NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 52 H 4.8082 8.4449 117.8368 55.6231 30.1760 172.6803 53 L 4.3882 8.3280 123.1163 53.6865 42.9361 175.6724 54 I 4.3104 8.5029 122.2949 58.2108 39.2408 172.5696 55 P 2.9942 0.0000 0.0000 61.1853 32.0471 174.7396 56 P 4.5467 0.0000 0.0000 61.8834 31.7050 175.3218 57 L 4.0322 8.5255 119.8289 57.2906 41.7561 176.7722 58 N 4.5148 9.0749 121.6405 54.0018 36.4103 173.9118 59 F 4.6727 8.0300 118.6617 58.8690 41.1826 173.9911 60 S 3.9661 6.8999 124.0899 58.5507 68.0487 177.5157 *62 V 3.8510 8.6420 115.3404 61.8885 32.8312 174.1308 63 D 4.5968 7.3544 115.8158 52.8971 44.3913 174.9584 64 N 4.0581 8.5879 116.7458 56.3293 38.5543 176.3176 65 G 3.9641 7.9287 103.6180 45.0113 0.0000 171.9233 66 I 4.7619 7.0623 120.5715 59.3067 39.8635 174.8046 67 F 5.0687 9.0742 123.5954 55.8233 43.7569 173.9055 68 R 5.7746 8.8370 116.0352 54.1707 33.4827 174.1298 69 S 4.9981 7.5697 113.7004 58.7006 65.9339 175.5357 70 G 4.4629 9.8346 108.7078 44.8921 0.0000 173.0394 71 F 3.9635 8.6406 122.9350 57.8819 39.4342 174.0320 72 P 4.7795 0.0000 0.0000 62.1712 31.9704 174.5028 73 D 4.6402 8.6546 118.7452 51.8451 42.9107 177.1187 74 S 2.7900 7.8055 114.2971 61.1072 62.7311 177.1181 75 A 3.8306 7.7510 120.0968 54.6223 18.1734 178.1292 76 N 4.9204 8.5332 115.6491 53.1620 39.2669 177.1116 77 F 3.8423 7.4238 120.3843 60.5044 38.7762 177.1957 78 S 4.2526 8.2350 111.8951 61.8206 62.7467 176.0363 79 F 4.1656 8.1400 123.8300 60.8284 39.1168 176.7173 80 L 3.8524 8.5572 118.8463 57.9565 41.3813 179.4071 81 Q 4.1007 8.9342 119.6949 59.0681 28.6689 178.4858 82 T 3.7942 7.7862 116.8404 66.5185 68.5458 176.4513 83 L 3.9333 7.0646 119.6152 55.1587 42.1047 177.2005 84 G 3.8671 7.5487 105.7160 45.9680 0.0000 174.3707 85 L 4.2102 7.9268 117.7549 55.2171 42.6467 177.6830 86 R 4.5212 9.0832 123.7320 58.0138 31.8956 175.7637 87 S 5.2743 7.7788 111.0621 57.5038 66.5957 173.5916 88 I 5.0608 9.3010 121.4244 59.7687 40.9865 174.8510 89 I 4.8305 8.8090 128.0703 60.1649 38.3568 173.7679 90 Y 4.9887 9.2940 130.1926 56.0988 39.7760 175.6349 91 L 5.1045 8.7954 127.2094 54.7798 43.0735 175.7921 92 C 4.7552 6.4905 115.2720 57.0699 31.3156 172.8399 93 P 4.3502 0.0000 0.0000 64.9818 31.5125 176.9234 94 E 4.2348 8.0044 117.9632 55.6693 30.0130 174.7815 95 P 4.6634 0.0000 0.0000 62.1492 32.1960 175.9576 96 Y 4.2083 8.7807 123.6993 56.7165 39.4204 174.6297 97 P 4.4515 0.0000 0.0000 62.9091 33.0598 176.6302 98 E 3.9324 8.6880 118.1615 59.4236 29.6361 178.5779 99 S 4.2198 8.1876 113.5939 61.8513 62.8119 176.0083 100 N 4.4336 8.3021 119.4194 56.0944 38.4037 176.8998 101 L 4.1141 7.9962 120.0445 58.0220 41.6777 179.2316 102 Q 3.9292 8.3434 119.4120 59.4537 28.9231 178.1668 103 F 3.7590 8.0916 121.2791 61.3096 39.1298 177.0620 104 L 3.8761 7.8912 118.2013 57.7359 41.4820 179.5741 105 K 3.8079 7.9477 118.0314 59.7163 31.8456 179.3006 106 S 4.0196 7.7948 114.0773 61.5701 62.9106 175.9644 107 N 4.4728 7.7989 115.4009 51.5599 39.9479 175.0502 108 G 3.8730 7.6050 108.9323 46.7729 0.0000 173.4135 109 I 4.6696 7.5681 117.1573 59.3576 40.1357 177.9383 110 R 3.9852 8.7407 126.3475 55.9832 31.4358 175.5242 111 L 4.9284 8.1039 124.5065 53.5102 43.9474 175.1778 112 F 4.5502 9.4290 126.4438 55.9521 41.1480 175.0243 113 Q 4.6199 7.9840 123.3369 54.4181 31.5035 175.0501 114 F 4.8369 8.7307 126.0381 54.3844 39.1784 173.2692 115 G 3.7021 8.3774 106.8862 46.9410 0.0000 169.8991 116 I 4.5536 7.8360 125.5488 58.9591 39.6401 175.4490 117 E 3.7138 9.0577 128.0227 56.7198 29.7300 176.5415 118 G 3.9138 8.5912 114.8402 44.2358 0.0000 172.2781 119 N 4.9586 8.3234 122.5838 50.7988 41.5651 174.5202 120 K 4.4311 8.3696 118.1272 55.6980 33.6453 178.6731 121 E 3.7001 8.5295 124.1907 59.2341 30.6083 176.9206 122 P 4.1859 0.0000 0.0000 65.0910 31.5556 176.0452 123 F 4.7617 8.0513 127.7575 55.5691 40.5665 173.8076 124 V 4.1098 7.4988 126.6005 61.0689 33.9879 174.9422 125 N 4.2108 7.8731 119.4761 53.0278 40.2288 173.6606 126 I 3.8662 7.9697 127.5287 59.4399 38.3419 174.6551 127 P 4.3560 0.0000 0.0000 62.2193 31.6957 176.5972 128 D 4.7452 8.8214 123.7586 57.9882 40.9935 177.0481 129 H 4.2412 8.2625 117.5967 59.0154 30.0350 176.5098 130 K 3.8228 8.0559 120.2874 59.7727 32.1909 178.9870 131 I 3.8402 7.7544 119.6529 64.2244 37.0080 180.2159 132 R 4.1945 7.9749 117.8270 56.3238 29.9490 178.6628 *134 A 3.6948 8.0227 123.4151 51.9048 20.6683 179.6005 135 L 3.8536 8.2031 117.5608 58.2870 41.7110 179.0960 136 K 3.8553 7.9358 117.8771 59.3708 32.3344 178.7253 137 V 3.5554 7.6093 117.5543 66.1275 31.1170 177.6089 138 L 3.8983 7.7912 118.6401 58.3444 42.0085 178.7530 139 L 4.3108 7.7541 116.5259 55.4947 41.7727 176.5831 140 D 4.5307 7.7453 120.1000 52.9240 41.1799 176.3167 141 E 3.5968 8.8205 127.6226 59.3949 29.7657 179.6881 142 K 3.9112 8.5488 117.7974 59.6423 32.1625 178.0057 143 N 4.6101 8.0986 114.6314 55.5165 38.7693 175.4366 144 H 4.6953 7.6888 115.4515 54.6877 29.5812 173.3302 145 P 4.7781 0.0000 0.0000 62.8249 32.3551 175.4976 146 V 5.4840 9.0845 124.2635 60.2094 34.9761 173.8865 147 L 5.2675 8.5606 127.5167 53.5347 44.8571 174.7535 148 I 4.9784 9.1878 128.7477 60.4544 39.0153 174.6437 149 H 5.7387 9.2003 120.6211 54.9893 31.8046 171.9641 150 C 4.8755 8.5818 117.1473 58.2992 32.0998 174.8601 151 K 4.4333 9.3090 115.6070 58.5753 32.1072 178.3908 152 R 4.4940 8.1539 115.9380 55.0074 30.9702 176.2128 153 G 3.9882 8.0798 105.4513 46.9942 0.0000 174.4778 154 K 4.2782 7.9579 116.0141 57.8756 34.4819 178.1585 155 H 4.9657 7.4805 116.2143 57.7791 29.2097 177.5217 156 R 3.8853 7.9267 118.9806 59.9158 30.0828 178.9736 157 T 3.9641 8.0165 114.6953 66.9230 68.6470 176.7820 158 G 3.9892 7.9297 108.1842 47.2310 0.0000 175.5813 159 C 4.1789 8.4647 119.4755 62.5929 28.2331 175.5136 160 L 3.8147 7.7301 121.8965 58.4688 41.6726 179.3536 161 V 3.6001 7.8795 117.8961 65.6510 31.3183 178.2520 162 G 3.5395 7.8108 105.3083 48.0121 0.0000 175.6198 163 C 3.8831 8.0112 119.2538 61.8088 27.9315 175.9512 164 L 3.7887 7.5010 122.2387 58.2282 41.6916 179.2759 165 R 3.3425 7.5663 117.9250 58.7448 29.7542 178.9367 166 K 3.8856 7.7725 119.4533 59.5254 31.9744 178.7854 167 L 4.0313 7.6446 118.0413 57.8547 41.6091 178.8609 168 Q 4.2359 7.6575 114.1857 55.4038 28.9024 175.9260 169 K 3.9090 8.0404 118.3361 57.3833 29.8117 175.8353 170 W 4.8127 8.0245 117.6107 55.5276 30.9054 177.3031 171 C 4.3791 8.3452 116.7746 57.8641 31.2654 174.5513 172 L 3.3714 8.4489 122.9050 58.3812 41.0961 179.9268 173 T 4.2245 7.7676 114.7290 67.0580 68.5576 176.5967 174 S 4.2058 7.9655 116.2184 61.4867 62.9171 176.6129 175 I 3.9195 8.4097 122.8465 64.5809 36.9064 178.4071 176 F 4.6816 8.8156 119.6648 60.8031 38.8051 176.9974 177 D 4.4770 8.4027 117.6583 57.6270 40.6615 178.1305 178 E 4.0826 8.4116 119.3674 59.4086 29.6747 177.9624 179 Y 4.1809 8.2269 119.6034 61.1620 38.8420 178.3642 180 Q 3.9109 9.0326 119.1037 58.8154 28.5480 178.5432 181 R 3.7070 7.8239 119.0621 59.0254 29.9577 177.7295 182 F 4.4411 7.3234 115.6763 59.2871 39.9751 177.7167 183 A 3.8951 7.7119 119.8110 53.2166 18.5047 178.1484 184 A 3.3354 8.7022 120.6744 52.7783 17.8356 179.9713 185 A 4.0579 8.8558 117.7913 56.9096 18.2625 178.4641 186 K 4.3800 7.9057 113.0906 56.1285 32.1216 176.5089 187 A 4.1533 8.2480 124.3956 52.2490 18.7946 178.3588 188 R 4.7559 8.7158 120.6810 54.5246 32.6897 177.5927 189 V 3.5342 8.1957 121.3757 66.2100 31.5165 178.2915 190 S 4.0723 8.2679 114.4047 61.9970 62.6600 176.1797 191 D 4.3361 8.0599 120.4169 57.8560 40.3739 179.1394 192 Q 3.9276 6.9923 115.5101 58.6022 28.7822 178.5751 193 R 4.0815 8.2875 120.2652 59.3037 30.2640 178.7451 194 F 3.8265 8.3247 118.3386 59.4093 39.5022 176.0246 *196 E 4.3658 8.1222 118.9496 55.3737 31.0190 176.2351 197 I 4.1397 7.5093 116.7159 60.6853 37.7840 175.3947 198 F 3.6669 7.3488 123.1935 58.1250 39.0798 174.6548 199 D 4.2500 7.6264 128.4605 53.5930 39.5749 175.4186 200 V 3.8863 7.6662 125.9229 61.7115 29.9906 175.3157 201 S 4.5337 7.6872 115.8204 56.3430 64.9474 174.5309 202 S 4.0282 8.2040 122.2110 59.1426 62.8343 172.0535 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 52 H 8.44 4.81 0.00 3.17 3.26 0.00 5.66 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 53 L 8.33 4.39 0.00 1.80 1.79 1.04 0.58 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 54 I 8.50 4.31 2.01 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 1.34 0.80 0.79 0.00 0.00 55 P 0.00 2.99 0.00 1.59 0.56 0.00 3.32 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.44 0.00 56 P 0.00 4.55 0.00 2.26 2.23 0.00 3.23 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.07 0.00 57 L 8.53 4.03 0.00 1.76 1.67 0.94 0.63 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 58 N 9.07 4.51 0.00 2.99 2.97 0.00 0.00 6.78 8.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 F 8.03 4.67 0.00 3.18 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 60 S 6.90 3.97 0.00 4.09 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 *62 V 8.64 3.85 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 0.65 0.00 0.00 0.76 0.00 0.00 63 D 7.35 4.60 0.00 2.53 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 N 8.59 4.06 0.00 2.72 2.87 0.00 0.00 6.60 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 65 G 7.93 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 66 I 7.06 4.76 1.63 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 0.92 0.56 0.78 0.00 0.00 67 F 9.07 5.07 0.00 3.16 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 68 R 8.84 5.77 0.00 1.61 1.79 0.00 2.70 0.00 0.00 2.45 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.00 0.00 69 S 7.57 5.00 0.00 4.22 4.28 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 70 G 9.83 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 F 8.64 3.96 0.00 3.43 2.92 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 72 P 0.00 4.78 0.00 2.06 1.91 0.00 3.11 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.06 0.00 73 D 8.65 4.64 0.00 2.57 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 74 S 7.81 2.79 0.00 3.65 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 75 A 7.75 3.83 1.16 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 0.00 0.00 76 N 8.53 4.92 0.00 2.68 2.78 0.00 0.00 7.23 8.01 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 77 F 7.42 3.84 0.00 2.90 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 S 8.23 4.25 0.00 4.07 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 79 F 8.14 4.17 0.00 3.05 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 L 8.56 3.85 0.00 1.84 1.80 0.89 0.80 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 81 Q 8.93 4.10 0.00 2.43 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 82 T 7.79 3.79 3.84 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 1.04 0.00 0.00 83 L 7.06 3.93 0.00 1.43 1.41 0.23 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 84 G 7.55 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 0.00 0.00 0.00 85 L 7.93 4.21 0.00 1.71 1.72 1.02 1.05 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 86 R 9.08 4.52 0.00 1.93 2.19 0.00 3.46 0.00 0.00 3.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 87 S 7.78 5.27 0.00 4.42 4.15 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 88 I 9.30 5.06 1.91 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.75 1.06 0.00 0.00 89 I 8.81 4.83 1.94 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 1.14 0.98 1.10 0.00 0.00 90 Y 9.29 4.99 0.00 2.78 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 91 L 8.80 5.10 0.00 1.61 1.60 0.93 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 92 C 6.49 4.76 0.00 2.73 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 P 0.00 4.35 0.00 2.18 2.16 0.00 3.74 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 1.98 0.00 94 E 8.00 4.23 0.00 2.20 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 2.37 2.45 0.00 95 P 0.00 4.66 0.00 2.14 2.08 0.00 3.77 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.15 0.00 96 Y 8.78 4.21 0.00 2.84 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 97 P 0.00 4.45 0.00 2.27 2.10 0.00 3.61 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.79 0.00 98 E 8.69 3.93 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 2.41 2.47 0.00 99 S 8.19 4.22 0.00 4.34 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 0.00 100 N 8.30 4.43 0.00 2.92 2.81 0.00 0.00 7.09 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 0.00 101 L 8.00 4.11 0.00 2.10 1.80 1.03 0.84 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 0.00 102 Q 8.34 3.93 0.00 2.19 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.72 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 103 F 8.09 3.76 0.00 2.10 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 L 7.89 3.88 0.00 1.98 1.64 0.73 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 105 K 7.95 3.81 0.00 1.87 1.80 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.60 7.81 106 S 7.79 4.02 0.00 3.68 3.79 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 0.00 107 N 7.80 4.47 0.00 2.17 2.49 0.00 0.00 7.10 7.37 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 0.00 108 G 7.61 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 0.00 0.00 0.00 109 I 7.57 4.67 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 1.45 0.74 0.96 0.00 0.00 110 R 8.74 3.99 0.00 1.80 1.45 0.00 3.03 0.00 0.00 2.96 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 111 L 8.10 4.93 0.00 1.32 1.30 0.39 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 112 F 9.43 4.55 0.00 2.88 2.60 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 0.00 113 Q 7.98 4.62 0.00 2.04 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 7.19 0.00 0.00 0.00 0.00 0.00 2.08 2.09 0.00 114 F 8.73 4.84 0.00 2.94 2.88 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 0.00 115 G 8.38 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 0.00 116 I 7.84 4.55 1.95 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 1.08 0.99 0.83 0.00 0.00 117 E 9.06 3.71 0.00 1.88 1.86 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 2.30 2.40 0.00 118 G 8.59 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 N 8.32 4.96 0.00 2.60 2.73 0.00 0.00 7.14 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 0.00 120 K 8.37 4.43 0.00 1.83 1.72 0.00 1.71 0.00 0.00 1.76 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.42 7.81 121 E 8.53 3.70 0.00 1.91 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.43 0.00 122 P 0.00 4.19 0.00 2.30 2.20 0.00 3.71 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.05 0.00 123 F 8.05 4.76 0.00 2.83 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 0.00 124 V 7.50 4.11 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 0.72 0.00 0.00 0.93 0.00 0.00 125 N 7.87 4.21 0.00 2.17 2.41 0.00 0.00 7.00 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 0.00 126 I 7.97 3.87 0.93 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.24 -0.10 0.00 0.00 127 P 0.00 4.36 0.00 2.12 2.01 0.00 3.46 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 2.06 2.08 0.00 128 D 8.82 4.75 0.00 2.98 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 0.00 129 H 8.26 4.24 0.00 3.18 3.26 0.00 5.83 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 K 8.06 3.82 0.00 1.74 1.89 0.00 1.81 0.00 0.00 1.91 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.55 7.81 131 I 7.75 3.84 2.19 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.96 0.90 0.00 0.00 132 R 7.97 4.19 0.00 2.12 1.99 0.00 3.24 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.10 0.00 *134 A 8.02 3.69 1.24 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 0.00 0.00 135 L 8.20 3.85 0.00 1.81 1.81 0.80 0.86 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 0.00 136 K 7.94 3.86 0.00 1.66 1.80 0.00 1.79 0.00 0.00 1.61 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.58 7.81 137 V 7.61 3.56 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 -0.17 0.00 0.00 0.95 0.00 0.00 138 L 7.79 3.90 0.00 1.66 1.81 0.85 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 139 L 7.75 4.31 0.00 1.84 1.68 0.90 0.88 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 0.00 140 D 7.75 4.53 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 0.00 141 E 8.82 3.60 0.00 1.97 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.26 0.00 142 K 8.55 3.91 0.00 1.84 1.91 0.00 2.06 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.42 7.81 143 N 8.10 4.61 0.00 2.85 2.88 0.00 0.00 7.09 7.77 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 0.00 144 H 7.69 4.70 0.00 3.24 3.21 0.00 5.68 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 P 0.00 4.78 0.00 2.22 2.24 0.00 3.70 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.19 0.00 146 V 9.08 5.48 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 1.27 0.00 0.00 1.05 0.00 0.00 147 L 8.56 5.27 0.00 1.96 1.63 1.19 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 148 I 9.19 4.98 1.86 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 1.29 0.62 0.92 0.00 0.00 149 H 9.20 5.74 0.00 3.50 3.42 0.00 5.67 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 C 8.58 4.88 0.00 3.02 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 0.00 151 K 9.31 4.43 0.00 2.01 1.91 0.00 1.74 0.00 0.00 1.85 0.00 0.00 2.89 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.57 1.57 7.81 152 R 8.15 4.49 0.00 1.83 1.93 0.00 3.45 0.00 0.00 3.26 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 153 G 8.08 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 K 7.96 4.28 0.00 1.46 1.50 0.00 1.60 0.00 0.00 1.88 0.00 0.00 3.16 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.57 7.81 155 H 7.48 4.97 0.00 3.29 3.60 0.00 6.10 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 0.00 156 R 7.93 3.89 0.00 1.87 1.96 0.00 3.33 0.00 0.00 3.49 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.74 0.00 157 T 8.02 3.96 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 158 G 7.93 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 C 8.46 4.18 0.00 3.06 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 0.00 160 L 7.73 3.81 0.00 1.72 1.77 0.83 0.92 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 0.00 161 V 7.88 3.60 1.99 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 0.78 0.00 0.00 0.87 0.00 0.00 162 G 7.81 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 C 8.01 3.88 0.00 2.62 1.86 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 0.00 164 L 7.50 3.79 0.00 1.61 1.59 0.81 0.83 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 0.00 165 R 7.57 3.34 0.00 1.70 1.18 0.00 2.21 0.00 0.00 2.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.25 0.00 166 K 7.77 3.89 0.00 1.88 1.93 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.48 7.81 167 L 7.64 4.03 0.00 1.90 1.70 0.92 0.81 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 0.00 168 Q 7.66 4.24 0.00 1.92 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.70 0.00 0.00 0.00 0.00 0.00 2.33 2.52 0.00 169 K 8.04 3.91 0.00 2.00 1.98 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.59 7.81 170 W 8.02 4.81 0.00 3.26 3.11 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 0.00 171 C 8.35 4.38 0.00 3.11 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 0.00 172 L 8.45 3.37 0.00 1.42 0.71 0.91 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 173 T 7.77 4.22 4.23 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 1.25 0.00 0.00 174 S 7.97 4.21 0.00 4.01 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 I 8.41 3.92 1.74 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 1.63 0.91 0.94 0.00 0.00 176 F 8.82 4.68 0.00 3.06 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.40 4.48 0.00 3.03 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 0.00 178 E 8.41 4.08 0.00 2.44 2.35 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 2.60 2.61 0.00 179 Y 8.23 4.18 0.00 3.31 3.32 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 0.00 180 Q 9.03 3.91 0.00 2.29 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.52 0.00 0.00 0.00 0.00 0.00 2.70 2.71 0.00 181 R 7.82 3.71 0.00 1.79 1.91 0.00 2.82 0.00 0.00 2.95 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.43 0.00 182 F 7.32 4.44 0.00 2.81 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 0.00 183 A 7.71 3.90 0.97 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 0.00 184 A 8.70 3.34 1.18 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 0.00 185 A 8.86 4.06 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 0.00 186 K 7.91 4.38 0.00 1.97 1.95 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.56 7.81 187 A 8.25 4.15 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 R 8.72 4.76 0.00 2.25 2.05 0.00 2.95 0.00 0.00 3.02 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 189 V 8.20 3.53 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 0.97 0.00 0.00 0.90 0.00 0.00 190 S 8.27 4.07 0.00 3.84 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 0.00 191 D 8.06 4.34 0.00 2.44 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 Q 6.99 3.93 0.00 1.68 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.95 0.00 0.00 0.00 0.00 0.00 1.67 1.91 0.00 193 R 8.29 4.08 0.00 1.90 2.16 0.00 3.19 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 194 F 8.32 3.83 0.00 3.12 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *196 E 8.12 4.37 0.00 2.35 2.29 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 2.25 2.44 0.00 197 I 7.51 4.14 1.80 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 1.19 1.02 0.87 0.00 0.00 198 F 7.35 3.67 0.00 2.78 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 0.00 199 D 7.63 4.25 0.00 2.43 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 200 V 7.67 3.89 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 0.89 0.00 0.00 1.23 0.00 0.00 201 S 7.69 4.53 0.00 3.74 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 0.00 202 S 8.20 4.03 0.00 3.95 3.79 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 * Residues marked with a * may have inaccurate shift predictions.