NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 40 K 4.2565 8.3149 119.9972 56.5074 34.7122 175.9703 41 I 3.8710 7.5583 119.5908 57.8627 38.0800 173.2385 42 S 3.9665 8.9478 118.0641 58.5344 63.4012 174.8910 43 A 3.4961 8.8245 128.3054 55.1535 17.8248 178.7595 44 S 4.0704 8.0951 111.2893 61.3656 62.3668 176.1580 45 R 3.8144 8.9955 122.6827 59.2438 29.8437 178.1990 46 K 3.8103 8.0939 117.8233 59.6398 31.9894 178.3655 47 L 4.0354 7.7311 119.6485 58.4309 41.9833 178.6429 48 Q 3.9080 7.8328 118.8993 59.1411 28.2934 178.2469 49 L 3.9291 8.4263 121.3694 58.3745 42.1616 178.7315 50 K 3.9170 8.7547 119.2580 59.7907 32.0229 178.9515 51 T 3.9534 8.9632 114.3961 65.3612 67.0016 175.9766 52 L 4.0880 8.0060 120.6629 57.2223 41.6849 178.7912 53 L 4.0203 9.2213 120.2969 57.3631 41.9107 178.5935 54 L 4.2135 8.2863 119.1018 56.9739 42.0198 178.2126 55 Q 3.9399 7.7403 118.6253 59.2104 29.0243 178.7029 56 I 3.9154 7.5837 119.1234 63.6175 38.2242 177.1918 57 A 3.9710 7.3457 121.5842 55.4565 18.0112 179.5199 58 K 3.9010 8.1714 117.7132 59.6388 31.9465 178.7272 59 Q 3.9680 8.2407 119.6049 59.0449 29.1678 177.8667 60 E 4.0905 7.9653 119.1757 59.1106 29.7848 178.4548 61 L 3.9012 8.2247 120.9532 58.5476 42.0819 178.8899 62 E 3.9834 7.9437 118.7266 58.8874 29.4490 178.8922 63 R 3.7929 8.1313 119.3404 59.4916 30.2053 177.9276 64 E 3.9226 8.3339 118.3348 59.1765 29.2971 178.6048 65 A 3.9538 7.7769 120.3807 55.3717 18.4969 179.5825 66 E 3.9167 8.1660 116.8041 59.2848 29.3091 179.5331 67 E 3.9085 8.3466 119.0450 59.2220 29.6306 178.6306 68 R 4.1478 8.1930 118.7812 60.1525 30.1151 178.4856 69 R 4.1039 8.3863 117.6261 59.2063 29.9755 179.5148 70 G 3.4885 7.8307 105.1499 47.7694 0.0000 175.2026 71 E 3.9303 8.9698 123.6738 58.8840 29.4876 178.9026 72 K 3.9978 8.5519 119.8508 59.6367 32.3057 178.9799 73 G 3.6979 8.0491 105.9031 47.8205 0.0000 175.7614 74 R 3.8853 8.2074 119.5623 59.2815 30.2953 178.7609 75 A 4.1072 8.1198 119.2700 54.6448 18.6208 178.7652 76 L 4.3436 7.9718 116.2764 55.6615 41.9932 178.7202 77 S 4.0605 8.0869 113.5940 61.8428 62.0700 175.6452 78 T 4.0283 8.0148 117.6535 67.0698 67.9489 176.4909 79 R 3.9412 7.8943 117.6848 59.0994 30.3213 178.5281 80 A 4.2952 7.8502 119.0626 53.0612 18.3515 177.0970 81 Q 3.8919 7.2720 118.0083 55.4459 29.0598 174.3199 82 P 4.3475 0.0000 0.0000 62.7857 32.0408 175.8132 83 L 4.1825 8.2479 120.3373 54.0968 42.3510 176.2743 84 E 4.4429 8.6743 124.9825 54.7836 29.7339 174.8576 85 L 4.7286 8.1984 123.9634 54.9675 42.1013 177.7503 86 A 3.9567 8.5093 123.4066 55.7451 18.0372 179.8684 87 G 4.0465 7.7744 101.7598 45.7281 0.0000 175.1206 88 L 3.9840 7.4444 123.5684 53.8849 42.9501 175.4509 89 G 4.1118 8.3026 104.2140 43.5786 0.0000 174.0044 90 F 3.8270 9.3760 125.0291 61.2505 39.3470 177.3875 91 A 4.0644 8.1976 119.5050 55.3174 18.3158 179.0885 92 E 3.8735 8.1413 116.0531 59.7098 29.6710 179.2895 93 L 3.9225 8.3710 119.0604 58.1774 41.6091 179.7930 94 Q 3.7027 7.6011 117.1041 58.8262 28.6313 177.7050 95 D 4.3100 7.7591 118.4669 57.9681 41.1165 178.1705 96 L 3.8565 8.4297 120.3960 58.2911 42.1951 178.5406 97 A 3.9488 8.6064 120.6641 55.5230 18.4237 179.6932 98 R 3.8603 8.4400 117.3891 59.4765 29.9281 178.7686 99 Q 3.9946 7.9882 117.2130 58.9131 29.0493 178.4172 100 L 4.1152 8.2338 120.3370 58.0820 41.8197 178.7895 101 H 4.0190 8.1140 117.5093 59.5445 29.8464 176.9840 102 A 4.2126 7.9829 121.4434 54.4659 18.0678 179.4145 103 R 4.0449 8.3322 118.1124 59.1515 30.2459 178.5481 104 V 3.6302 7.7520 117.5534 65.9237 31.5321 177.6852 105 D 4.2814 7.7060 117.3964 57.2143 40.7795 178.4821 106 K 3.9174 7.6006 118.7193 59.7797 32.1078 178.4395 107 V 3.6958 8.1979 118.8053 66.1244 30.7556 177.0501 108 D 4.2738 8.5522 117.5942 57.5963 41.0354 178.5384 109 E 4.1346 8.1159 118.9546 59.5001 29.5944 178.4591 110 E 4.0183 8.5983 118.9334 59.5157 29.5258 179.5338 111 R 3.8898 8.6404 119.0275 59.6747 30.1655 177.3956 112 Y 4.0995 9.3035 119.5704 61.1111 38.6880 177.7599 113 D 4.2278 8.7306 119.7052 57.7917 41.2048 179.5051 114 I 3.7014 7.4855 118.5006 63.6419 37.8900 177.5449 115 E 3.8255 7.9940 120.4253 58.8897 29.4482 178.5118 116 A 3.7365 7.6436 121.0246 55.1166 18.2326 179.3202 117 K 3.7358 7.5090 116.5363 59.9002 31.9111 178.6601 118 V 3.7509 7.6088 117.9447 65.7158 31.3931 178.3364 119 T 3.8692 7.8765 115.8164 66.5554 68.4602 176.5471 120 K 3.8692 8.0008 120.3632 59.8456 31.9959 179.0379 121 N 4.3578 7.7758 115.3526 56.2272 38.5005 177.3257 122 I 3.6894 7.6484 121.5506 64.6213 37.1574 178.4620 123 T 3.7936 7.8124 109.8618 64.7767 68.8250 175.6355 124 E 3.8744 7.9725 122.9833 58.9204 29.5613 179.0698 125 I 3.6988 7.9861 119.2270 64.2456 37.1539 178.0769 126 A 3.9692 7.7983 121.3439 55.5020 18.2075 179.1530 127 D 4.3046 8.3792 117.5048 57.7134 40.9581 178.9591 128 L 4.0477 8.4873 119.5184 58.4452 41.4757 179.9749 129 T 4.0944 8.4063 114.8738 66.2703 68.5753 176.4006 130 Q 4.1118 8.1484 121.7810 59.2323 29.3055 177.3043 131 K 3.7770 8.6747 120.6874 60.1978 30.5970 178.3655 132 I 3.6613 8.3854 119.8448 64.5286 37.0195 178.0077 133 F 4.3565 8.3346 121.2436 61.5406 39.1033 177.0807 134 D 4.2008 7.9151 116.8379 57.0882 40.5776 178.4630 135 L 4.1113 7.1398 118.7665 59.1382 42.2110 178.1029 136 R 4.0416 7.4164 120.7342 55.6615 31.0643 174.9745 *148 R 4.0261 8.3218 114.4399 56.3455 31.0954 175.0927 149 I 4.4015 8.0020 121.6363 58.0933 39.1256 174.6363 150 S 4.2604 8.3780 123.5344 57.9479 64.2642 174.4564 151 A 3.9750 8.5284 128.9242 55.4595 18.6739 179.3762 152 D 4.4536 8.0814 115.2253 56.0971 40.8785 178.0511 153 A 4.3303 7.6380 121.4908 54.2072 19.3594 179.0299 154 M 3.8909 8.0299 116.8201 59.0660 32.0003 177.9900 155 M 3.9619 8.3273 119.2307 58.6494 32.2137 178.2141 156 Q 4.0167 7.6165 117.7450 59.4484 28.8939 178.6005 157 A 3.9495 7.6330 119.7026 55.4790 18.5175 179.3804 158 L 4.1280 8.1905 116.1544 57.2123 42.1300 178.8610 159 L 4.7132 8.9803 117.0632 54.4425 42.1700 177.9599 160 G 3.7346 8.0938 105.9947 45.3306 0.0000 175.2921 161 A 3.9896 7.4816 123.4204 55.6238 18.3401 179.8184 162 R 3.8381 8.0080 114.8625 59.4777 30.2129 179.1638 163 A 3.9741 7.8931 119.7195 55.0809 18.2906 179.1556 164 K 3.8350 8.3576 116.0747 60.2962 32.4423 178.7907 165 E 4.2603 8.4166 119.6594 58.9788 29.4736 179.4480 166 S 4.0974 8.2754 114.7465 62.0180 62.9276 177.3288 167 L 3.9778 8.6701 121.6422 58.0163 41.2126 179.0757 168 D 4.2438 8.1601 118.8813 57.3269 40.7036 178.8890 169 L 3.9977 7.8115 120.0867 58.3297 42.3177 178.8300 170 R 3.8849 8.1632 118.3896 59.2804 29.9912 178.3381 171 A 3.9868 8.6812 121.5075 55.3006 18.3111 179.1136 172 H 4.1574 8.5971 117.0918 59.4256 29.9288 177.4962 173 L 3.9320 8.0771 120.7948 57.6518 41.4072 179.3334 174 K 3.8435 8.0102 118.5083 59.8135 32.0638 178.8351 175 Q 3.9792 7.9341 118.8982 59.4207 28.8549 178.7459 176 V 3.7820 7.6472 118.8079 65.5978 31.4372 178.2606 177 K 3.9243 8.3833 118.9096 59.2498 32.0826 178.6987 178 K 3.7924 8.3372 120.2150 60.1502 31.8334 178.4465 179 E 4.0304 8.4526 117.4377 59.5436 29.6423 178.9391 180 D 4.5072 8.3469 119.1812 57.4460 40.7149 178.8579 181 T 3.9338 8.2818 116.9640 66.3896 68.4593 176.2505 182 E 3.9717 8.0474 120.7104 58.6703 29.3540 179.0103 183 K 3.9281 7.8795 119.2047 59.5313 32.3510 178.6029 184 E 4.0340 7.8802 117.9074 59.7747 28.9761 178.9306 185 N 4.3685 8.0015 117.0590 56.5042 38.8560 176.6536 186 R 3.9465 7.2749 116.7826 59.9915 30.3340 178.4716 187 E 4.1449 8.0345 116.0797 58.8296 29.7050 178.8718 188 V 3.7023 7.0766 117.0087 64.4656 31.9662 177.2510 189 G 4.2203 7.4858 102.9880 46.1278 0.0000 172.7816 190 D 4.8993 8.0322 118.2788 52.7715 38.4907 176.3342 191 W 4.5017 8.2452 128.0865 57.3017 30.7622 174.3706 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 40 K 8.31 4.26 0.00 1.88 2.02 0.00 1.53 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.47 7.81 41 I 7.56 3.87 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 1.47 0.17 0.91 0.00 0.00 42 S 8.95 3.97 0.00 3.99 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 43 A 8.82 3.50 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 44 S 8.10 4.07 0.00 3.90 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 45 R 9.00 3.81 0.00 1.83 2.24 0.00 3.23 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 46 K 8.09 3.81 0.00 1.99 1.88 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.54 1.53 7.81 47 L 7.73 4.04 0.00 1.75 1.84 0.92 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 48 Q 7.83 3.91 0.00 2.18 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 49 L 8.43 3.93 0.00 1.89 1.76 0.92 0.68 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 50 K 8.75 3.92 0.00 1.97 1.81 0.00 1.74 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.60 7.81 51 T 8.96 3.95 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 1.28 0.00 0.00 52 L 8.01 4.09 0.00 1.94 1.68 0.94 0.34 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 53 L 9.22 4.02 0.00 1.89 1.80 0.92 0.61 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 54 L 8.29 4.21 0.00 1.68 1.68 0.92 0.66 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 55 Q 7.74 3.94 0.00 2.20 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.92 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 56 I 7.58 3.92 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 1.45 0.97 0.95 0.00 0.00 57 A 7.35 3.97 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 58 K 8.17 3.90 0.00 1.89 1.94 0.00 1.53 0.00 0.00 1.57 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.49 7.81 59 Q 8.24 3.97 0.00 2.17 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.74 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 60 E 7.97 4.09 0.00 2.19 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 2.40 2.56 0.00 61 L 8.22 3.90 0.00 1.87 1.80 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 62 E 7.94 3.98 0.00 2.08 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 2.30 2.36 0.00 63 R 8.13 3.79 0.00 1.90 2.12 0.00 3.16 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 64 E 8.33 3.92 0.00 2.07 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 2.38 2.39 0.00 65 A 7.78 3.95 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 66 E 8.17 3.92 0.00 2.12 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 2.33 2.49 0.00 67 E 8.35 3.91 0.00 2.16 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 2.32 2.46 0.00 68 R 8.19 4.15 0.00 1.93 2.15 0.00 3.11 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 69 R 8.39 4.10 0.00 1.88 1.98 0.00 3.17 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.98 0.00 70 G 7.83 3.49 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 0.00 71 E 8.97 3.93 0.00 2.03 2.18 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 2.31 2.33 0.00 72 K 8.55 4.00 0.00 1.82 1.94 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.45 7.81 73 G 8.05 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.21 3.89 0.00 1.96 2.00 0.00 3.18 0.00 0.00 3.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.89 0.00 75 A 8.12 4.11 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 L 7.97 4.34 0.00 1.70 1.71 0.92 0.64 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 77 S 8.09 4.06 0.00 3.99 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 78 T 8.01 4.03 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 79 R 7.89 3.94 0.00 1.99 1.99 0.00 3.37 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 80 A 7.85 4.30 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 81 Q 7.27 3.89 0.00 2.09 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 82 P 0.00 4.35 0.00 2.07 2.00 0.00 3.72 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 83 L 8.25 4.18 0.00 1.63 1.59 0.91 0.85 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 84 E 8.67 4.44 0.00 1.91 1.87 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 2.21 2.27 0.00 85 L 8.20 4.73 0.00 1.83 1.77 0.91 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 86 A 8.51 3.96 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 87 G 7.77 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 L 7.44 3.98 0.00 1.73 1.58 0.91 0.94 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 89 G 8.30 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 90 F 9.38 3.83 0.00 3.20 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 91 A 8.20 4.06 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 92 E 8.14 3.87 0.00 2.21 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 2.47 0.00 93 L 8.37 3.92 0.00 1.57 1.55 0.88 1.01 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 94 Q 7.60 3.70 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.66 0.00 0.00 0.00 0.00 0.00 1.69 1.92 0.00 95 D 7.76 4.31 0.00 2.71 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 L 8.43 3.86 0.00 1.71 1.81 0.90 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 97 A 8.61 3.95 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 98 R 8.44 3.86 0.00 1.94 2.15 0.00 3.08 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 99 Q 7.99 3.99 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.72 0.00 0.00 0.00 0.00 0.00 2.39 2.51 0.00 100 L 8.23 4.12 0.00 1.66 1.71 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 101 H 8.11 4.02 0.00 3.31 3.45 0.00 5.59 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 0.00 102 A 7.98 4.21 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 R 8.33 4.04 0.00 1.99 2.10 0.00 3.16 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 104 V 7.75 3.63 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 1.06 0.00 0.00 0.95 0.00 0.00 105 D 7.71 4.28 0.00 3.07 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 0.00 106 K 7.60 3.92 0.00 1.89 1.81 0.00 1.65 0.00 0.00 1.58 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.46 7.81 107 V 8.20 3.70 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 0.94 0.00 0.00 0.98 0.00 0.00 108 D 8.55 4.27 0.00 2.88 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 0.00 109 E 8.12 4.13 0.00 2.30 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 2.39 2.37 0.00 110 E 8.60 4.02 0.00 2.13 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 2.35 2.59 0.00 111 R 8.64 3.89 0.00 1.86 2.18 0.00 3.14 0.00 0.00 3.12 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 112 Y 9.30 4.10 0.00 3.12 3.20 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 0.00 113 D 8.73 4.23 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 0.00 114 I 7.49 3.70 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 1.36 1.31 1.03 0.00 0.00 115 E 7.99 3.83 0.00 2.02 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 2.18 2.27 0.00 116 A 7.64 3.74 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 K 7.51 3.74 0.00 1.87 1.91 0.00 1.77 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.43 7.81 118 V 7.61 3.75 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 0.95 0.00 0.00 1.00 0.00 0.00 119 T 7.88 3.87 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 120 K 8.00 3.87 0.00 1.92 1.86 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.69 7.81 121 N 7.78 4.36 0.00 2.88 2.85 0.00 0.00 7.00 7.20 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 0.00 122 I 7.65 3.69 2.01 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 1.79 1.30 0.90 0.00 0.00 123 T 7.81 3.79 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 1.27 0.00 0.00 124 E 7.97 3.87 0.00 2.09 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 2.32 2.39 0.00 125 I 7.99 3.70 2.00 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 1.45 0.87 0.91 0.00 0.00 126 A 7.80 3.97 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 0.00 127 D 8.38 4.30 0.00 2.93 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 L 8.49 4.05 0.00 1.64 1.74 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 129 T 8.41 4.09 4.41 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 1.20 0.00 0.00 130 Q 8.15 4.11 0.00 2.29 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.68 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 131 K 8.67 3.78 0.00 1.98 1.98 0.00 1.62 0.00 0.00 1.66 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.58 7.81 132 I 8.39 3.66 2.12 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 1.43 1.00 0.97 0.00 0.00 133 F 8.33 4.36 0.00 3.11 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 D 7.92 4.20 0.00 2.85 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 0.00 135 L 7.14 4.11 0.00 1.68 1.69 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 136 R 7.42 4.04 0.00 1.78 1.83 0.00 3.33 0.00 0.00 3.19 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.57 0.00 *148 R 8.32 4.03 0.00 1.87 1.90 0.00 3.20 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 149 I 8.00 4.40 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 1.41 0.88 0.91 0.00 0.00 150 S 8.38 4.26 0.00 3.90 3.77 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 0.00 151 A 8.53 3.97 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 0.00 152 D 8.08 4.45 0.00 2.70 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 0.00 153 A 7.64 4.33 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 0.00 154 M 8.03 3.89 0.00 2.23 2.06 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.58 0.00 155 M 8.33 3.96 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.93 0.00 156 Q 7.62 4.02 0.00 2.44 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 157 A 7.63 3.95 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 0.00 158 L 8.19 4.13 0.00 1.60 1.74 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 159 L 8.98 4.71 0.00 1.67 1.66 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 160 G 8.09 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 0.00 0.00 0.00 161 A 7.48 3.99 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 0.00 162 R 8.01 3.84 0.00 1.83 2.00 0.00 3.30 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.65 0.00 163 A 7.89 3.97 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 0.00 164 K 8.36 3.83 0.00 1.88 1.91 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.65 1.59 7.81 165 E 8.42 4.26 0.00 2.01 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 2.33 2.42 0.00 166 S 8.28 4.10 0.00 4.10 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 0.00 167 L 8.67 3.98 0.00 1.91 1.72 0.94 1.28 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 0.00 168 D 8.16 4.24 0.00 2.78 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 L 7.81 4.00 0.00 1.77 1.87 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 170 R 8.16 3.88 0.00 1.93 2.05 0.00 3.15 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 171 A 8.68 3.99 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 0.00 172 H 8.60 4.16 0.00 3.24 3.46 0.00 5.61 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 0.00 173 L 8.08 3.93 0.00 1.73 1.69 0.91 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 174 K 8.01 3.84 0.00 2.09 1.89 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.73 7.81 175 Q 7.93 3.98 0.00 2.20 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.67 0.00 176 V 7.65 3.78 2.22 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 1.05 0.00 0.00 0.95 0.00 0.00 177 K 8.38 3.92 0.00 1.97 1.84 0.00 1.76 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.59 7.81 178 K 8.34 3.79 0.00 1.92 2.00 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.52 7.81 179 E 8.45 4.03 0.00 1.94 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 2.36 2.65 0.00 180 D 8.35 4.51 0.00 3.04 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 0.00 181 T 8.28 3.93 4.47 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 1.24 0.00 0.00 182 E 8.05 3.97 0.00 2.07 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 2.31 2.36 0.00 183 K 7.88 3.93 0.00 2.15 1.85 0.00 1.82 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.49 7.81 184 E 7.88 4.03 0.00 2.15 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 0.00 2.64 2.35 0.00 185 N 8.00 4.37 0.00 2.89 3.04 0.00 0.00 7.14 7.79 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 0.00 186 R 7.27 3.95 0.00 1.86 2.02 0.00 3.21 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 187 E 8.03 4.14 0.00 1.94 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 2.31 2.36 0.00 188 V 7.08 3.70 2.22 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 0.83 0.00 0.00 1.00 0.00 0.00 189 G 7.49 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 0.00 0.00 0.00 0.00 190 D 8.03 4.90 0.00 2.89 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 0.00 0.00 0.00 191 W 8.25 4.50 0.00 3.24 3.20 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 * Residues marked with a * may have inaccurate shift predictions.