8887 55.0230 18.4903 179.3138 76 L 3.8843 8.1913 119.0564 58.7244 42.2920 178.7736 77 H 4.1312 8.0966 117.9587 59.1857 29.8995 177.2353 78 S 4.0713 8.2322 114.9137 61.2505 62.1820 175.9597 79 A 4.0789 8.3307 123.8107 55.3082 18.1263 179.3063 80 D 4.3282 8.2313 117.3865 57.5248 40.6060 179.2229 81 K 3.8951 7.8893 118.3744 59.2031 31.9492 179.3629 82 A 4.0511 7.9336 120.7127 55.2238 18.3305 179.7794 83 L 4.1852 8.4645 117.8311 57.9916 40.0378 179.1296 84 H 4.0677 8.4026 118.5918 59.1452 29.6322 176.7689 85 Y 3.8496 7.4367 121.4550 60.6904 38.7831 177.5472 86 F 3.6675 7.6568 118.5840 60.3529 38.5615 177.4813 87 N 4.4134 8.1378 118.0043 56.2972 38.3065 177.9825 88 R 4.2075 7.0236 122.7017 60.8752 29.8998 182.1045 89 R 4.5895 7.2074 115.3000 55.2085 30.3357 178.2101 90 G 3.5427 7.2685 107.4958 45.9555 0.0000 174.1112 91 E 4.7182 8.8436 121.0995 53.9739 31.4046 176.7720 92 L 4.0653 8.9451 127.2330 57.9950 42.2684 177.7869 93 N 4.9066 8.2279 114.2679 53.1015 38.6598 174.1111 94 Q 4.7330 7.5832 117.6796 53.5958 32.0893 176.2180 95 D 4.4334 8.8958 118.6017 58.1137 41.3634 179.2683 96 E 3.9850 8.7419 118.1296 59.8389 29.4295 179.6054 97 G 4.0413 8.3800 106.9696 47.1790 0.0000 175.7728 98 K 3.9462 8.0696 120.5009 59.3771 32.0395 179.4102 99 L 3.9320 7.6695 118.9857 56.9320 41.4119 179.2725 100 W 3.1713 7.3386 127.9827 60.3054 30.6317 177.8095 101 I 3.5539 7.6750 119.6644 64.3618 36.4413 178.2794 102 S 4.1069 8.0255 113.6600 61.4993 62.2384 176.1707 103 A 4.0936 8.2054 123.3960 55.1568 18.1072 179.8257 104 V 3.6060 7.9815 116.9230 66.1745 31.5798 177.7032 105 Y 4.0630 8.2925 119.4437 60.8821 38.6959 178.0979 106 S 4.0299 8.5617 116.5295 61.5364 62.8287 176.6932 107 R 3.9138 8.1144 121.1483 59.2365 29.8228 178.4633 108 A 3.4639 7.6394 120.4928 54.9904 18.1319 179.6362 109 L 3.8000 7.5392 117.2795 57.6232 41.5840 179.7370 110 A 3.9435 8.1484 121.0175 55.1659 18.3153 179.6218 111 L 3.8370 7.8808 117.7081 57.9236 41.6438 179.3784 112 D 4.3077 8.0673 118.0438 57.3028 41.0036 178.5843 113 G 2.5057 7.4143 105.1421 46.7614 0.0000 174.6292 114 L 4.4605 7.4051 118.7207 54.2394 41.8561 177.4217 115 G 3.8281 7.6963 107.1006 46.1156 0.0000 175.4545 116 R 4.4653 7.8674 120.0247 54.5747 28.9129 177.6403 117 G 3.5944 7.8231 108.0633 48.3650 0.0000 173.3659 118 A 4.1162 8.0368 121.9506 54.7518 18.4877 178.1432 119 E 4.2278 8.0917 114.3707 58.4083 30.3940 178.2996 120 A 4.1944 7.6557 121.9974 51.5686 17.9582 177.4302 *122 P 4.3933 0.0000 0.0000 64.3709 33.6132 178.5942 123 E 3.9380 7.6700 119.0891 59.2260 29.1032 179.1264 124 F 4.3470 8.1862 117.9263 60.5367 38.9485 177.8431 125 K 4.0290 8.1618 117.6938 59.3923 31.6979 179.1302 126 K 4.1725 7.8447 120.2534 58.7409 32.1193 178.7154 127 V 3.6887 7.6287 117.9495 65.9861 31.7928 177.8925 128 V 3.7819 7.5769 117.9835 65.9043 31.0886 178.6400 129 E 4.2261 7.9539 116.6630 56.5499 28.2686 178.8878 *131 I 4.0890 7.7222 121.9824 61.5574 39.0902 177.9781 132 E 3.9401 8.1356 119.5170 59.5669 29.4955 179.2010 133 E 3.8987 8.0964 116.9413 59.1298 29.6191 178.0600 134 R 4.0692 7.2398 121.6807 56.2050 30.2940 176.3370 135 K 4.2411 8.6578 127.6118 53.9474 32.6068 172.2670 136 G 4.2128 9.1242 113.6522 43.0211 0.0000 174.1035 137 E 4.0219 8.6985 117.6032 56.5236 30.1420 178.2153 138 T 4.5267 8.0610 119.6247 59.2316 69.1947 170.5782 139 P 4.1800 0.0000 0.0000 64.1266 32.2914 177.0006 140 G 3.9097 8.9474 109.7004 45.5061 0.0000 175.3260 141 K 3.9430 7.6400 120.2191 59.6111 32.8275 178.5184 142 E 3.9838 8.1457 118.2518 59.2828 30.3565 177.5976 143 R 4.0707 7.2414 118.9053 56.5703 28.4776 176.0620 *146 E 4.2147 7.9283 122.4392 56.2152 32.1955 177.6617 147 V 3.5333 7.8576 117.3284 65.8223 31.5215 177.6848 148 A 3.4152 8.0351 119.9904 55.2718 18.3054 179.3605 149 I 3.5979 7.5823 116.4668 64.1439 38.1483 177.6872 150 D 4.2883 8.0535 119.8625 57.3736 40.6578 179.0046 151 R 3.7732 7.8733 118.7620 58.9944 29.9783 179.0079 152 I 3.6057 7.5826 119.4385 64.4935 36.9472 178.3088 153 A 3.9941 7.7161 119.8610 55.1929 18.3270 179.4932 154 Q 4.0444 8.1286 116.4676 59.1788 28.6331 178.8060 155 L 4.1013 8.2291 119.2010 57.1999 41.7191 178.8972 156 G 3.9523 7.8001 102.2739 44.6155 0.0000 174.0829 157 A 4.3373 7.6508 128.3719 52.2285 18.8206 177.3922 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 2 K 8.16 4.30 0.00 1.90 1.88 0.00 1.77 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.01 7.81 3 P 0.00 4.28 0.00 2.28 2.27 0.00 3.82 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 2.04 1.90 0.00 4 L 8.56 3.89 0.00 1.74 1.66 0.87 0.41 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 5 K 7.97 3.95 0.00 2.04 1.82 0.00 1.83 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.53 1.11 7.81 6 E 8.25 3.97 0.00 2.04 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 7 V 7.69 3.38 2.12 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 0.90 0.00 0.00 0.85 0.00 0.00 8 V 7.72 3.68 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 1.05 0.00 0.00 0.92 0.00 0.00 9 G 8.15 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 0.00 0.00 0.00 10 A 8.16 4.12 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 11 Y 8.32 4.13 0.00 3.31 3.14 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 12 L 8.55 4.11 0.00 1.75 1.78 0.96 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 13 A 8.14 4.04 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.15 3.91 0.00 1.77 1.85 0.80 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 15 S 8.30 4.31 0.00 4.13 3.96 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 0.00 0.00 0.00 16 D 8.33 4.37 0.00 3.02 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 17 A 7.93 4.28 1.47 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 0.00 0.00 18 Q 8.32 3.97 0.00 2.30 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.55 0.00 19 R 8.02 3.98 0.00 2.03 1.98 0.00 3.14 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 20 Q 8.27 4.00 0.00 2.27 2.30 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 2.52 2.50 0.00 21 L 8.15 4.10 0.00 1.92 1.84 1.10 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 22 V 7.37 3.60 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 0.81 0.00 0.00 0.97 0.00 0.00 23 A 7.69 4.24 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 24 G 7.40 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 0.00 0.00 0.00 25 E 7.62 4.20 0.00 1.93 2.01 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 2.22 2.24 0.00 26 Y 7.30 4.36 0.00 3.02 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 27 D 8.16 4.40 0.00 2.70 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 28 E 8.16 4.00 0.00 2.19 2.12 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 2.40 2.44 0.00 29 A 8.19 4.10 1.45 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 0.00 0.00 30 A 8.33 3.95 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 31 A 7.84 3.96 1.41 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 0.00 0.00 32 N 8.47 4.35 0.00 2.77 3.11 0.00 0.00 7.07 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 C 7.99 4.13 0.00 3.11 3.08 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 34 R 7.72 4.08 0.00 1.98 2.01 0.00 3.30 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 35 R 8.31 4.10 0.00 2.02 2.10 0.00 3.12 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 36 A 8.13 3.96 1.55 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 0.00 0.00 *38 E 8.08 4.29 0.00 2.28 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 0.00 2.32 2.52 0.00 39 I 7.90 3.62 2.01 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 1.35 0.98 0.88 0.00 0.00 40 S 7.93 3.68 0.00 3.56 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 41 H 7.62 4.58 0.00 2.99 3.36 0.00 5.84 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 T 7.35 4.21 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 1.24 0.00 0.00 *44 P 0.00 4.21 0.00 2.55 2.24 0.00 3.64 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 1.94 1.93 0.00 45 P 0.00 4.27 0.00 2.20 2.22 0.00 3.75 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 1.95 0.00 46 E 8.26 4.14 0.00 2.10 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 0.00 2.27 2.24 0.00 47 E 7.69 4.38 0.00 1.95 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 2.20 2.11 0.00 48 A 8.58 4.17 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 49 F 8.22 4.52 0.00 2.77 2.66 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 50 D 7.20 4.51 0.00 2.61 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 0.00 0.00 0.00 51 H 8.34 4.36 0.00 3.36 3.43 0.00 5.88 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.04 4.01 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 53 G 7.74 2.80 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 0.00 0.00 0.00 54 F 7.97 3.63 0.00 2.76 3.01 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 55 D 8.47 4.29 0.00 2.74 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 56 A 7.56 3.89 0.71 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 0.00 0.00 57 F 8.25 4.15 0.00 2.84 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 58 C 7.85 4.01 0.00 2.90 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 59 H 8.52 4.27 0.00 3.30 3.58 0.00 5.64 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 A 8.37 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 61 G 8.07 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.41 3.99 0.00 1.86 1.91 0.99 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 63 A 8.30 3.99 1.53 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 0.00 0.00 64 E 8.56 3.94 0.00 2.12 2.17 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 2.36 2.27 0.00 65 A 8.05 3.97 1.47 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 0.00 0.00 66 L 8.22 3.86 0.00 1.66 1.85 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.20 4.00 1.38 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 0.00 0.00 68 G 7.42 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 0.00 0.00 0.00 69 L 7.32 4.19 0.00 1.66 1.64 0.96 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 70 R 7.09 2.51 0.00 1.73 1.62 0.00 3.18 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.41 0.00 71 S 7.24 4.35 0.00 3.75 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 F 7.47 4.41 0.00 3.11 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 73 D 8.14 4.35 0.00 2.75 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 74 E 8.20 4.01 0.00 2.04 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 2.40 2.37 0.00 75 A 8.02 3.99 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.19 3.88 0.00 1.89 1.91 0.95 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 77 H 8.10 4.13 0.00 3.26 3.32 0.00 5.84 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 S 8.23 4.07 0.00 4.00 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 79 A 8.33 4.08 1.40 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 80 D 8.23 4.33 0.00 2.85 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 81 K 7.89 3.90 0.00 1.70 1.52 0.00 1.47 0.00 0.00 1.37 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.30 1.32 7.81 82 A 7.93 4.05 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 0.00 0.00 0.00 0.00 0.00 83 L 8.46 4.19 0.00 1.76 1.85 1.04 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 84 H 8.40 4.07 0.00 3.34 3.45 0.00 5.77 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 85 Y 7.44 3.85 0.00 2.97 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 86 F 7.66 3.67 0.00 2.46 1.45 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 87 N 8.14 4.41 0.00 2.67 2.88 0.00 0.00 6.90 8.18 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 88 R 7.02 4.21 0.00 1.92 1.83 0.00 3.21 0.00 0.00 3.26 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.50 0.00 89 R 7.21 4.59 0.00 1.76 1.78 0.00 3.23 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.40 0.00 90 G 7.27 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 0.00 0.00 0.00 91 E 8.84 4.72 0.00 2.20 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 2.20 2.07 0.00 92 L 8.95 4.07 0.00 1.65 1.67 0.52 0.41 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 93 N 8.23 4.91 0.00 2.82 2.81 0.00 0.00 6.97 7.69 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 94 Q 7.58 4.73 0.00 2.18 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.70 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 95 D 8.90 4.43 0.00 2.80 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 96 E 8.74 3.98 0.00 2.19 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 0.00 3.01 2.91 0.00 97 G 8.38 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 0.00 0.00 0.00 98 K 8.07 3.95 0.00 1.86 1.80 0.00 1.64 0.00 0.00 1.63 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.44 7.81 99 L 7.67 3.93 0.00 1.49 1.53 -0.13 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 100 W 7.34 3.17 0.00 2.62 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 I 7.68 3.55 1.76 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.29 0.81 0.00 0.00 102 S 8.03 4.11 0.00 3.96 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 0.00 103 A 8.21 4.09 1.57 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 0.00 104 V 7.98 3.61 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 1.02 0.00 0.00 1.12 0.00 0.00 105 Y 8.29 4.06 0.00 3.13 3.14 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 0.00 106 S 8.56 4.03 0.00 4.05 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 0.00 107 R 8.11 3.91 0.00 1.97 2.04 0.00 3.17 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 108 A 7.64 3.46 0.09 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 0.00 0.00 109 L 7.54 3.80 0.00 1.68 1.67 0.64 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 110 A 8.15 3.94 1.47 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 0.00 0.00 111 L 7.88 3.84 0.00 1.67 1.80 0.83 1.04 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 0.00 112 D 8.07 4.31 0.00 2.99 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 0.00 113 G 7.41 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 0.00 0.00 0.00 114 L 7.41 4.46 0.00 1.59 1.70 0.94 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 115 G 7.70 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 0.00 0.00 0.00 116 R 7.87 4.47 0.00 1.96 1.85 0.00 3.12 0.00 0.00 3.15 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.52 0.00 117 G 7.82 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 0.00 0.00 0.00 118 A 8.04 4.12 1.29 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 0.00 0.00 0.00 119 E 8.09 4.23 0.00 2.13 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 2.35 2.28 0.00 120 A 7.66 4.19 1.37 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 0.00 0.00 *122 P 0.00 4.39 0.00 2.25 2.37 0.00 3.76 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 2.11 2.00 0.00 123 E 7.67 3.94 0.00 1.99 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 2.36 2.38 0.00 124 F 8.19 4.35 0.00 3.09 3.01 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 0.00 125 K 8.16 4.03 0.00 2.02 1.88 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.56 1.55 7.81 126 K 7.84 4.17 0.00 2.16 1.96 0.00 1.77 0.00 0.00 1.48 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.45 1.18 7.81 127 V 7.63 3.69 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 0.90 0.00 0.00 1.07 0.00 0.00 128 V 7.58 3.78 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 0.96 0.00 0.00 1.03 0.00 0.00 129 E 7.95 4.23 0.00 2.14 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 2.30 2.32 0.00 *131 I 7.72 4.09 1.96 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 1.32 0.89 0.85 0.00 0.00 132 E 8.14 3.94 0.00 2.21 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 2.37 0.00 133 E 8.10 3.90 0.00 1.84 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 2.29 2.30 0.00 134 R 7.24 4.07 0.00 1.86 1.77 0.00 3.09 0.00 0.00 3.05 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.49 0.00 135 K 8.66 4.24 0.00 1.81 1.59 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.33 1.00 7.81 136 G 9.12 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 0.00 0.00 0.00 0.00 137 E 8.70 4.02 0.00 2.00 1.77 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 2.23 1.92 0.00 138 T 8.06 4.53 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 1.13 0.00 0.00 139 P 0.00 4.18 0.00 2.01 1.99 0.00 3.69 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 140 G 8.95 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 0.00 141 K 7.64 3.94 0.00 1.76 2.03 0.00 1.57 0.00 0.00 1.66 0.00 0.00 2.78 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.37 7.81 142 E 8.15 3.98 0.00 1.93 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 2.29 2.33 0.00 143 R 7.24 4.07 0.00 1.95 1.99 0.00 3.13 0.00 0.00 3.16 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 *146 E 7.93 4.21 0.00 2.05 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 2.26 2.29 0.00 147 V 7.86 3.53 2.34 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 1.06 0.00 0.00 1.07 0.00 0.00 148 A 8.04 3.42 1.47 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 0.00 0.00 149 I 7.58 3.60 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 1.61 1.16 0.90 0.00 0.00 150 D 8.05 4.29 0.00 2.69 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 0.00 151 R 7.87 3.77 0.00 0.88 1.62 0.00 3.35 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.40 0.00 152 I 7.58 3.61 1.99 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.81 0.90 0.00 0.00 153 A 7.72 3.99 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 0.00 154 Q 8.13 4.04 0.00 2.25 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.73 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 155 L 8.23 4.10 0.00 1.74 1.74 1.00 0.91 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 0.00 156 G 7.80 3.95 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 0.00 0.00 0.00 157 A 7.65 4.34 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 * Residues marked with a * may have inaccurate shift predictions.