NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 L 3.9383 8.1849 120.5775 54.5065 44.1497 177.8695 5 R 4.1100 7.8997 117.4486 56.8252 30.2459 176.3669 6 S 4.4110 8.6680 111.5173 58.6624 64.4562 174.0311 7 L 3.6386 7.1959 121.4973 55.5277 41.5471 176.2576 8 D 4.6751 8.1875 123.8705 52.6129 41.4303 174.7374 9 W 4.9031 8.5599 125.6258 55.8987 30.5863 175.8752 10 T 4.6500 9.2633 122.2946 61.5076 70.2245 173.8994 11 Q 3.8532 8.9510 128.0249 56.4619 29.2194 175.5429 12 V 4.0202 8.0004 119.5441 62.8714 32.8749 176.3238 13 I 4.3033 7.1507 116.6199 58.9657 40.7529 172.9150 14 A 3.8292 8.3891 126.3436 53.5624 18.3356 177.9238 15 G 3.9633 8.9356 110.0865 46.0406 0.0000 172.2232 16 Q 4.8323 8.0222 118.6065 54.0017 32.6337 173.9918 17 Y 5.2663 9.1637 120.6973 56.1477 42.3959 174.6791 18 V 5.2980 9.0143 121.3723 61.3756 35.1920 174.4759 19 S 4.8332 8.9171 119.8635 56.0499 66.7444 173.1635 20 N 5.1102 7.9149 115.4341 51.8523 39.0358 172.0770 21 P 4.5462 0.0000 0.0000 62.5410 32.8951 175.8796 22 R 4.7193 8.0937 116.7294 54.6227 32.8414 175.0304 23 F 4.8582 8.0430 117.1079 56.0519 41.4943 172.5271 24 N 4.9791 8.8033 117.2846 52.7387 39.1956 176.2142 25 I 3.9893 8.7259 126.2736 64.8177 37.1504 178.6138 26 S 4.5293 7.9878 113.7479 60.4655 62.9236 175.7915 27 D 4.3659 8.0126 122.4411 56.7904 40.7023 176.4123 28 Y 4.3218 7.9847 114.3822 57.1764 41.3865 175.6142 29 F 5.4388 8.6665 117.2838 55.3735 43.1631 174.0262 30 E 4.4081 9.7104 123.2159 55.6422 30.9374 175.2218 31 I 4.4613 8.4711 128.0973 60.8940 38.5903 175.8208 32 V 4.1894 9.0013 128.7307 61.0943 31.8187 174.8843 33 R 4.5268 8.5043 126.3914 56.2683 30.7040 176.2169 34 Q 4.6806 8.9105 121.4286 52.9500 31.7423 173.8856 35 P 4.2768 0.0000 0.0000 62.9617 32.2166 178.0024 36 G 3.9473 8.5123 113.9836 45.1315 0.0000 171.0202 37 D 5.1070 7.4508 117.9297 51.4376 42.5668 176.9048 38 G 4.2704 8.2161 105.9199 46.2402 0.0000 174.5215 39 N 4.9033 8.5604 117.1007 52.7487 38.9434 175.9844 40 C 3.9294 8.0980 117.6416 61.6564 29.3078 175.7265 41 F 3.6107 8.0634 122.0952 61.3400 38.8992 176.6846 42 Y 3.8998 7.6174 115.6683 60.9390 37.6564 177.6216 43 H 4.2816 8.2892 117.3972 59.2641 28.6505 177.9297 44 S 4.1019 7.8804 115.2683 61.5859 62.9656 176.4946 45 I 3.6600 7.2817 122.0241 64.1571 36.7938 178.3296 46 A 4.0283 8.3287 121.9592 55.2850 18.0612 179.0339 47 E 3.9054 8.2784 116.8857 59.1212 29.6392 178.2326 48 L 4.5773 7.5684 115.9636 54.8222 42.6446 176.9481 49 T 4.5754 7.9237 106.1718 60.9457 70.6411 173.5862 50 M 4.6844 7.7493 122.0828 52.4238 34.2083 173.9516 51 P 4.2032 0.0000 0.0000 64.3241 32.4317 176.2958 52 N 4.0768 8.6580 116.3540 54.3414 35.6579 173.8383 53 K 4.2004 7.6462 119.4110 56.2136 33.9013 175.5677 54 T 4.7762 9.1212 114.8503 59.9039 71.8064 174.1318 55 D 4.6731 8.7132 118.1337 55.8460 40.6380 176.6870 56 H 5.0802 8.1610 115.5084 55.3804 30.5797 175.9604 57 S 4.3470 8.2452 116.6104 61.3304 62.4644 175.7559 58 Y 4.2881 8.2748 120.3567 60.4185 37.3531 177.9772 59 H 3.6937 6.7103 116.5915 58.8031 28.6392 176.8558 60 Y 4.0830 8.0243 121.0143 60.8401 38.5866 178.1376 61 I 3.5709 7.9007 120.1280 64.4759 37.3252 178.4117 62 K 3.6049 8.1018 119.2407 59.1428 31.6334 179.2677 63 R 3.7766 8.1193 119.3536 59.5674 29.9813 178.6258 64 L 3.8729 7.7844 118.7950 57.9521 41.4027 179.6770 65 T 3.9762 8.1010 116.2080 66.3887 68.3408 176.2818 66 E 3.8952 8.0624 121.1842 59.3172 29.5018 178.8977 67 S 4.0146 7.8450 112.9081 61.2891 62.5178 175.6759 68 A 4.2622 8.1724 123.2996 55.5922 18.0092 179.0509 69 A 4.1156 8.5023 119.3243 55.5294 18.2935 179.7831 70 R 3.5383 7.9435 116.0150 59.2450 30.3048 178.5009 71 K 4.0338 7.4781 117.7922 57.8286 32.6282 176.7990 72 Y 4.8311 7.9867 114.1161 57.9502 40.2161 176.6152 73 Y 4.0826 8.9696 121.9631 60.8438 39.0507 178.4174 74 Q 3.8990 8.3833 117.1743 58.8106 28.8195 177.1577 75 E 4.4224 8.1248 113.8118 55.9359 30.0415 175.4648 76 E 4.2762 7.5739 120.2450 54.8389 30.3024 175.5365 77 P 4.1846 0.0000 0.0000 65.8019 31.3307 178.3053 78 E 3.9414 8.1288 117.1197 58.9376 29.5970 178.3347 79 A 3.7926 7.6017 120.4662 54.9650 17.9690 179.6184 80 R 3.9187 7.5982 115.5262 58.8240 30.1079 178.5767 81 L 4.1892 7.8912 118.4134 56.8847 42.0651 179.0536 82 V 3.8077 7.7673 119.0215 64.6670 31.3296 177.3989 83 G 4.1835 8.2940 106.3172 45.6385 0.0000 173.9440 84 L 4.2565 7.4571 118.0956 54.3159 42.3355 177.6839 85 S 4.5226 8.4080 115.9780 57.7505 65.2450 174.8148 86 L 3.5764 8.6969 124.5863 58.8634 41.8953 179.4498 87 E 4.0037 8.1539 117.4546 59.2986 29.6013 178.6753 88 D 4.5431 7.8371 117.1586 56.4642 40.8571 178.2529 89 Y 4.0877 8.0619 121.0306 60.6909 38.8122 177.6112 90 L 3.5385 7.6711 119.9186 57.4100 41.4066 179.5332 91 K 3.8173 7.2561 117.5149 59.4579 32.3222 178.6225 92 R 3.9462 7.4058 117.9624 59.5610 29.7792 178.1052 93 M 3.8805 7.6131 117.2022 58.4989 32.2140 177.8219 94 L 4.0727 7.5365 117.7907 55.7618 42.5085 177.8389 95 S 4.1215 7.3089 116.0342 58.4048 63.3302 173.5334 96 D 4.5504 8.6435 123.9351 56.0518 41.4355 175.7055 97 N 4.2325 8.9219 119.6865 53.8891 36.2405 173.1518 98 E 4.3088 8.0080 119.6908 54.9374 30.0077 176.5686 99 W 4.4481 9.0759 126.8148 57.2715 29.4976 176.4775 100 G 3.3746 8.5302 112.5930 44.9583 0.0000 171.6627 101 S 4.3637 7.2094 112.9152 56.2254 66.0336 176.0320 102 T 3.7164 8.3782 110.2511 64.8512 68.0111 175.8665 103 L 3.8448 7.6679 122.6853 58.2194 42.1229 178.8850 104 E 4.0589 7.8368 117.8369 59.1408 29.2416 179.2090 105 A 3.9285 7.5325 120.6239 54.9399 18.4995 179.4076 106 S 3.7262 7.2741 111.6017 61.6543 62.3722 176.4255 107 M 3.9715 7.7950 121.0203 58.3263 31.7955 178.7784 108 L 3.9947 8.6282 119.3041 57.6418 41.7380 179.2799 109 A 4.1228 8.2123 121.0815 55.1639 18.0151 179.8975 110 K 3.8737 7.5269 116.1490 59.2483 31.9128 179.1346 111 E 4.0510 8.1614 118.6551 59.7261 29.8405 178.3830 112 M 4.3294 8.4984 116.2128 54.8401 32.9571 176.1140 113 G 3.8769 7.7295 106.9787 46.6659 0.0000 172.5943 114 I 4.7688 7.7122 110.2628 59.2633 41.9091 175.2767 115 T 4.7604 8.3342 118.3382 61.9939 70.7124 173.6996 116 I 4.8882 8.6809 127.3817 59.5050 40.2939 174.6408 117 I 4.7589 8.6525 127.0412 59.4760 40.4686 174.4136 118 I 4.8355 8.5884 128.3902 59.5313 39.3060 174.6643 119 W 5.2554 9.2350 128.6957 55.7757 30.9069 175.3067 120 T 4.9603 8.8770 120.0291 60.8341 68.6359 173.4332 121 V 5.0029 7.9795 124.2561 59.6773 35.1129 175.8914 *125 D 4.4742 8.4216 119.3676 54.2110 41.0556 175.1190 126 E 4.5971 8.1978 118.7776 56.6755 30.5142 176.8656 127 V 3.7016 7.8043 125.6781 63.0400 31.5693 175.7920 128 E 4.0812 9.0308 128.0683 58.7019 30.0420 176.1363 129 A 4.7109 7.3940 117.4984 51.3578 22.8854 174.9149 130 G 4.2525 9.0510 105.6615 44.4787 0.0000 171.9195 131 I 5.0816 8.3976 122.7230 59.0088 40.4706 174.3124 132 K 4.4705 9.0682 129.0030 54.3618 34.5621 174.5400 133 F 5.0622 9.2954 126.7250 57.7462 40.9993 175.5865 134 G 4.2015 8.7873 110.2934 45.2175 0.0000 172.7395 135 D 4.3268 8.2281 116.9526 53.8355 41.6214 177.2276 136 G 3.7223 7.9696 109.3761 45.2409 0.0000 172.2529 137 D 4.7314 7.7921 119.1919 50.9249 41.3433 177.8790 138 V 3.7703 8.1652 117.8475 64.6186 31.2555 178.3020 139 F 4.2722 8.2546 118.8001 59.4359 38.9310 176.1076 140 T 4.4397 8.0086 108.6718 61.7114 70.0348 174.7872 141 A 4.3321 7.1883 123.4146 51.7885 19.6076 177.8052 142 V 3.9445 9.1000 120.5976 62.2796 32.3971 174.6297 143 N 5.2835 8.7461 126.5672 52.2317 40.0885 174.4665 144 L 5.2438 9.3234 124.0253 52.8303 45.6308 175.0492 145 L 5.1630 8.8750 123.6920 53.6936 44.6607 174.4086 146 H 5.1295 9.5337 127.3068 54.4686 31.6157 173.1947 147 S 4.6604 8.3679 120.5497 56.8937 66.4803 174.6984 148 G 3.9486 9.0838 108.0120 45.7336 0.0000 173.4504 149 Q 3.3339 8.0992 114.4744 56.5063 26.4596 174.1904 150 T 4.2348 7.6975 103.4171 61.1401 70.4519 172.7880 151 H 4.5534 7.1709 120.7099 55.0627 33.4674 171.7397 152 F 5.4149 8.2761 122.2292 55.9151 41.6150 174.1693 153 D 5.1227 9.0837 121.1012 52.5318 45.7147 174.2527 154 A 4.8981 8.4666 120.6703 50.8787 21.0555 176.3035 155 L 5.3079 8.5580 119.9334 53.0257 44.8768 176.4333 156 R 4.8893 9.1082 120.7758 54.1506 33.7536 175.0671 157 I 4.0121 9.0099 124.3356 61.7880 37.9674 175.9756 158 L 4.2420 9.0459 126.3011 54.2783 42.1531 176.8674 159 P 4.2811 0.0000 0.0000 65.5243 31.4874 177.9263 160 Q 3.9144 7.7728 114.5016 57.5432 28.8860 176.0202 161 F 4.6130 7.8473 122.5850 57.6704 39.1478 175.3113 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 4 L 8.18 3.94 0.00 1.63 1.23 0.60 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 5 R 7.90 4.11 0.00 1.99 2.06 0.00 3.41 0.00 0.00 3.81 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.71 0.00 6 S 8.67 4.41 0.00 3.93 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 7 L 7.20 3.64 0.00 1.80 1.26 1.25 0.77 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 8 D 8.19 4.68 0.00 2.61 2.50 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 9 W 8.56 4.90 0.00 3.17 3.12 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 0.00 0.00 0.00 10 T 9.26 4.65 4.30 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 1.24 0.00 0.00 11 Q 8.95 3.85 0.00 1.84 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.89 0.00 0.00 0.00 0.00 0.00 2.21 2.29 0.00 12 V 8.00 4.02 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 0.74 0.00 0.00 0.86 0.00 0.00 13 I 7.15 4.30 1.80 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.38 0.83 0.00 0.00 14 A 8.39 3.83 1.21 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 15 G 8.94 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 0.00 0.00 0.00 16 Q 8.02 4.83 0.00 1.82 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.43 6.66 0.00 0.00 0.00 0.00 0.00 2.29 2.47 0.00 17 Y 9.16 5.27 0.00 2.52 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 18 V 9.01 5.30 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 0.84 0.00 0.00 0.92 0.00 0.00 19 S 8.92 4.83 0.00 3.22 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 20 N 7.91 5.11 0.00 2.63 2.75 0.00 0.00 6.97 8.02 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 21 P 0.00 4.55 0.00 2.33 2.04 0.00 3.83 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.21 0.00 22 R 8.09 4.72 0.00 1.68 1.85 0.00 3.24 0.00 0.00 3.28 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 23 F 8.04 4.86 0.00 3.15 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 N 8.80 4.98 0.00 2.93 2.83 0.00 0.00 6.79 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 25 I 8.73 3.99 1.88 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 1.34 0.83 1.00 0.00 0.00 26 S 7.99 4.53 0.00 4.07 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 27 D 8.01 4.37 0.00 2.93 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 0.00 0.00 0.00 28 Y 7.98 4.32 0.00 2.34 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 0.00 0.00 0.00 0.00 29 F 8.67 5.44 0.00 2.98 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 30 E 9.71 4.41 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 31 I 8.47 4.46 1.91 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 1.28 0.74 0.95 0.00 0.00 32 V 9.00 4.19 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 1.03 0.00 0.00 0.98 0.00 0.00 33 R 8.50 4.53 0.00 1.75 1.86 0.00 3.38 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 34 Q 8.91 4.68 0.00 2.02 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 35 P 0.00 4.28 0.00 1.94 1.93 0.00 3.47 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.96 0.00 36 G 8.51 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 37 D 7.45 5.11 0.00 2.95 2.72 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 38 G 8.22 4.27 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 0.00 39 N 8.56 4.90 0.00 2.37 2.04 0.00 0.00 6.70 7.18 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 40 C 8.10 3.93 0.00 3.23 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 F 8.06 3.61 0.00 2.59 2.44 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 0.00 42 Y 7.62 3.90 0.00 3.22 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 43 H 8.29 4.28 0.00 3.25 3.54 0.00 5.62 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 44 S 7.88 4.10 0.00 3.72 3.86 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 45 I 7.28 3.66 1.75 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.47 0.83 0.00 0.00 46 A 8.33 4.03 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 47 E 8.28 3.91 0.00 2.04 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 2.36 2.45 0.00 48 L 7.57 4.58 0.00 1.65 1.72 1.00 1.07 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 49 T 7.92 4.58 4.30 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 1.27 0.00 0.00 50 M 7.75 4.68 0.00 1.99 2.13 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 2.62 2.50 0.00 51 P 0.00 4.20 0.00 2.01 1.98 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 1.99 2.10 0.00 52 N 8.66 4.08 0.00 2.78 2.79 0.00 0.00 6.96 7.61 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 53 K 7.65 4.20 0.00 1.89 1.73 0.00 1.94 0.00 0.00 1.79 0.00 0.00 3.15 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.48 1.38 7.81 54 T 9.12 4.78 4.30 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 1.25 0.00 0.00 55 D 8.71 4.67 0.00 2.58 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 56 H 8.16 5.08 0.00 3.31 3.33 0.00 5.82 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.25 4.35 0.00 4.00 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 58 Y 8.27 4.29 0.00 3.25 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 59 H 6.71 3.69 0.00 3.04 3.20 0.00 5.62 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 60 Y 8.02 4.08 0.00 3.03 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 61 I 7.90 3.57 2.16 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.90 1.08 0.00 0.00 62 K 8.10 3.60 0.00 1.71 1.55 0.00 1.47 0.00 0.00 1.55 0.00 0.00 2.71 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.30 1.12 7.81 63 R 8.12 3.78 0.00 1.81 2.06 0.00 3.10 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 64 L 7.78 3.87 0.00 1.71 1.58 0.71 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 65 T 8.10 3.98 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 66 E 8.06 3.90 0.00 2.00 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 2.27 2.27 0.00 67 S 7.84 4.01 0.00 3.85 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 0.00 68 A 8.17 4.26 1.58 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 0.00 0.00 69 A 8.50 4.12 1.60 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 70 R 7.94 3.54 0.00 1.79 2.04 0.00 3.14 0.00 0.00 3.14 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.85 0.00 71 K 7.48 4.03 0.00 1.58 1.56 0.00 1.28 0.00 0.00 1.43 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.30 1.07 7.81 72 Y 7.99 4.83 0.00 3.14 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 73 Y 8.97 4.08 0.00 2.97 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 74 Q 8.38 3.90 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.94 0.00 0.00 0.00 0.00 0.00 2.45 2.37 0.00 75 E 8.12 4.42 0.00 2.00 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 2.27 0.00 76 E 7.57 4.28 0.00 1.81 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 2.51 2.40 0.00 77 P 0.00 4.18 0.00 2.12 2.07 0.00 3.55 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.11 0.00 78 E 8.13 3.94 0.00 2.04 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 2.36 2.37 0.00 79 A 7.60 3.79 0.60 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 80 R 7.60 3.92 0.00 1.85 1.97 0.00 3.12 0.00 0.00 3.18 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.71 0.00 81 L 7.89 4.19 0.00 1.79 1.74 0.92 0.93 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 82 V 7.77 3.81 2.33 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 1.23 0.00 0.00 1.01 0.00 0.00 83 G 8.29 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 0.00 0.00 0.00 84 L 7.46 4.26 0.00 1.87 1.72 1.07 0.77 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 85 S 8.41 4.52 0.00 4.10 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 86 L 8.70 3.58 0.00 1.98 1.80 0.89 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 87 E 8.15 4.00 0.00 2.05 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 2.39 2.40 0.00 88 D 7.84 4.54 0.00 2.96 2.72 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 89 Y 8.06 4.09 0.00 2.72 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 90 L 7.67 3.54 0.00 1.64 1.57 0.89 0.64 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 91 K 7.26 3.82 0.00 1.74 1.77 0.00 1.63 0.00 0.00 1.58 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.44 7.81 92 R 7.41 3.95 0.00 1.96 1.91 0.00 3.16 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 1.71 1.59 0.00 93 M 7.61 3.88 0.00 1.52 1.21 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 2.46 2.71 0.00 94 L 7.54 4.07 0.00 1.63 1.63 0.84 0.80 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 95 S 7.31 4.12 0.00 3.91 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 96 D 8.64 4.55 0.00 2.70 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 97 N 8.92 4.23 0.00 3.02 3.00 0.00 0.00 6.66 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 98 E 8.01 4.31 0.00 2.07 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 2.43 2.41 0.00 99 W 9.08 4.45 0.00 3.34 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 0.00 100 G 8.53 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 0.00 0.00 0.00 101 S 7.21 4.36 0.00 3.95 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 0.00 102 T 8.38 3.72 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 103 L 7.67 3.84 0.00 1.77 1.68 0.87 0.91 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 0.00 104 E 7.84 4.06 0.00 1.84 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 0.00 2.57 2.58 0.00 105 A 7.53 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 S 7.27 3.73 0.00 3.71 3.86 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 0.00 107 M 7.79 3.97 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.75 0.00 108 L 8.63 3.99 0.00 1.69 1.72 1.12 1.07 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 0.00 109 A 8.21 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 0.00 110 K 7.53 3.87 0.00 1.51 1.41 0.00 0.97 0.00 0.00 1.30 0.00 0.00 2.13 0.00 0.00 2.27 0.00 0.00 0.00 0.00 1.27 1.19 7.81 111 E 8.16 4.05 0.00 2.16 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 2.49 2.43 0.00 112 M 8.50 4.33 0.00 2.02 2.18 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.56 0.00 113 G 7.73 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 0.00 114 I 7.71 4.77 1.88 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.76 0.99 0.00 0.00 115 T 8.33 4.76 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 1.13 0.00 0.00 116 I 8.68 4.89 1.93 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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E 9.03 4.08 0.00 2.02 1.98 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 2.30 2.37 0.00 129 A 7.39 4.71 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 0.00 130 G 9.05 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 I 8.40 5.08 1.78 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 1.08 0.74 0.41 0.00 0.00 132 K 9.07 4.47 0.00 0.79 0.84 0.00 0.98 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.97 0.82 7.81 133 F 9.30 5.06 0.00 2.85 2.89 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 0.00 134 G 8.79 4.20 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 0.00 135 D 8.23 4.33 0.00 2.61 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 0.00 136 G 7.97 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 0.00 0.00 0.00 137 D 7.79 4.73 0.00 2.97 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 0.00 138 V 8.17 3.77 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 0.10 0.00 0.00 1.27 0.00 0.00 139 F 8.25 4.27 0.00 3.31 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 T 8.01 4.44 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 1.29 0.00 0.00 141 A 7.19 4.33 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 0.00 142 V 9.10 3.94 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 0.97 0.00 0.00 0.94 0.00 0.00 143 N 8.75 5.28 0.00 2.80 2.81 0.00 0.00 6.88 6.74 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 0.00 144 L 9.32 5.24 0.00 1.68 1.75 0.62 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 145 L 8.88 5.16 0.00 1.77 1.55 1.01 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 146 H 9.53 5.13 0.00 3.09 3.22 0.00 5.77 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 S 8.37 4.66 0.00 3.78 3.82 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 0.00 148 G 9.08 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 0.00 149 Q 8.10 3.33 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.03 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 150 T 7.70 4.23 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 1.38 0.00 0.00 151 H 7.17 4.55 0.00 3.04 3.05 0.00 5.81 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 F 8.28 5.41 0.00 2.83 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 0.00 153 D 9.08 5.12 0.00 2.61 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 0.00 154 A 8.47 4.90 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.56 5.31 0.00 1.49 1.34 0.53 0.68 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 0.00 156 R 9.11 4.89 0.00 1.93 1.90 0.00 3.22 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 157 I 9.01 4.01 2.02 0.00 0.00 1.00 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 0.73 1.02 0.00 0.00 158 L 9.05 4.24 0.00 1.93 1.83 1.10 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 159 P 0.00 4.28 0.00 1.99 2.11 0.00 3.64 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 160 Q 7.77 3.91 0.00 1.75 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.86 0.00 0.00 0.00 0.00 0.00 1.16 1.37 0.00 161 F 7.85 4.61 0.00 3.13 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 * Residues marked with a * may have inaccurate shift predictions.