NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3041 8.3344 116.7970 58.2075 63.9654 173.2742 3 L 4.3911 8.5502 126.7264 54.3551 42.5241 173.6134 4 R 5.0353 9.4145 126.4376 54.3419 33.4165 174.8572 5 I 4.5489 8.2127 123.9842 59.7809 40.0650 174.0982 6 L 4.9194 8.9506 130.7322 53.4944 44.8438 174.8568 7 I 4.7816 8.8379 128.5358 59.6055 39.2004 175.0272 8 V 5.1633 8.6587 127.2161 60.3697 34.2690 173.7453 9 D 4.7134 8.5109 126.5525 52.9148 44.1406 175.2214 10 D 4.5067 9.0434 124.5420 55.7012 41.5458 176.0878 11 E 4.5692 8.4378 120.3508 53.8009 31.3579 175.8312 12 K 3.8468 8.9233 127.4971 60.0461 32.1320 178.4585 13 L 4.0698 7.8711 118.3585 57.9470 41.5530 179.4745 14 T 4.0152 7.9697 115.9256 66.9371 68.3543 176.5317 15 R 3.9607 8.3431 119.7191 58.9027 29.9857 179.0335 16 D 4.5316 8.3881 117.4342 57.5195 40.8414 180.0684 17 G 3.5307 8.1414 105.8130 47.3316 0.0000 175.3134 18 L 4.1571 7.8739 122.7337 58.2988 42.2373 178.8509 19 I 4.1994 8.6612 120.0862 64.7393 36.8814 178.0937 20 A 4.1543 8.6480 120.6761 55.0388 18.2273 178.4615 21 N 4.8433 8.1263 111.8368 52.3802 39.0322 174.9184 22 I 3.8559 7.3585 122.7369 59.3266 38.0822 176.4893 23 N 4.6514 7.9905 126.0893 52.4356 36.5774 175.2200 24 W 4.3874 8.0035 120.1857 58.0962 29.9345 177.4255 25 K 3.9634 8.1506 120.0190 59.8218 31.7711 178.9684 26 A 4.3853 8.0471 118.2225 52.3080 17.5816 176.5226 27 L 4.7962 7.5639 117.7775 54.8567 45.8173 176.7047 28 S 4.3787 8.2022 114.0279 59.8485 63.3606 174.9659 29 F 4.2630 6.8971 117.4818 56.6714 39.0713 175.1163 30 D 4.7504 10.0219 126.2121 56.5158 42.0214 177.3062 31 Q 4.5268 7.9478 116.2959 54.4224 33.3991 173.8064 32 I 4.5763 8.1660 124.2187 59.6912 39.1124 174.7777 33 D 5.0595 8.4032 125.9199 52.7739 44.7547 174.6830 34 Q 5.3103 7.8205 117.0994 55.7508 31.6906 173.1133 35 A 5.1103 7.8247 134.3559 52.5451 20.4010 176.8599 36 D 5.3258 8.3332 122.0190 53.4260 41.1702 175.8079 37 D 4.6764 7.6424 118.4186 50.4457 42.6383 176.0424 38 G 3.7859 8.8513 106.9052 47.9497 0.0000 175.9004 39 I 3.8159 7.7101 114.5139 63.8577 38.2293 177.6496 40 N 4.4866 8.9948 119.2108 55.8750 38.5943 176.5411 41 A 3.9565 7.8669 122.3936 55.2271 18.5362 179.4480 42 I 3.6674 7.7821 117.8918 64.6383 37.0338 178.1735 43 Q 3.9733 8.2693 119.4096 59.5458 28.9453 178.7690 44 I 3.9391 7.6332 119.5930 64.2592 37.1759 178.0185 45 A 3.8779 8.2382 120.5777 55.2234 18.1179 179.2478 46 L 4.3633 7.8555 117.8706 56.2299 41.8179 178.0116 47 K 4.3578 7.8472 116.4655 57.3274 33.5172 176.1403 48 H 4.7974 8.5536 115.8095 51.8952 28.9894 169.6430 49 P 3.6387 0.0000 0.0000 62.3366 31.4366 175.3787 50 P 4.6142 0.0000 0.0000 61.9942 32.9654 175.0363 51 N 4.8810 9.1934 115.9439 53.6254 41.1171 175.0148 52 V 5.0351 7.6827 117.9621 60.9380 35.4225 173.4707 53 L 5.0659 9.0469 129.7473 53.1442 44.4878 174.4925 54 L 5.1131 8.7176 128.3470 53.5743 44.8244 174.8858 55 T 5.1241 8.5069 119.3664 61.1281 71.0788 172.0262 56 D 4.9011 8.7449 127.0277 54.4544 42.2117 176.6211 57 V 3.7115 8.8745 126.8482 65.9639 32.1896 175.6505 58 R 4.7872 7.7615 118.3037 55.2989 30.9664 175.8685 59 M 4.8736 8.1345 121.0096 52.5742 35.7592 172.4786 60 P 3.9789 0.0000 0.0000 66.6632 31.4573 177.5394 61 R 3.9888 8.2311 124.5867 57.3995 30.9753 176.1671 62 M 4.5062 6.9136 115.3028 55.9260 35.1650 174.0837 63 D 4.7314 7.8966 126.2236 52.1939 41.2660 177.8572 64 G 4.2397 9.5651 110.2838 47.9221 0.0000 175.9690 65 I 3.8588 7.2561 122.7902 64.1415 37.2095 178.2148 66 E 3.9494 8.3331 119.9754 59.0125 29.4033 178.3095 67 L 3.9316 7.9446 119.9315 58.4832 42.2286 179.1124 68 V 3.5812 8.4669 118.0269 65.9278 31.1163 177.6221 69 D 4.4727 7.6059 117.9658 56.9558 40.9901 178.2020 70 N 4.4922 8.0718 116.6361 56.3097 38.6467 177.3580 71 I 3.7847 8.0081 121.3974 64.6224 37.1014 178.4995 72 L 4.1690 8.0753 118.9823 57.0132 41.1271 179.2422 73 K 4.1000 7.7730 119.2834 58.5735 32.3483 177.8979 74 L 4.1136 7.6011 117.3049 55.3299 42.9270 177.1658 75 Y 5.0200 7.3268 115.8932 55.6623 39.7623 173.1923 76 P 4.4767 0.0000 0.0000 64.4513 31.6308 177.7158 77 D 4.6295 7.9084 116.2199 54.4844 41.8174 176.0218 78 C 4.3362 8.2404 121.1481 60.0538 31.9498 173.1131 79 S 4.8034 8.8429 121.1604 57.2674 64.7432 173.4557 80 V 4.9678 8.2605 114.7574 59.6877 35.2111 174.3695 81 I 4.8663 10.3469 124.3576 59.5532 40.3887 174.4680 82 F 5.5411 8.7949 124.0182 56.1162 42.1473 174.1455 83 M 5.1022 9.4881 124.0081 54.6127 33.2323 175.2509 84 S 4.0356 8.9436 116.8167 59.7521 64.7320 174.4067 85 G 3.7481 8.9937 113.8059 45.7602 0.0000 170.2389 86 Y 3.7299 10.1584 123.9913 57.5718 39.0308 173.1530 87 S 3.2510 6.3354 113.3938 59.4347 65.2945 174.8736 88 D 4.9065 7.4580 118.7848 52.6322 40.0263 178.2810 89 K 3.7335 7.7373 123.5055 60.1996 32.4935 177.1185 90 E 3.9063 8.1743 118.8112 59.3543 29.4380 176.6990 91 Y 4.2069 7.2929 118.8376 57.5659 37.7610 177.2318 92 L 3.0249 7.2869 128.6172 55.2809 41.4250 175.9157 *99 R 4.2067 8.6374 120.6698 56.8848 31.4676 175.5866 100 A 4.2818 7.4546 116.9854 52.0082 19.9092 174.9724 101 I 4.6743 8.3351 121.5171 60.3781 40.6116 175.7006 102 R 4.7717 7.9455 120.5365 55.7636 31.9339 175.3245 103 Y 5.4598 7.8829 118.1434 56.0107 41.7147 174.0928 104 V 4.4922 9.3239 120.0056 61.1045 34.6676 174.0912 105 E 4.8017 9.0588 129.2128 55.8612 30.3291 176.3312 106 K 4.5937 8.8219 125.9170 55.3139 33.3926 174.9708 107 P 4.3952 0.0000 0.0000 62.2163 31.8524 176.4543 108 I 3.7540 8.4835 124.4796 61.5936 37.8042 174.7691 109 D 4.9910 8.4284 123.8437 50.8367 41.3911 175.6405 110 P 4.4779 0.0000 0.0000 65.6255 31.2342 178.8347 111 S 4.0732 7.9811 111.8051 61.2380 62.3731 175.8457 112 E 4.0032 8.6041 121.6728 59.1178 29.2888 179.0408 113 I 3.6228 7.7023 119.3177 64.6763 37.3717 177.6222 114 M 3.7624 8.2018 119.2877 59.0619 31.9424 177.8234 115 D 4.2752 8.0913 118.2891 57.5190 41.0890 178.5041 116 A 4.0208 7.9097 120.8174 55.3938 18.2566 179.5690 117 L 4.0333 8.3034 117.5738 58.0147 41.6569 180.0208 118 K 3.9136 7.9411 118.0454 59.5027 32.0850 179.4453 119 Q 3.9765 8.5707 118.6326 59.0919 28.6446 179.0495 120 S 4.1469 8.5679 116.4315 61.8505 62.8665 176.9731 121 I 3.6696 8.0191 122.5909 64.1821 36.7606 178.2247 122 Q 3.9223 8.4237 120.9721 59.3459 28.9426 178.5716 123 T 3.8409 7.8033 116.5017 66.6259 68.3279 176.6344 124 V 3.6055 7.4177 118.5584 66.7682 31.3377 177.4147 125 L 4.0805 8.6114 119.1842 56.6493 40.8753 180.2145 126 Q 3.8552 8.3498 117.5818 58.9484 28.7814 179.3479 127 H 4.1427 7.8814 116.4840 57.7168 30.2780 176.4696 128 Q 4.1243 9.3575 121.9709 58.6901 29.4140 176.6736 129 A 4.5207 7.3533 123.8867 52.0226 17.0660 176.9841 130 Q 4.3819 8.6612 115.6580 57.1009 29.7448 177.0012 131 Q 3.5657 8.1257 122.6372 56.5470 28.9692 174.2386 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 2 S 8.33 4.30 0.00 3.89 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.55 4.39 0.00 1.88 1.75 0.93 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 4 R 9.41 5.04 0.00 1.77 1.77 0.00 3.43 0.00 0.00 3.33 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 5 I 8.21 4.55 0.57 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 0.93 1.25 0.43 0.00 0.00 6 L 8.95 4.92 0.00 1.67 1.56 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.84 4.78 1.93 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 1.12 0.83 0.92 0.00 0.00 8 V 8.66 5.16 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 0.88 0.00 0.00 0.92 0.00 0.00 9 D 8.51 4.71 0.00 2.81 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 10 D 9.04 4.51 0.00 2.68 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 11 E 8.44 4.57 0.00 2.03 1.78 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 2.21 2.21 0.00 12 K 8.92 3.85 0.00 1.85 1.81 0.00 1.77 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.55 7.81 13 L 7.87 4.07 0.00 1.78 1.71 0.92 0.78 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 14 T 7.97 4.02 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 15 R 8.34 3.96 0.00 2.01 1.89 0.00 3.14 0.00 0.00 3.32 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 16 D 8.39 4.53 0.00 3.01 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 17 G 8.14 3.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 L 7.87 4.16 0.00 2.01 1.81 0.97 1.17 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 19 I 8.66 4.20 2.11 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.43 0.80 0.00 0.00 20 A 8.65 4.15 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 21 N 8.13 4.84 0.00 2.96 2.86 0.00 0.00 6.95 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 22 I 7.36 3.86 0.56 0.00 0.00 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 0.87 0.90 -0.84 0.00 0.00 23 N 7.99 4.65 0.00 2.73 2.61 0.00 0.00 7.17 7.95 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 24 W 8.00 4.39 0.00 3.36 3.40 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 25 K 8.15 3.96 0.00 1.92 1.94 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.44 7.81 26 A 8.05 4.39 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 27 L 7.56 4.80 0.00 1.65 1.34 0.96 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 28 S 8.20 4.38 0.00 3.61 3.81 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 29 F 6.90 4.26 0.00 3.38 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 30 D 10.02 4.75 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 31 Q 7.95 4.53 0.00 1.91 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.89 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 32 I 8.17 4.58 1.44 0.00 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.20 -0.04 0.52 0.00 0.00 33 D 8.40 5.06 0.00 2.68 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 34 Q 7.82 5.31 0.00 1.96 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.24 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 35 A 7.82 5.11 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 36 D 8.33 5.33 0.00 2.82 2.90 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 37 D 7.64 4.68 0.00 2.79 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 38 G 8.85 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 0.00 0.00 0.00 39 I 7.71 3.82 1.88 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 1.53 1.21 0.91 0.00 0.00 40 N 8.99 4.49 0.00 2.81 2.99 0.00 0.00 7.15 8.34 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 41 A 7.87 3.96 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 42 I 7.78 3.67 2.00 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 1.44 0.54 0.94 0.00 0.00 43 Q 8.27 3.97 0.00 2.07 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.98 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 44 I 7.63 3.94 2.02 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 1.47 0.69 0.93 0.00 0.00 45 A 8.24 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 46 L 7.86 4.36 0.00 1.69 1.78 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 47 K 7.85 4.36 0.00 1.64 1.66 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.42 7.81 48 H 8.55 4.80 0.00 3.03 3.14 0.00 5.68 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 3.64 0.00 1.88 1.62 0.00 3.79 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 1.95 2.00 0.00 50 P 0.00 4.61 0.00 2.13 1.99 0.00 2.81 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.88 0.00 51 N 9.19 4.88 0.00 2.90 2.91 0.00 0.00 6.68 7.57 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 52 V 7.68 5.04 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 1.13 0.00 0.00 1.18 0.00 0.00 53 L 9.05 5.07 0.00 1.65 1.36 0.83 0.22 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 54 L 8.72 5.11 0.00 1.76 1.46 0.99 0.62 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 55 T 8.51 5.12 4.19 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 1.06 0.00 0.00 56 D 8.74 4.90 0.00 3.03 2.56 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 0.00 0.00 0.00 0.00 57 V 8.87 3.71 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 0.55 0.00 0.00 0.75 0.00 0.00 58 R 7.76 4.79 0.00 1.79 1.80 0.00 3.12 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.74 0.00 59 M 8.13 4.87 0.00 1.94 2.12 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.55 0.00 60 P 0.00 3.98 0.00 2.17 1.91 0.00 3.59 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 61 R 8.23 3.99 0.00 1.77 1.94 0.00 3.32 0.00 0.00 3.15 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 62 M 6.91 4.51 0.00 2.03 1.97 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 63 D 7.90 4.73 0.00 3.14 2.97 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 64 G 9.57 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 0.00 0.00 0.00 65 I 7.26 3.86 1.85 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 1.18 0.47 0.85 0.00 0.00 66 E 8.33 3.95 0.00 2.04 1.94 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 2.32 2.32 0.00 67 L 7.94 3.93 0.00 1.82 1.90 0.99 0.88 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 68 V 8.47 3.58 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 0.99 0.00 0.00 0.86 0.00 0.00 69 D 7.61 4.47 0.00 2.88 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 70 N 8.07 4.49 0.00 2.93 2.87 0.00 0.00 6.95 7.43 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 71 I 8.01 3.78 2.03 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 1.59 0.87 1.00 0.00 0.00 72 L 8.08 4.17 0.00 1.79 1.75 0.97 0.70 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 73 K 7.77 4.10 0.00 1.97 1.85 0.00 1.79 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.46 7.81 74 L 7.60 4.11 0.00 0.78 0.83 0.95 0.68 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 75 Y 7.33 5.02 0.00 3.01 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 76 P 0.00 4.48 0.00 2.20 2.24 0.00 3.38 0.00 0.00 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.00 0.00 77 D 7.91 4.63 0.00 2.72 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 78 C 8.24 4.34 0.00 2.99 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 79 S 8.84 4.80 0.00 3.96 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 80 V 8.26 4.97 1.81 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 0.79 0.00 0.00 0.75 0.00 0.00 81 I 10.35 4.87 1.89 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 1.24 0.86 0.97 0.00 0.00 82 F 8.79 5.54 0.00 3.31 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 M 9.49 5.10 0.00 2.00 2.21 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.55 0.00 84 S 8.94 4.04 0.00 3.66 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 85 G 8.99 3.75 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 0.00 0.00 0.00 86 Y 10.16 3.73 0.00 3.16 2.91 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 87 S 6.34 3.25 0.00 3.84 3.74 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 88 D 7.46 4.91 0.00 2.75 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 89 K 7.74 3.73 0.00 1.65 1.81 0.00 1.93 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.41 1.24 7.81 90 E 8.17 3.91 0.00 1.83 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 2.24 2.34 0.00 91 Y 7.29 4.21 0.00 2.99 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 92 L 7.29 3.02 0.00 1.24 1.23 0.81 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 *99 R 8.64 4.21 0.00 1.79 2.02 0.00 3.34 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.73 0.00 100 A 7.45 4.28 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 0.00 101 I 8.34 4.67 2.19 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.65 1.35 0.00 0.00 102 R 7.95 4.77 0.00 1.79 1.86 0.00 3.26 0.00 0.00 3.20 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 103 Y 7.88 5.46 0.00 3.17 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 0.00 104 V 9.32 4.49 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 0.97 0.00 0.00 0.98 0.00 0.00 105 E 9.06 4.80 0.00 2.20 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 2.38 2.51 0.00 106 K 8.82 4.59 0.00 1.74 1.77 0.00 1.84 0.00 0.00 1.79 0.00 0.00 3.16 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.49 1.49 7.81 107 P 0.00 4.40 0.00 2.19 2.09 0.00 3.80 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 2.00 1.99 0.00 108 I 8.48 3.75 1.90 0.00 0.00 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 1.51 0.85 0.94 0.00 0.00 109 D 8.43 4.99 0.00 2.80 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 0.00 110 P 0.00 4.48 0.00 2.16 2.13 0.00 3.60 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 111 S 7.98 4.07 0.00 3.87 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 0.00 112 E 8.60 4.00 0.00 2.07 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 2.32 2.92 0.00 113 I 7.70 3.62 1.85 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 1.54 0.56 0.88 0.00 0.00 114 M 8.20 3.76 0.00 2.18 2.06 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.58 0.00 115 D 8.09 4.28 0.00 2.95 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 0.00 116 A 7.91 4.02 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 0.00 117 L 8.30 4.03 0.00 1.80 1.89 0.72 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 118 K 7.94 3.91 0.00 1.96 1.81 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.60 7.81 119 Q 8.57 3.98 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 120 S 8.57 4.15 0.00 4.10 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 0.00 121 I 8.02 3.67 1.72 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.14 0.69 0.00 0.00 122 Q 8.42 3.92 0.00 2.11 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.46 2.39 0.00 123 T 7.80 3.84 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 124 V 7.42 3.61 2.19 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 0.85 0.00 0.00 0.98 0.00 0.00 125 L 8.61 4.08 0.00 1.77 1.58 0.85 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 126 Q 8.35 3.86 0.00 2.38 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 127 H 7.88 4.14 0.00 3.18 3.59 0.00 5.95 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 Q 9.36 4.12 0.00 2.55 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.98 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 129 A 7.35 4.52 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 0.00 130 Q 8.66 4.38 0.00 1.91 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 5.89 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 131 Q 8.13 3.57 0.00 2.10 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.65 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 * Residues marked with a * may have inaccurate shift predictions.