NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 31 I 4.1426 7.8827 121.4007 61.1485 39.3819 173.9776 32 V 4.1886 8.2705 126.1638 61.6084 31.6959 174.2762 33 L 4.3400 9.1548 129.0757 54.0063 43.1050 176.3359 34 E 4.0480 8.6131 122.3094 55.8395 29.9818 174.9399 35 P 4.4916 0.0000 0.0000 63.0688 32.4922 175.5429 36 I 4.2741 8.4829 124.2599 59.9449 39.1534 174.3895 37 Y 4.5530 8.5173 125.6392 56.8967 38.5436 176.1021 38 W 4.4960 9.4464 135.0000 55.7926 29.4256 174.5426 39 N 5.0426 7.9605 121.1662 52.0144 41.4638 175.1997 40 S 4.2641 8.9110 117.8810 59.9005 63.5973 175.5124 41 S 4.1863 7.9292 114.7458 59.7961 63.5650 173.5430 42 N 4.4374 8.2275 121.2457 53.4934 38.2284 175.5957 43 S 4.3205 8.5903 122.8318 60.8657 63.1561 176.1178 44 K 3.9412 8.1377 119.3841 58.6929 31.7901 177.5493 45 F 4.4764 7.3978 117.3222 56.4309 37.3994 174.5888 46 L 4.2460 8.3847 126.0196 53.3965 42.2179 177.0046 47 P 4.2306 0.0000 0.0000 65.7164 31.4195 177.9092 48 G 3.7683 8.2193 106.9594 47.3792 0.0000 174.2073 49 Q 4.4735 7.9775 114.4471 54.4426 30.6985 177.4307 50 G 3.9600 8.2159 108.1684 45.3633 0.0000 172.0240 51 L 4.6977 8.8676 124.6982 53.8130 43.3787 176.7962 52 V 4.8153 8.3305 126.9648 61.1243 33.2363 174.5986 53 L 4.8187 8.8255 127.1532 54.0014 44.3528 175.1197 54 Y 5.0722 8.3306 115.8309 54.7779 37.0977 173.7479 55 P 4.1882 0.0000 0.0000 62.6845 33.1878 176.8879 56 Q 4.7878 9.0167 121.0967 53.9662 31.4089 175.4277 57 I 3.8083 8.2093 122.5690 63.3586 37.5151 176.7274 58 G 3.9988 9.3900 114.3999 45.2105 0.0000 173.4151 59 D 4.9069 8.0992 119.5757 54.2176 42.4972 175.4538 60 K 5.1102 8.9356 118.6537 54.8348 36.6341 175.3965 61 L 4.8850 8.7215 124.1688 53.7803 45.9611 174.3128 62 D 5.2761 8.6604 125.1277 52.7617 43.6515 175.1450 63 I 4.9625 8.8160 123.3952 59.6156 40.4590 174.6163 64 I 5.0588 8.7628 127.5334 59.6979 41.2260 173.8612 65 C 5.3170 9.2859 125.2521 54.9034 41.3886 171.4443 66 P 5.3371 0.0000 0.0000 62.1532 31.7409 176.6192 67 K 4.5543 9.3557 123.2654 57.0395 33.2767 176.9272 68 V 3.7828 8.7024 121.9407 62.2347 31.8007 174.2261 69 D 4.5521 8.7277 120.1005 55.8257 43.8833 177.0438 *73 V 4.1020 7.7634 118.7154 62.3095 33.2015 175.5421 74 G 4.2535 7.6408 104.4154 43.4012 0.0000 171.3365 75 Q 4.4109 8.2977 117.3529 54.6281 29.9676 175.0263 76 Y 4.0983 8.4086 119.7035 57.7444 39.2529 174.8504 77 E 4.4324 7.7160 125.9897 54.8115 30.6128 174.8976 78 Y 4.6211 8.3250 122.4136 57.4235 39.7315 174.4468 79 Y 4.9740 8.7311 120.0139 56.6198 43.1269 173.8313 80 K 4.8684 8.9399 122.9691 54.7709 34.1266 175.9841 81 V 4.3533 8.2000 124.8165 61.1380 34.3337 173.8786 82 Y 4.9026 8.8023 124.1642 56.2861 42.3150 173.9596 83 M 4.9434 8.6724 122.5453 55.1820 33.2246 175.4438 84 V 4.7740 8.8230 118.8432 59.3973 36.5409 174.7766 85 D 4.7151 8.8983 121.6586 52.2334 40.7056 177.4325 86 K 2.4800 8.4041 119.7753 59.4874 31.7353 178.1355 87 D 4.2425 7.8770 118.2440 57.5203 40.7867 178.7055 88 Q 3.8876 8.7400 118.6158 58.7502 28.5450 178.6931 89 A 3.9770 7.8440 121.6820 55.4281 18.2344 179.4420 90 D 4.2894 8.0405 116.2855 57.0919 40.9912 178.4127 91 R 4.2377 8.0925 115.7549 55.1779 32.0208 175.4821 92 C 4.3969 7.7263 116.9654 58.1069 38.2139 172.3456 93 T 5.3242 7.9934 107.6858 59.8067 71.8590 175.2049 94 I 4.4347 8.3347 116.9268 59.1131 40.3887 174.8095 95 K 4.5860 8.6543 122.9159 54.2272 34.2741 177.6011 96 K 3.7515 8.7743 121.8841 60.2510 32.3057 178.1917 97 E 3.9902 7.9315 117.2245 58.3324 29.6491 176.9562 98 N 4.4493 7.7317 116.4016 52.9344 39.2763 174.4752 99 T 4.6883 7.8907 117.1851 60.9335 71.3119 172.6932 100 P 3.5379 0.0000 0.0000 62.2188 31.8961 176.2547 101 L 3.8794 8.1077 121.7056 56.8920 41.5718 176.9460 102 L 4.5257 7.1870 118.6347 52.8149 45.9310 175.1684 103 N 4.8445 8.6869 121.8462 52.0597 39.3273 173.2735 104 C 4.8245 9.5891 120.8828 54.7798 40.3722 173.6509 105 A 5.1647 8.2318 128.4999 51.7551 19.8444 177.0970 106 K 4.4010 7.9025 119.9243 54.7288 33.0845 175.0467 107 P 2.9700 0.0000 0.0000 64.1869 31.5434 177.6017 108 D 4.8357 7.6965 115.1653 52.6080 39.5783 175.3786 109 Q 4.5145 7.7116 119.9488 54.8441 31.8815 174.3562 110 D 4.8381 8.9914 126.6112 54.5591 41.9428 175.5749 111 I 4.5853 8.7629 123.5127 59.3586 39.9227 174.4353 112 K 5.0608 8.8134 127.7374 54.4482 35.1174 174.6056 113 F 5.1261 9.3138 129.1575 56.7635 42.0779 173.6150 114 T 4.6949 8.2359 122.4088 61.7101 70.5071 173.5832 115 I 3.9956 8.2148 127.4445 59.0656 39.7874 174.3681 116 K 4.5199 8.1394 127.4506 54.7453 34.1463 176.5312 117 F 4.2891 8.8632 127.1398 56.5645 38.6007 174.3258 118 Q 4.5928 8.0453 120.9587 55.5291 31.4589 174.8802 119 E 4.3144 8.6172 116.9579 57.4611 29.9559 177.1905 120 F 5.1672 7.8416 116.8269 56.2670 40.6787 174.7795 121 S 4.5952 7.9266 115.9754 57.7451 64.7267 173.8271 122 P 4.5685 0.0000 0.0000 62.7669 30.9104 176.1305 123 N 4.5866 8.2573 118.6449 53.5914 39.2119 174.8138 124 L 4.3616 8.3990 123.7178 54.6389 42.2932 176.8786 125 W 4.5374 8.5566 118.3172 56.4895 29.3876 177.1740 126 G 3.9595 8.3521 106.4639 45.4909 0.0000 173.2028 127 L 4.3087 7.9395 119.5725 53.8654 42.2034 175.7349 128 E 4.4827 8.1146 119.8053 55.3629 33.5197 173.1684 129 F 5.0105 8.4568 117.2906 55.8745 41.4968 175.3547 130 Q 4.9655 9.3625 121.5942 53.4550 31.3255 175.6376 131 K 4.2518 8.7601 120.3529 58.2077 33.1759 176.3232 132 N 4.0336 8.7525 115.5146 54.4184 36.8435 174.3624 133 K 4.7618 7.6233 113.1290 54.7643 36.2887 175.1018 134 D 5.2354 8.3457 122.0144 53.0414 43.3750 175.0644 135 Y 4.7197 8.6289 119.3319 56.3513 42.5148 173.9944 136 Y 5.3483 8.7820 118.6180 56.3806 42.2267 174.4642 137 I 5.3092 9.2525 124.2528 59.6542 40.9728 174.6476 138 I 5.4715 9.0005 119.3739 59.4622 42.0673 173.7964 139 S 5.1100 8.7805 116.1382 56.7995 65.5465 173.9208 140 T 4.8657 8.5391 114.8493 60.8620 70.1048 174.4000 141 S 4.6891 8.3080 119.0016 59.3616 63.9037 174.4098 142 N 4.7651 8.7941 118.2644 52.6176 37.7108 175.0979 143 G 3.7121 8.4008 108.6533 45.8311 0.0000 173.9668 144 S 4.8192 8.1048 114.1215 56.6638 64.8511 174.8040 145 L 3.1233 8.3202 123.9506 58.2113 41.6988 179.2981 146 E 3.9599 7.4981 115.4803 58.4652 29.7526 177.8577 147 G 4.0427 7.7084 106.5579 44.6032 0.0000 175.0193 148 L 3.9183 7.6748 123.3317 57.6807 42.0044 177.7353 149 D 4.8978 7.8320 114.5626 53.8043 41.0250 176.0314 150 N 4.3754 7.8862 118.2267 54.1348 39.0770 175.5725 151 Q 4.5434 8.6147 119.4688 55.7649 30.1028 174.8098 152 E 5.1169 7.7086 117.9308 55.6659 34.1528 173.5656 153 G 3.9177 9.1116 116.1987 44.3917 0.0000 177.9624 154 G 4.2717 8.8908 116.3569 44.7515 0.0000 174.4468 155 V 3.6896 8.2667 110.4955 63.7229 32.0349 177.6321 156 C 4.3058 8.3866 120.4573 59.6285 41.6540 175.4123 157 Q 4.0451 8.1714 119.9467 58.8191 28.8714 177.5297 158 T 4.1072 8.1581 107.8316 63.6655 69.2006 175.8282 159 R 4.5290 7.4190 116.5729 54.4789 32.6548 174.2885 160 A 3.9940 7.7422 119.4351 52.4870 15.8485 177.8788 161 M 3.5171 7.6464 121.4813 54.4721 31.1724 176.3106 162 K 5.3661 7.9814 120.4069 55.2675 37.1298 175.3025 163 I 5.1439 9.4074 122.7972 59.5894 40.5870 174.0888 164 L 4.7887 9.0150 129.4911 53.6944 44.1055 174.9237 165 M 4.6197 9.0078 127.6539 53.9485 33.7666 175.4408 166 K 4.5630 8.4267 126.0410 53.7957 31.9100 175.3897 167 V 3.6946 8.6891 124.5150 63.4920 32.2322 176.7456 168 G 3.9704 9.2561 114.9756 44.5444 0.0000 172.7891 169 H 4.9316 9.6355 115.5209 53.7733 31.3315 174.2968 170 H 4.2578 8.9317 119.0394 56.0044 30.1628 174.4884 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 31 I 7.88 4.14 1.98 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 1.21 0.54 0.90 0.00 0.00 32 V 8.27 4.19 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 0.73 0.00 0.00 0.92 0.00 0.00 33 L 9.15 4.34 0.00 1.58 1.56 0.84 0.89 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 34 E 8.61 4.05 0.00 1.97 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 35 P 0.00 4.49 0.00 1.74 1.78 0.00 3.73 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 36 I 8.48 4.27 1.90 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 1.15 0.76 0.93 0.00 0.00 37 Y 8.52 4.55 0.00 2.98 3.04 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 38 W 9.45 4.50 0.00 3.46 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 39 N 7.96 5.04 0.00 2.93 2.67 0.00 0.00 6.84 7.63 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 40 S 8.91 4.26 0.00 4.03 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 41 S 7.93 4.19 0.00 4.01 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 42 N 8.23 4.44 0.00 2.92 2.99 0.00 0.00 7.05 7.35 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 43 S 8.59 4.32 0.00 3.88 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 44 K 8.14 3.94 0.00 1.51 1.59 0.00 1.57 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.39 7.81 45 F 7.40 4.48 0.00 2.99 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 46 L 8.38 4.25 0.00 1.88 1.60 0.93 0.70 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 47 P 0.00 4.23 0.00 2.18 2.21 0.00 3.77 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 2.00 1.99 0.00 48 G 8.22 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 0.00 0.00 0.00 49 Q 7.98 4.47 0.00 2.17 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.78 0.00 0.00 0.00 0.00 0.00 2.24 2.34 0.00 50 G 8.22 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 51 L 8.87 4.70 0.00 1.31 1.60 0.32 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 52 V 8.33 4.82 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 0.66 0.00 0.00 0.92 0.00 0.00 53 L 8.83 4.82 0.00 1.61 1.63 0.85 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 8.33 5.07 0.00 2.83 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 55 P 0.00 4.19 0.00 0.49 1.22 0.00 3.49 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.40 0.00 56 Q 9.02 4.79 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.99 0.00 0.00 0.00 0.00 0.00 2.24 2.42 0.00 57 I 8.21 3.81 1.89 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 1.39 0.78 1.01 0.00 0.00 58 G 9.39 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 0.00 0.00 0.00 59 D 8.10 4.91 0.00 2.73 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 60 K 8.94 5.11 0.00 1.63 1.57 0.00 1.60 0.00 0.00 1.55 0.00 0.00 2.70 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.26 1.32 7.81 61 L 8.72 4.88 0.00 1.84 1.42 0.91 1.59 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 62 D 8.66 5.28 0.00 2.52 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 63 I 8.82 4.96 2.02 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.88 1.11 0.00 0.00 64 I 8.76 5.06 1.47 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 1.21 0.55 1.08 0.00 0.00 65 C 9.29 5.32 0.00 3.00 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 66 P 0.00 5.34 0.00 2.17 2.22 0.00 3.97 0.00 0.00 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.13 0.00 67 K 9.36 4.55 0.00 1.97 2.06 0.00 1.62 0.00 0.00 1.79 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.66 1.44 7.81 68 V 8.70 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 0.72 0.00 0.00 1.06 0.00 0.00 69 D 8.73 4.55 0.00 2.65 2.61 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 *73 V 7.76 4.10 2.09 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 0.78 0.00 0.00 0.93 0.00 0.00 74 G 7.64 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 75 Q 8.30 4.41 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.87 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 76 Y 8.41 4.10 0.00 2.76 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 77 E 7.72 4.43 0.00 1.97 1.64 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 2.19 2.26 0.00 78 Y 8.32 4.62 0.00 2.85 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 79 Y 8.73 4.97 0.00 2.89 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 80 K 8.94 4.87 0.00 1.74 1.50 0.00 1.85 0.00 0.00 1.66 0.00 0.00 2.66 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.39 7.81 81 V 8.20 4.35 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 -0.23 0.00 0.00 -0.24 0.00 0.00 82 Y 8.80 4.90 0.00 2.80 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 83 M 8.67 4.94 0.00 2.10 2.07 0.00 0.00 0.00 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.96 2.75 0.00 84 V 8.82 4.77 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 1.04 0.00 0.00 85 D 8.90 4.72 0.00 2.88 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 K 8.40 2.48 0.00 1.42 1.62 0.00 1.76 0.00 0.00 1.77 0.00 0.00 2.96 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.42 1.14 7.81 87 D 7.88 4.24 0.00 2.77 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 88 Q 8.74 3.89 0.00 2.15 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.30 2.46 0.00 89 A 7.84 3.98 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 90 D 8.04 4.29 0.00 2.73 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 91 R 8.09 4.24 0.00 1.77 1.93 0.00 3.34 0.00 0.00 3.19 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 92 C 7.73 4.40 0.00 3.05 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 T 7.99 5.32 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 1.25 0.00 0.00 94 I 8.33 4.43 1.17 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.48 0.61 0.00 0.00 95 K 8.65 4.59 0.00 1.69 1.82 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.28 1.25 7.81 96 K 8.77 3.75 0.00 1.82 1.93 0.00 1.56 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.44 7.81 97 E 7.93 3.99 0.00 1.83 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 2.26 2.34 0.00 98 N 7.73 4.45 0.00 2.48 2.64 0.00 0.00 6.77 7.99 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 99 T 7.89 4.69 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 1.25 0.00 0.00 100 P 0.00 3.54 0.00 1.70 1.15 0.00 3.59 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 1.85 1.81 0.00 101 L 8.11 3.88 0.00 0.33 1.25 0.61 0.86 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 0.00 102 L 7.19 4.53 0.00 1.23 1.36 0.77 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 103 N 8.69 4.84 0.00 2.60 2.66 0.00 0.00 7.10 7.65 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 0.00 104 C 9.59 4.82 0.00 3.22 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 0.00 105 A 8.23 5.16 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 0.00 106 K 7.90 4.40 0.00 1.75 1.64 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.41 1.44 7.81 107 P 0.00 2.97 0.00 1.87 1.62 0.00 3.34 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.33 0.00 108 D 7.70 4.84 0.00 2.70 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 0.00 109 Q 7.71 4.51 0.00 2.02 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.54 6.86 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 110 D 8.99 4.84 0.00 2.68 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 0.00 111 I 8.76 4.59 1.97 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.08 0.95 0.00 0.00 112 K 8.81 5.06 0.00 1.75 1.67 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.29 1.37 7.81 113 F 9.31 5.13 0.00 2.97 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 T 8.24 4.69 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 1.08 0.00 0.00 115 I 8.21 4.00 1.18 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 -0.18 -0.50 0.00 0.00 116 K 8.14 4.52 0.00 1.65 1.60 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.29 1.57 7.81 117 F 8.86 4.29 0.00 3.04 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 0.00 118 Q 8.05 4.59 0.00 2.02 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.88 0.00 0.00 0.00 0.00 0.00 2.41 2.51 0.00 119 E 8.62 4.31 0.00 1.59 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 2.16 0.00 120 F 7.84 5.17 0.00 3.19 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 0.00 121 S 7.93 4.60 0.00 3.98 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 0.00 122 P 0.00 4.57 0.00 2.10 2.12 0.00 3.74 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.08 0.00 123 N 8.26 4.59 0.00 2.78 2.79 0.00 0.00 7.02 7.73 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 0.00 124 L 8.40 4.36 0.00 1.23 1.32 0.78 0.84 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 0.00 125 W 8.56 4.54 0.00 3.47 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 G 8.35 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 0.00 127 L 7.94 4.31 0.00 1.81 1.54 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 128 E 8.11 4.48 0.00 1.97 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 129 F 8.46 5.01 0.00 2.98 2.96 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 0.00 130 Q 9.36 4.97 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.90 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 131 K 8.76 4.25 0.00 1.97 1.99 0.00 1.67 0.00 0.00 1.84 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.50 7.81 132 N 8.75 4.03 0.00 2.90 2.89 0.00 0.00 6.73 7.02 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 0.00 133 K 7.62 4.76 0.00 1.94 1.34 0.00 1.77 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.43 7.81 134 D 8.35 5.24 0.00 2.52 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 0.00 0.00 0.00 135 Y 8.63 4.72 0.00 3.00 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 0.00 136 Y 8.78 5.35 0.00 3.14 2.93 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 0.00 137 I 9.25 5.31 2.11 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.89 0.94 0.00 0.00 138 I 9.00 5.47 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 1.22 0.94 1.06 0.00 0.00 139 S 8.78 5.11 0.00 3.94 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 0.00 140 T 8.54 4.87 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 1.30 0.00 0.00 141 S 8.31 4.69 0.00 4.12 3.89 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 0.00 142 N 8.79 4.77 0.00 2.71 2.93 0.00 0.00 6.33 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 G 8.40 3.71 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 0.00 144 S 8.10 4.82 0.00 4.15 3.98 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 0.00 145 L 8.32 3.12 0.00 0.65 1.35 0.33 0.74 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 0.00 146 E 7.50 3.96 0.00 1.94 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 2.30 2.24 0.00 147 G 7.71 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 0.00 148 L 7.67 3.92 0.00 1.68 1.70 1.07 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 149 D 7.83 4.90 0.00 2.70 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 0.00 150 N 7.89 4.38 0.00 3.02 2.77 0.00 0.00 6.90 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 8.61 4.54 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.85 0.00 0.00 0.00 0.00 0.00 2.46 2.22 0.00 152 E 7.71 5.12 0.00 1.84 1.74 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 2.24 2.22 0.00 153 G 9.11 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 0.00 154 G 8.89 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 0.00 155 V 8.27 3.69 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 1.03 0.00 0.00 1.23 0.00 0.00 156 C 8.39 4.31 0.00 3.25 3.35 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 0.00 157 Q 8.17 4.05 0.00 2.13 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 6.70 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 158 T 8.16 4.11 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 1.22 0.00 0.00 159 R 7.42 4.53 0.00 1.76 1.81 0.00 3.35 0.00 0.00 3.17 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 160 A 7.74 3.99 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 0.00 161 M 7.65 3.52 0.00 0.62 1.56 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.82 0.00 162 K 7.98 5.37 0.00 1.95 1.98 0.00 1.50 0.00 0.00 1.87 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.65 1.59 7.81 163 I 9.41 5.14 2.13 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.43 1.05 0.00 0.00 164 L 9.02 4.79 0.00 1.75 1.47 0.51 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 165 M 9.01 4.62 0.00 1.88 2.11 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.49 0.00 166 K 8.43 4.56 0.00 0.79 1.04 0.00 1.46 0.00 0.00 1.04 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.21 0.70 7.81 167 V 8.69 3.69 2.53 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 1.05 0.00 0.00 0.98 0.00 0.00 168 G 9.26 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 0.00 0.00 0.00 169 H 9.64 4.93 0.00 3.43 3.42 0.00 5.92 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 0.00 170 H 8.93 4.26 0.00 2.91 2.75 0.00 5.76 0.00 0.00 0.00 0.00 6.91 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.