NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9888 8.2127 108.0247 44.7733 0.0000 172.9549 3 E 4.7656 8.1360 120.8385 53.8945 32.1400 173.5471 4 Q 4.8549 9.2286 128.1267 53.3829 31.3777 173.0943 5 P 4.2640 0.0000 0.0000 63.1897 31.6853 175.1072 6 I 4.4493 8.1989 123.0115 62.3893 39.5725 175.7732 7 F 4.9955 7.8475 122.5378 56.9163 42.9539 172.8452 8 S 5.0599 7.8274 120.0703 57.3186 66.9167 172.9592 9 T 4.6343 9.0278 117.2862 61.0313 71.3404 172.0542 10 R 5.2074 8.2566 118.9675 54.7519 33.9473 174.7573 11 A 4.2887 8.3933 121.3460 51.6674 23.4115 175.0023 12 H 4.6658 8.6471 116.8768 55.0937 30.5637 174.9281 13 V 4.8464 8.1493 122.1287 61.4071 34.0023 174.4564 14 F 5.4826 9.4622 124.3632 56.2245 44.0471 173.4379 15 Q 5.2545 9.4804 118.4438 54.1767 32.9564 175.0267 16 I 3.8569 8.1214 122.7988 60.2520 39.1834 175.2870 17 D 4.3313 8.6084 127.9435 52.9492 39.6169 175.3217 18 P 4.1248 0.0000 0.0000 65.7245 31.7405 177.1990 19 N 4.4063 8.2929 115.1508 56.3638 38.8341 175.3691 20 T 4.4221 8.1513 103.9623 60.0181 69.9906 173.5936 21 K 3.7857 8.1443 120.5076 57.8303 30.1418 176.4189 22 K 4.2260 8.7497 117.4168 56.7097 35.0303 176.8838 23 N 4.6656 7.9250 116.0953 51.9456 40.1527 174.5985 24 W 4.7328 8.5986 123.4894 56.0359 30.5669 175.7290 25 V 4.5782 9.0751 124.7393 60.3855 33.3974 173.1079 26 P 4.3887 0.0000 0.0000 63.1847 31.3547 176.2593 27 T 4.5993 8.7124 119.8731 63.4946 70.5580 174.9703 28 S 4.8512 7.6731 114.1229 56.1241 65.7619 173.7920 29 K 4.0410 7.9408 122.3595 58.1377 32.3613 176.1230 30 H 5.0099 7.6914 113.5978 53.2641 31.7876 174.0151 31 A 4.0194 8.2193 121.1985 52.1815 19.1126 177.1061 32 V 4.5212 8.6232 113.5554 59.4178 36.6860 174.8977 33 T 4.5714 8.3997 118.5033 63.5879 69.1742 174.6513 34 V 4.6417 9.0117 126.1807 61.3131 34.4835 174.5121 35 S 5.3051 9.2002 122.3301 57.2203 68.0971 172.1257 36 Y 5.1681 9.3124 119.2914 56.5448 40.0569 175.1696 37 F 5.3358 9.3687 122.3309 55.7773 43.4685 173.3648 38 Y 4.4473 9.0923 123.6590 55.9085 40.7674 173.9834 39 D 4.9116 8.2308 128.4787 52.9688 41.7295 176.6731 40 S 4.0198 8.4393 121.7554 59.8869 63.8423 176.7299 41 T 4.0032 7.9932 116.9218 65.6577 68.4185 175.1345 42 R 4.3075 7.8853 117.2233 54.6435 32.1800 174.6319 43 N 3.9345 7.7236 115.5074 53.7965 37.5022 173.2440 44 V 4.5901 6.2867 110.3168 60.5436 37.1276 174.8270 45 Y 4.7413 8.6492 120.0482 57.2843 39.9299 174.8485 46 R 5.1651 9.2939 120.9650 54.6065 34.8701 174.3162 47 I 4.7467 8.8570 123.7625 59.9973 39.1264 174.7774 48 I 5.1643 8.9283 128.1287 59.6029 40.9656 174.7695 49 S 5.0250 9.0960 120.2550 56.9475 66.0217 172.5660 50 L 5.1968 8.6492 125.9125 52.9450 45.1352 175.6607 51 D 4.7096 9.2133 122.6593 53.1458 42.7659 176.5930 52 G 3.8008 8.2149 119.0555 47.2356 0.0000 173.2190 53 S 4.5589 8.8657 118.6613 57.2971 63.1785 173.1136 54 K 4.3002 8.0378 123.3253 54.5901 32.5847 175.3744 55 A 4.5304 8.6399 130.6310 52.4208 18.5593 176.5161 56 I 4.5323 8.8443 116.5300 61.0252 39.5472 176.0858 57 I 4.4416 7.4860 123.6958 59.5472 41.3556 174.7027 58 N 5.5992 8.3541 124.4391 52.5909 38.8468 173.0571 59 S 5.0711 8.9668 116.3653 56.2911 64.5009 173.7576 60 T 4.6496 8.6511 124.8154 63.5383 69.1246 174.3276 61 I 4.2424 8.5489 128.1807 60.8587 38.0913 175.6841 62 T 4.7421 8.4681 116.5191 58.6131 71.4143 173.0811 63 P 4.2269 0.0000 0.0000 65.3240 30.9542 175.8149 64 N 4.7035 7.4575 115.3036 51.2512 38.6377 173.0957 *66 T 4.2370 7.8697 116.4669 61.5830 68.5678 172.0364 67 F 4.6277 8.3001 130.1256 56.9353 40.7605 174.6312 68 T 4.5315 8.2807 122.8575 61.4480 71.2786 173.5498 69 K 4.3146 8.6117 125.9247 56.5785 32.3716 177.0501 70 T 4.4706 9.0053 121.1400 64.1542 70.0123 173.9546 71 S 4.5852 7.4413 113.7735 57.5952 65.4098 174.2445 72 Q 4.0471 8.6721 117.3999 57.8086 28.8192 177.1215 73 K 4.8347 7.9831 115.0756 55.3742 35.2214 175.5011 74 F 5.4705 8.7790 123.1174 56.4528 42.7746 173.9243 75 G 4.1879 7.8669 110.8611 44.8795 0.0000 170.9831 76 Q 5.2856 8.1922 117.8998 54.7304 32.8573 173.5185 77 W 5.7033 9.2146 114.6267 55.8690 31.7903 173.4236 78 A 4.9070 8.9177 123.7652 51.3441 19.4849 176.2446 79 D 4.9616 9.0424 121.1112 52.8030 43.7156 176.7664 80 S 4.4030 9.0851 122.8191 60.9743 63.5865 176.8851 81 R 3.9893 8.4323 116.1322 58.6951 29.3156 177.2313 82 A 4.3232 8.9082 119.0604 50.9556 20.0357 175.8410 83 N 4.1200 7.4440 112.3261 53.9506 37.6783 171.3933 84 T 4.4197 7.8180 112.8179 61.4855 71.9950 172.2735 85 V 4.5471 7.8233 119.7228 61.5307 34.8436 174.5682 86 Y 5.0269 8.4983 125.9065 56.6578 40.0423 174.8946 87 G 4.2322 9.3527 109.4223 44.3124 0.0000 171.4321 88 L 5.2578 8.4518 123.1712 52.5516 45.5672 175.6049 89 G 4.5060 9.3147 111.8146 44.7807 0.0000 172.8052 90 F 5.2613 9.4562 125.5616 55.9052 40.4754 176.8572 91 S 4.4250 9.0403 115.1846 60.8403 63.7077 174.8513 92 S 4.7621 7.9112 114.8346 55.7420 66.8549 174.5454 93 E 4.7886 8.7660 122.9158 59.7164 29.1753 179.0241 94 H 4.1220 8.1610 116.4923 58.9887 28.7796 177.3147 95 H 4.3388 7.8397 117.4952 58.4992 28.5799 177.6020 96 L 2.6123 7.5521 121.9430 57.7186 42.0666 178.8348 97 S 4.0351 8.4080 113.4078 61.4067 62.3391 176.1717 98 K 3.8917 8.0640 122.2050 59.2480 31.9610 178.5551 99 F 3.8984 8.1405 120.8004 61.2439 39.4073 177.0028 100 A 3.5027 7.9244 120.2996 54.7364 18.2202 179.3185 101 E 3.6525 7.6725 117.4754 59.3561 29.8752 179.1866 102 K 2.9392 7.2062 118.3382 58.7078 31.6829 178.8897 103 F 3.4260 7.2773 120.8537 61.2725 39.0903 176.9210 104 Q 3.9257 7.6365 118.3798 59.1131 28.6239 178.0618 105 E 3.7852 7.2305 118.9398 59.4510 29.3909 179.1722 106 F 4.0671 6.3572 115.5142 58.7303 38.9195 177.6578 107 K 3.9101 7.3590 120.5507 59.2984 31.7958 178.5771 108 E 3.9473 7.6540 118.0072 59.2708 29.4526 178.7876 109 A 4.1614 7.6144 119.8186 54.9506 18.4676 179.2867 110 A 4.1760 7.5664 118.8056 55.2853 18.6319 178.0440 111 R 4.1601 7.7126 120.2436 56.8370 30.3136 175.9988 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 G 8.21 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 3 E 8.14 4.77 0.00 1.91 1.75 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 2.16 2.26 0.00 4 Q 9.23 4.85 0.00 2.25 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 5 P 0.00 4.26 0.00 2.04 2.26 0.00 3.80 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 2.03 2.08 0.00 6 I 8.20 4.45 2.01 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 1.30 0.97 1.00 0.00 0.00 7 F 7.85 5.00 0.00 3.22 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 8 S 7.83 5.06 0.00 3.57 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 T 9.03 4.63 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 10 R 8.26 5.21 0.00 1.66 1.72 0.00 3.43 0.00 0.00 3.20 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.52 0.00 11 A 8.39 4.29 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.65 4.67 0.00 3.26 3.01 0.00 5.78 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 8.15 4.85 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 1.04 0.00 0.00 0.87 0.00 0.00 14 F 9.46 5.48 0.00 3.20 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 9.48 5.25 0.00 1.97 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.96 0.00 0.00 0.00 0.00 0.00 1.93 2.38 0.00 16 I 8.12 3.86 1.19 0.00 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.11 0.66 0.00 0.00 17 D 8.61 4.33 0.00 2.66 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 18 P 0.00 4.12 0.00 2.01 2.12 0.00 3.63 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 1.99 2.03 0.00 19 N 8.29 4.41 0.00 2.62 2.79 0.00 0.00 6.74 7.70 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 20 T 8.15 4.42 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 1.16 0.00 0.00 21 K 8.14 3.79 0.00 1.81 1.77 0.00 1.58 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.26 1.30 7.81 22 K 8.75 4.23 0.00 1.52 1.68 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.26 1.47 7.81 23 N 7.92 4.67 0.00 2.54 2.68 0.00 0.00 7.16 7.68 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 24 W 8.60 4.73 0.00 3.05 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 25 V 9.08 4.58 2.30 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 1.13 0.00 0.00 0.95 0.00 0.00 26 P 0.00 4.39 0.00 1.93 1.79 0.00 3.78 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.39 0.00 27 T 8.71 4.60 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 28 S 7.67 4.85 0.00 3.89 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 29 K 7.94 4.04 0.00 1.72 1.75 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.26 1.33 7.81 30 H 7.69 5.01 0.00 2.99 3.09 0.00 5.75 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 A 8.22 4.02 1.13 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 0.00 0.00 32 V 8.62 4.52 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.92 0.00 0.00 33 T 8.40 4.57 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 34 V 9.01 4.64 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 1.07 0.00 0.00 0.85 0.00 0.00 35 S 9.20 5.31 0.00 3.73 3.57 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 36 Y 9.31 5.17 0.00 2.96 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.37 5.34 0.00 3.01 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 38 Y 9.09 4.45 0.00 2.55 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 39 D 8.23 4.91 0.00 2.54 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 S 8.44 4.02 0.00 3.98 4.12 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 0.00 0.00 0.00 0.00 41 T 7.99 4.00 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 1.16 0.00 0.00 42 R 7.89 4.31 0.00 1.63 1.85 0.00 3.42 0.00 0.00 3.11 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.43 0.00 43 N 7.72 3.93 0.00 2.82 2.80 0.00 0.00 6.93 7.28 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 44 V 6.29 4.59 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 0.69 0.00 0.00 0.82 0.00 0.00 45 Y 8.65 4.74 0.00 3.01 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 46 R 9.29 5.17 0.00 1.76 1.83 0.00 3.04 0.00 0.00 3.15 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 47 I 8.86 4.75 1.98 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.72 0.99 0.00 0.00 48 I 8.93 5.16 2.23 0.00 0.00 0.62 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 0.87 0.93 0.00 0.00 49 S 9.10 5.03 0.00 3.89 3.64 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 50 L 8.65 5.20 0.00 1.53 1.62 0.91 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 51 D 9.21 4.71 0.00 2.58 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 0.00 0.00 0.00 0.00 52 G 8.21 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 53 S 8.87 4.56 0.00 3.97 3.94 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 54 K 8.04 4.30 0.00 1.80 1.91 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.36 7.81 55 A 8.64 4.53 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 I 8.84 4.53 1.91 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 1.34 0.75 0.99 0.00 0.00 57 I 7.49 4.44 1.92 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 0.98 0.72 0.73 0.00 0.00 58 N 8.35 5.60 0.00 2.71 2.73 0.00 0.00 7.00 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 59 S 8.97 5.07 0.00 4.25 4.13 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 60 T 8.65 4.65 4.32 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 1.30 0.00 0.00 61 I 8.55 4.24 1.89 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.42 0.71 0.00 0.00 62 T 8.47 4.74 4.31 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 1.29 0.00 0.00 63 P 0.00 4.23 0.00 2.23 2.29 0.00 3.77 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 2.04 2.06 0.00 64 N 7.46 4.70 0.00 2.91 2.87 0.00 0.00 6.91 7.42 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 *66 T 7.87 4.24 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 67 F 8.30 4.63 0.00 1.51 2.30 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 68 T 8.28 4.53 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 1.17 0.00 0.00 69 K 8.61 4.31 0.00 1.65 1.77 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.59 1.56 7.81 70 T 9.01 4.47 4.60 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 1.37 0.00 0.00 71 S 7.44 4.59 0.00 3.98 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 72 Q 8.67 4.05 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.77 0.00 0.00 0.00 0.00 0.00 2.46 2.34 0.00 73 K 7.98 4.83 0.00 1.63 2.13 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.82 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.42 7.81 74 F 8.78 5.47 0.00 3.02 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.87 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 0.00 0.00 0.00 0.00 76 Q 8.19 5.29 0.00 2.33 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.61 0.00 0.00 0.00 0.00 0.00 2.16 2.28 0.00 77 W 9.21 5.70 0.00 3.72 3.37 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 78 A 8.92 4.91 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 79 D 9.04 4.96 0.00 3.09 2.65 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 80 S 9.09 4.40 0.00 4.01 3.94 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 81 R 8.43 3.99 0.00 1.99 2.14 0.00 3.11 0.00 0.00 3.43 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.85 0.00 82 A 8.91 4.32 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 N 7.44 4.12 0.00 2.86 2.81 0.00 0.00 6.84 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 T 7.82 4.42 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 0.48 0.00 0.00 85 V 7.82 4.55 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 1.09 0.00 0.00 0.85 0.00 0.00 86 Y 8.50 5.03 0.00 1.43 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 0.00 0.00 0.00 87 G 9.35 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 0.00 0.00 0.00 0.00 88 L 8.45 5.26 0.00 1.57 0.97 0.59 0.66 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 89 G 9.31 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 F 9.46 5.26 0.00 3.05 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 91 S 9.04 4.42 0.00 4.08 4.10 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 0.00 0.00 0.00 92 S 7.91 4.76 0.00 4.07 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 93 E 8.77 4.79 0.00 2.17 2.38 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 2.38 2.27 0.00 94 H 8.16 4.12 0.00 3.08 3.31 0.00 5.62 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 95 H 7.84 4.34 0.00 3.44 3.48 0.00 5.62 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 L 7.55 2.61 0.00 1.77 1.75 1.25 0.99 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 97 S 8.41 4.04 0.00 3.87 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 98 K 8.06 3.89 0.00 2.06 1.90 0.00 1.51 0.00 0.00 1.60 0.00 0.00 2.98 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.68 1.51 7.81 99 F 8.14 3.90 0.00 3.14 2.82 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 0.00 100 A 7.92 3.50 1.45 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 0.00 0.00 0.00 101 E 7.67 3.65 0.00 2.00 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 2.02 2.16 0.00 102 K 7.21 2.94 0.00 0.92 0.74 0.00 1.15 0.00 0.00 1.06 0.00 0.00 2.61 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.79 0.21 7.81 103 F 7.28 3.43 0.00 2.72 2.85 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 0.00 0.00 0.00 104 Q 7.64 3.93 0.00 2.16 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.56 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 105 E 7.23 3.79 0.00 1.16 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 1.96 2.06 0.00 106 F 6.36 4.07 0.00 2.61 2.11 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 0.00 107 K 7.36 3.91 0.00 1.80 1.92 0.00 1.86 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.45 1.67 7.81 108 E 7.65 3.95 0.00 1.99 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 2.29 2.49 0.00 109 A 7.61 4.16 1.46 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 0.00 110 A 7.57 4.18 1.48 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 0.00 0.00 0.00 111 R 7.71 4.16 0.00 1.87 2.02 0.00 3.31 0.00 0.00 3.27 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 * Residues marked with a * may have inaccurate shift predictions.