NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 N 4.7077 8.3829 119.2123 52.6455 39.5022 174.7202 14 L 3.8611 8.3794 126.8308 58.5985 41.1529 176.9149 15 Y 4.2791 8.3823 120.5447 60.4199 39.1194 177.3741 16 F 3.8415 8.6051 121.3054 61.5254 39.3365 176.9948 17 Q 4.1403 8.6857 116.6285 59.0731 28.8619 179.0073 18 G 3.6531 8.2793 106.8096 47.6043 0.0000 176.0247 19 K 3.9240 7.4044 119.6118 58.0195 31.9513 178.4158 20 I 4.2163 6.6425 111.1962 59.5742 37.9247 175.2515 21 D 4.5797 7.3859 122.7407 55.0124 42.5582 176.9092 22 I 4.3627 8.0664 126.5273 61.9759 36.4765 173.2528 23 H 4.4125 8.4402 117.6517 59.7806 28.0402 177.7524 24 V 3.5265 7.4422 120.4314 66.0596 31.3549 177.9039 25 L 4.1742 7.8123 118.1469 57.5608 41.3712 179.2062 26 E 3.9975 8.2227 118.2028 59.6849 29.5041 178.8381 27 N 4.3602 8.4787 116.5116 56.3587 38.5932 177.2827 28 F 4.2193 8.2566 121.7043 61.3136 39.5775 177.1240 29 K 3.4884 8.2865 118.2259 59.5878 31.7766 178.9882 30 N 4.2949 8.2851 116.5409 56.4019 38.4537 176.9256 31 Y 3.9279 8.1866 120.6831 60.6070 38.9399 177.6658 32 A 3.8647 8.1093 122.1295 55.2055 18.3663 179.6592 33 L 3.8424 7.7423 117.4148 57.8791 41.7447 179.1800 34 M 4.0868 8.1997 118.5325 58.4620 32.0166 178.1026 35 L 3.6940 7.6982 120.4081 58.0031 42.1914 178.8233 36 R 3.8099 7.7708 118.6514 59.3258 29.9386 177.8851 37 F 4.4544 8.5000 120.7872 61.9232 39.2545 177.2760 38 Q 3.7293 8.1314 117.3142 58.7255 28.4750 178.8726 39 K 3.9737 8.2649 119.7414 59.1882 32.0810 179.4072 40 L 3.9964 8.3868 119.4069 57.7960 41.6427 179.1431 41 A 4.3876 8.4306 120.7163 56.0020 18.2583 179.7399 42 M 4.1206 8.4569 117.0410 58.5318 32.0498 179.1487 43 T 3.8703 8.0583 116.3038 66.6818 68.5989 176.7052 44 I 3.8087 7.7340 121.2703 64.3138 37.2114 178.5251 45 I 3.7683 7.9330 120.5403 64.4398 36.7361 178.4081 46 A 4.0689 8.1097 120.7090 55.0927 18.2348 179.1673 47 Q 4.1003 7.9216 117.1264 58.8461 29.2914 177.4083 48 Q 4.3712 7.9542 116.5783 55.1473 29.6395 176.1189 49 S 4.1154 7.3961 115.3268 58.9620 62.7077 173.2704 50 N 4.6252 8.6845 124.3823 53.6987 39.1657 174.5490 51 D 4.5548 8.0268 117.7330 54.4198 41.7026 175.8379 52 Y 4.0637 8.6648 129.0562 60.8763 37.5072 177.4790 53 D 4.4006 8.2280 119.4164 56.7407 40.7386 178.9146 54 V 3.7354 7.6180 118.7560 65.8134 31.7201 177.7231 55 Q 3.9193 7.8313 118.0308 58.9251 28.5128 179.2282 56 K 3.7941 7.6266 120.0081 59.6894 32.3912 179.2643 57 L 3.4137 7.0497 117.9593 57.1086 41.5205 179.1582 58 K 3.9690 8.0616 119.4872 59.5623 32.2332 178.5597 59 A 3.9332 8.4201 120.9376 55.1504 18.4303 179.4941 60 A 3.8154 7.8870 119.5899 55.2682 18.3230 179.9443 61 F 4.2966 7.7536 116.9564 60.4166 38.6129 177.9237 62 L 3.9969 7.6767 118.9241 58.7856 40.3121 178.4711 *63 H 4.4038 7.8423 113.5955 57.0640 28.7274 176.7057 64 L 4.2746 7.1089 120.1103 58.7411 42.4586 177.7746 65 D 4.6671 8.3479 123.1230 54.4937 43.5391 176.0502 *69 K 4.2654 8.5284 116.6841 55.0654 34.2166 173.7530 70 G 3.8631 9.6812 107.4267 44.2940 0.0000 171.8189 71 N 5.6506 7.9893 118.1489 51.6552 41.2270 173.3395 72 I 4.9429 8.7343 118.6383 59.0567 41.9715 174.7109 73 T 4.6650 9.0511 113.3883 60.9324 69.6163 175.8783 74 K 3.9635 9.2204 123.2104 59.4544 31.9961 179.8189 75 L 3.9826 7.8679 118.9238 58.0406 41.6463 179.3215 76 Q 4.0198 8.6258 118.1963 58.8137 28.5932 178.8574 77 L 3.7474 7.9033 121.3526 58.0671 42.0882 179.1127 78 R 3.8421 8.2832 120.6102 59.8426 30.0097 179.8433 79 K 4.0838 8.1882 123.4806 59.7296 31.4888 181.1361 80 G 3.9160 8.0557 106.1407 47.5402 0.0000 175.5971 81 L 4.1045 8.0617 121.1973 57.6683 41.6598 179.3441 82 E 4.4302 8.4830 122.5973 59.7020 29.2481 180.4608 83 R 3.9963 8.3972 119.4207 60.6849 29.5245 179.9305 84 S 4.5809 7.5651 110.4415 59.5031 63.3156 174.8984 85 G 4.0604 7.9746 111.4638 45.4097 0.0000 173.1881 86 L 4.4984 7.6991 119.4361 53.0359 43.2121 175.1831 87 M 4.4207 8.3754 122.5906 54.3953 33.0267 175.4386 88 L 4.3100 8.1460 126.4594 52.7970 43.3371 174.9728 89 P 4.5442 0.0000 0.0000 61.9490 32.0168 175.5933 90 P 4.3101 0.0000 0.0000 65.1790 31.5551 177.1407 91 N 4.8838 8.0838 113.9413 52.6480 37.9026 176.0891 92 F 4.1156 8.3184 122.9801 62.4324 39.3602 176.9444 93 D 4.2651 8.2574 117.5239 57.3386 40.4375 178.4014 94 L 3.9304 7.8192 119.0042 58.2013 42.4813 178.5764 95 L 4.0591 7.7334 118.8971 57.6593 41.5659 179.1946 96 L 3.8357 7.8954 120.6761 58.1708 40.9262 178.7791 97 D 4.4033 7.9515 118.3888 57.1719 40.4327 178.6377 98 Q 4.2468 7.8115 117.7511 57.9436 28.7598 176.9899 99 I 4.0702 7.1614 111.5699 61.3484 38.6923 174.5543 100 D 4.0796 7.1805 121.4424 55.0436 45.2061 176.5430 *104 S 4.1736 8.4559 115.1417 57.9640 63.3599 171.6856 105 G 3.9713 7.9678 109.3090 45.7618 0.0000 171.3317 106 N 5.3689 7.6397 116.4874 51.5293 42.1143 173.4755 107 I 4.7251 8.9116 120.1994 59.3663 41.6524 173.7401 108 D 5.0331 8.7896 129.1265 54.0187 40.9667 176.3338 109 Y 4.1489 8.5263 126.5212 60.0051 37.9640 178.1013 110 T 3.9668 7.3847 117.6282 66.4756 68.5324 176.2056 111 E 3.9759 8.4069 120.7460 59.1744 29.2293 179.0537 112 F 3.9747 7.7338 119.0516 61.3599 39.9391 176.7633 113 L 4.2529 8.6474 118.7217 57.9327 41.3364 179.3985 114 A 3.9904 8.5120 120.8210 55.1457 18.0812 179.5003 115 A 3.9360 7.6668 117.8326 54.2726 18.5036 178.6387 116 A 4.2197 7.2290 116.7940 51.3279 19.3663 176.7682 117 I 4.2228 6.8189 119.1155 59.2810 38.9982 175.0261 118 D 4.5430 8.4552 124.8796 53.4260 41.3052 176.9782 119 R 3.9811 8.4911 127.1134 59.0979 30.4360 179.3773 120 R 4.1067 7.7500 115.9769 58.4487 30.0902 177.3904 121 Q 4.6022 7.5068 115.1987 55.2411 29.1141 175.5962 122 L 4.0983 7.7968 118.6916 54.8397 42.3223 177.8963 123 S 4.4371 8.4998 118.0468 57.7100 65.3081 175.0836 124 K 4.0967 8.7572 124.4880 60.1261 32.0169 179.2247 125 K 4.0451 8.0962 118.0083 59.3795 31.5142 178.9911 126 L 4.0968 8.2026 120.6789 58.1996 42.0374 179.0363 127 I 3.9623 8.1885 119.9353 64.7080 37.0128 177.7885 128 Y 4.3574 8.7019 120.5153 60.8667 38.3447 177.6981 129 C 4.1176 8.1583 116.6187 62.8582 28.4398 175.7806 130 A 4.2411 7.9462 121.3725 55.1369 18.0213 179.2560 131 F 3.3925 8.4223 119.2724 61.4433 39.1867 177.1397 132 R 3.5678 7.7075 117.1677 59.4449 29.7412 178.3000 133 V 3.5514 7.1208 117.2723 65.9163 31.5728 177.7981 134 F 4.2268 7.7243 116.0381 59.1095 40.4264 176.2326 135 D 4.4444 7.7623 120.5325 52.1582 37.8867 176.6823 136 V 3.5293 7.5590 122.7193 64.2480 32.2783 178.0403 137 D 4.4375 8.2207 117.7988 52.7786 39.8563 175.6111 138 N 4.6938 7.7473 117.7775 55.0304 37.6856 173.8209 139 D 4.6527 8.0966 111.8148 52.7675 39.9876 176.9830 140 G 4.2567 9.8683 108.5535 45.5425 0.0000 173.0944 141 E 5.0077 8.4269 117.9649 54.5328 33.5313 175.2171 142 I 4.3995 9.4110 126.1693 59.9002 38.3843 175.7955 143 T 4.6467 8.7471 118.0426 60.6202 71.0489 175.9363 144 T 3.7833 8.7781 112.3966 65.4083 68.4308 176.1508 145 A 4.1002 7.9588 123.5405 54.2296 18.1814 179.2451 146 E 3.8373 8.1243 117.2229 59.5461 29.5331 179.2819 147 L 3.9357 8.3198 120.3690 58.1530 42.1104 178.7035 148 A 4.0565 8.5809 121.0186 55.4600 18.2192 178.8651 149 H 4.0866 8.2131 116.5236 59.6909 29.7602 177.5916 150 V 3.3506 7.8240 118.9159 65.9326 31.3863 177.5970 151 L 4.0432 8.0387 117.9551 56.2809 41.6117 177.6410 152 F 4.8303 7.9625 115.4312 57.5492 41.1210 175.2781 153 N 4.2517 8.5383 120.1673 53.5999 38.9687 174.6794 *159 N 4.5318 8.4034 125.2076 53.4168 39.3285 173.3059 160 I 3.9245 7.5423 113.9174 60.5221 38.6407 177.3492 161 T 4.4051 8.4355 114.1017 60.2160 72.0977 175.6710 162 E 3.9419 8.4277 119.3926 59.4942 29.3821 179.4417 163 R 3.8094 7.8533 118.0887 59.5414 30.2338 177.7023 164 D 4.0463 7.4910 118.7839 57.6148 40.7845 179.4621 165 V 3.6449 7.3671 117.1729 66.0736 31.5264 177.5927 166 N 4.3598 8.0650 116.3911 56.6657 38.7634 176.8713 167 Q 4.0314 8.2481 119.6481 58.8949 28.8795 179.0126 168 V 3.5516 7.7788 118.8231 65.8401 31.3772 177.8825 169 K 3.9130 7.7651 118.2626 59.5971 32.1373 178.5806 170 K 4.1422 8.1008 118.7197 59.5940 31.7667 179.0426 171 M 4.1398 7.9093 117.8996 58.4098 32.3821 177.7738 172 I 3.9931 7.7158 111.6608 62.4652 37.7272 177.8743 173 R 3.9786 7.6241 122.8814 60.5054 30.0057 178.8108 174 E 4.1525 8.1749 116.2032 60.3880 29.9424 179.7973 175 V 4.3114 7.5812 109.3052 61.6067 32.9171 176.4059 176 D 4.6936 8.2100 121.7784 52.6836 39.3573 176.3762 177 K 3.9890 8.3476 122.8851 58.7775 31.4611 177.7944 178 N 4.5923 8.7061 114.2082 52.4691 37.6474 176.1407 179 G 3.7981 8.0671 107.1376 46.6515 0.0000 174.0540 180 D 4.5735 7.9516 114.4714 52.5495 39.7164 177.5437 181 G 3.9775 8.8983 108.3287 45.7077 0.0000 173.3960 182 K 4.8564 8.1642 117.4723 54.5169 36.5187 176.0347 183 I 4.7605 8.9894 123.7314 59.9794 38.9345 175.6545 184 D 5.2977 9.0943 128.1895 52.3884 41.4944 177.5296 185 F 3.3478 8.8595 119.3610 61.2850 39.1779 175.8729 186 Y 4.0587 8.2158 118.6838 61.0429 38.5024 178.0885 187 E 3.5825 8.7697 119.4180 59.1371 29.4453 179.1553 188 F 3.9786 8.2016 120.7991 61.0363 39.4683 177.1562 189 S 3.6099 7.8645 113.1215 61.2975 62.1660 175.7447 190 E 3.9587 7.5890 122.5494 58.9006 28.9203 179.2484 191 M 3.7598 7.2764 116.6704 58.7565 32.5724 177.9552 192 M 3.8760 7.5163 119.0356 58.1012 31.8897 178.3206 193 K 4.6202 7.8688 116.0766 55.0884 32.5289 176.8506 194 L 3.4827 7.7877 120.7756 54.6368 39.9991 175.4183 195 T 3.5951 7.8672 115.0972 61.3410 70.8194 174.2377 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 13 N 8.38 4.71 0.00 2.72 2.82 0.00 0.00 7.14 5.78 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 14 L 8.38 3.86 0.00 1.77 1.70 0.92 0.39 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 15 Y 8.38 4.28 0.00 3.03 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 F 8.61 3.84 0.00 3.29 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Q 8.69 4.14 0.00 2.20 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.76 0.00 0.00 0.00 0.00 0.00 2.74 2.61 0.00 18 G 8.28 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.40 3.92 0.00 1.42 1.54 0.00 1.49 0.00 0.00 1.54 0.00 0.00 3.13 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.85 0.58 7.81 20 I 6.64 4.22 1.67 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.49 0.31 0.00 0.00 21 D 7.39 4.58 0.00 2.83 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 22 I 8.07 4.36 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.67 0.93 0.00 0.00 23 H 8.44 4.41 0.00 3.36 3.61 0.00 5.24 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 24 V 7.44 3.53 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 1.01 0.00 0.00 0.76 0.00 0.00 25 L 7.81 4.17 0.00 1.94 1.78 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.22 4.00 0.00 2.15 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 2.43 2.38 0.00 27 N 8.48 4.36 0.00 2.93 2.93 0.00 0.00 6.76 8.96 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 28 F 8.26 4.22 0.00 3.19 3.34 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 29 K 8.29 3.49 0.00 1.99 1.83 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.10 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.90 7.81 30 N 8.29 4.29 0.00 2.94 2.89 0.00 0.00 6.70 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 31 Y 8.19 3.93 0.00 3.14 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 32 A 8.11 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 7.74 3.84 0.00 1.72 1.60 0.98 0.61 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 34 M 8.20 4.09 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.51 0.00 35 L 7.70 3.69 0.00 1.70 1.57 0.52 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 36 R 7.77 3.81 0.00 1.85 1.97 0.00 3.08 0.00 0.00 2.87 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 37 F 8.50 4.45 0.00 3.07 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 38 Q 8.13 3.73 0.00 2.08 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.59 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 39 K 8.26 3.97 0.00 2.00 1.84 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.46 1.35 7.81 40 L 8.39 4.00 0.00 2.16 1.83 0.97 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.43 4.39 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 42 M 8.46 4.12 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.79 0.00 43 T 8.06 3.87 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 1.19 0.00 0.00 44 I 7.73 3.81 2.10 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.77 0.95 0.00 0.00 45 I 7.93 3.77 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.12 0.94 0.00 0.00 46 A 8.11 4.07 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 47 Q 7.92 4.10 0.00 2.12 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 48 Q 7.95 4.37 0.00 2.19 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.54 0.00 0.00 0.00 0.00 0.00 2.50 2.54 0.00 49 S 7.40 4.12 0.00 4.04 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 50 N 8.68 4.63 0.00 2.75 2.84 0.00 0.00 7.08 8.47 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 51 D 8.03 4.55 0.00 2.90 2.57 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 52 Y 8.66 4.06 0.00 3.17 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 53 D 8.23 4.40 0.00 2.81 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 54 V 7.62 3.74 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.99 0.00 0.00 55 Q 7.83 3.92 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.49 0.00 56 K 7.63 3.79 0.00 1.71 1.35 0.00 1.27 0.00 0.00 1.62 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.28 1.25 7.81 57 L 7.05 3.41 0.00 1.73 1.33 1.09 0.57 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 58 K 8.06 3.97 0.00 1.88 2.03 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.56 1.68 7.81 59 A 8.42 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 A 7.89 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 F 7.75 4.30 0.00 2.15 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 0.00 0.00 0.00 62 L 7.68 4.00 0.00 1.87 1.90 0.97 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 *63 H 7.84 4.40 0.00 3.36 3.20 0.00 7.11 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 L 7.11 4.27 0.00 1.86 1.75 1.01 0.98 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 65 D 8.35 4.67 0.00 2.82 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 *69 K 8.53 4.27 0.00 1.84 1.75 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.02 7.81 70 G 9.68 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 0.00 0.00 0.00 71 N 7.99 5.65 0.00 2.69 2.70 0.00 0.00 6.81 7.94 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 72 I 8.73 4.94 2.00 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.69 0.94 0.00 0.00 73 T 9.05 4.67 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 1.31 0.00 0.00 74 K 9.22 3.96 0.00 1.77 1.91 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.43 1.62 7.81 75 L 7.87 3.98 0.00 1.68 1.72 0.92 0.98 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 76 Q 8.63 4.02 0.00 2.22 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 77 L 7.90 3.75 0.00 1.51 1.71 0.01 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 78 R 8.28 3.84 0.00 2.06 1.90 0.00 3.58 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.99 0.00 79 K 8.19 4.08 0.00 1.78 1.82 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.33 7.81 80 G 8.06 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 81 L 8.06 4.10 0.00 1.75 1.60 0.64 0.87 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 82 E 8.48 4.43 0.00 1.92 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 2.24 2.23 0.00 83 R 8.40 4.00 0.00 1.86 1.85 0.00 3.26 0.00 0.00 3.27 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 84 S 7.57 4.58 0.00 3.97 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 85 G 7.97 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 L 7.70 4.50 0.00 1.79 1.54 0.95 0.82 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 87 M 8.38 4.42 0.00 1.94 1.95 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.60 0.00 88 L 8.15 4.31 0.00 1.49 1.19 0.23 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 89 P 0.00 4.54 0.00 2.31 2.25 0.00 3.79 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.15 0.00 90 P 0.00 4.31 0.00 2.09 2.19 0.00 3.70 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 91 N 8.08 4.88 0.00 2.91 3.04 0.00 0.00 5.88 8.12 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 92 F 8.32 4.12 0.00 3.36 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 93 D 8.26 4.27 0.00 2.83 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 94 L 7.82 3.93 0.00 1.63 1.84 0.92 0.95 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 95 L 7.73 4.06 0.00 1.74 1.61 0.98 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 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 E 8.43 5.01 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 2.33 2.48 0.00 142 I 9.41 4.40 1.87 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 1.00 0.88 0.00 0.00 143 T 8.75 4.65 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 1.22 0.00 0.00 144 T 8.78 3.78 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 0.00 145 A 7.96 4.10 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 0.00 146 E 8.12 3.84 0.00 2.23 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 2.27 2.27 0.00 147 L 8.32 3.94 0.00 1.64 1.69 0.06 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 148 A 8.58 4.06 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 0.00 149 H 8.21 4.09 0.00 3.31 3.56 0.00 5.79 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 V 7.82 3.35 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 0.48 0.00 0.00 0.82 0.00 0.00 151 L 8.04 4.04 0.00 1.02 1.00 0.54 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 152 F 7.96 4.83 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 0.00 153 N 8.54 4.25 0.00 2.62 2.73 0.00 0.00 7.08 8.39 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 *159 N 8.40 4.53 0.00 2.74 2.77 0.00 0.00 7.27 7.94 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 0.00 160 I 7.54 3.92 1.83 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 1.48 0.68 0.98 0.00 0.00 161 T 8.44 4.41 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 0.00 162 E 8.43 3.94 0.00 2.00 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 2.38 2.35 0.00 163 R 7.85 3.81 0.00 1.82 1.83 0.00 3.15 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 164 D 7.49 4.05 0.00 2.60 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 0.00 0.00 0.00 165 V 7.37 3.64 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 1.00 0.00 0.00 0.97 0.00 0.00 166 N 8.06 4.36 0.00 2.79 2.95 0.00 0.00 7.24 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 0.00 167 Q 8.25 4.03 0.00 2.42 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.59 0.00 0.00 0.00 0.00 0.00 2.41 2.55 0.00 168 V 7.78 3.55 2.31 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 0.96 0.00 0.00 1.04 0.00 0.00 169 K 7.77 3.91 0.00 1.81 2.02 0.00 1.86 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.50 7.81 170 K 8.10 4.14 0.00 1.99 1.85 0.00 1.75 0.00 0.00 1.77 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.60 7.81 171 M 7.91 4.14 0.00 2.10 2.07 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.74 0.00 172 I 7.72 3.99 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 1.67 0.99 0.93 0.00 0.00 173 R 7.62 3.98 0.00 1.77 2.08 0.00 3.44 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.81 0.00 174 E 8.17 4.15 0.00 2.07 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 2.23 1.97 0.00 175 V 7.58 4.31 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 0.77 0.00 0.00 1.05 0.00 0.00 176 D 8.21 4.69 0.00 2.81 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 0.00 177 K 8.35 3.99 0.00 1.90 1.96 0.00 1.62 0.00 0.00 1.81 0.00 0.00 2.88 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.46 1.57 7.81 178 N 8.71 4.59 0.00 2.93 3.10 0.00 0.00 6.95 8.03 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 0.00 179 G 8.07 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 0.00 0.00 0.00 180 D 7.95 4.57 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 0.00 181 G 8.90 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 0.00 0.00 0.00 182 K 8.16 4.86 0.00 1.71 1.91 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.79 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.41 7.81 183 I 8.99 4.76 2.02 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.85 1.16 0.00 0.00 184 D 9.09 5.30 0.00 2.99 3.31 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 0.00 185 F 8.86 3.35 0.00 2.44 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 0.00 186 Y 8.22 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 0.00 187 E 8.77 3.58 0.00 2.24 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 2.40 2.51 0.00 188 F 8.20 3.98 0.00 3.27 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 0.00 189 S 7.86 3.61 0.00 2.90 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 0.00 190 E 7.59 3.96 0.00 1.77 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 1.66 1.58 0.00 191 M 7.28 3.76 0.00 1.70 1.81 0.00 0.00 0.00 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.11 0.00 192 M 7.52 3.88 0.00 1.75 1.68 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.41 0.00 193 K 7.87 4.62 0.00 1.54 1.75 0.00 1.76 0.00 0.00 1.48 0.00 0.00 3.11 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.32 7.81 194 L 7.79 3.48 0.00 1.67 1.62 0.85 0.73 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 0.00 195 T 7.87 3.60 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 * Residues marked with a * may have inaccurate shift predictions.