NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 H 4.7263 8.3033 120.6516 55.3224 32.7284 172.1857 7 I 4.7514 7.7937 118.5450 58.5896 39.5544 173.1849 8 R 4.5843 9.7832 129.2367 54.4860 32.8435 174.1682 9 L 5.1236 8.4261 125.4137 53.0949 43.9908 175.9211 10 R 4.7135 8.7178 122.0614 53.7357 34.7015 174.6055 11 K 4.3272 8.5223 122.6014 56.1439 32.9212 176.2210 12 A 4.1798 8.6119 131.1203 51.4089 18.6372 177.0228 13 E 4.1023 9.0249 121.8379 57.2681 30.9310 178.4569 14 G 3.8015 8.7168 109.7819 44.5998 0.0000 171.2288 15 K 4.7005 8.4495 120.1696 55.2236 33.8055 176.7068 16 W 5.1323 9.4525 127.7023 54.9177 32.1452 174.9770 17 V 5.0930 9.1610 123.6091 61.1367 34.7254 173.8683 18 I 4.9114 8.5199 126.5586 59.0963 40.7656 174.4021 19 R 4.8234 8.7994 124.7047 55.6822 33.5728 173.5057 20 T 4.7299 8.0076 110.3608 59.8815 71.1611 174.0108 21 D 4.5803 8.7852 119.6133 55.0434 39.6603 176.5166 22 S 4.5897 8.2166 111.7110 57.6325 64.8433 173.4763 23 A 4.5294 7.5090 122.8470 51.0208 21.8271 174.9888 24 V 4.4007 8.1669 120.0837 61.6504 32.3854 175.7646 25 L 4.4314 8.2740 127.3831 55.8234 43.2601 176.7573 26 G 4.2731 7.2520 102.6230 44.6964 0.0000 172.3416 27 E 5.4418 8.8873 122.0412 54.7061 33.0563 175.0436 28 T 4.7453 9.2605 117.5390 60.8513 71.3066 173.9209 29 L 4.8961 8.6798 125.2580 54.9113 42.2573 176.3373 30 N 5.0619 7.8579 115.8165 52.6594 39.8835 174.6052 31 A 4.2309 7.9863 119.0908 52.1124 20.1149 177.2740 32 I 4.6617 8.5069 121.1680 59.3897 40.3035 174.2617 33 E 4.7440 9.1886 128.4017 54.6252 31.3571 174.0895 34 L 5.0356 8.9153 129.6408 53.6909 44.4848 174.8495 35 T 4.8112 8.8132 123.4036 61.6732 71.5966 172.7397 36 E 4.6978 8.9079 127.6640 54.4773 31.7303 177.6731 37 G 3.7039 8.4145 118.8840 46.9029 0.0000 174.2364 38 S 4.5442 8.9974 118.5263 57.8623 63.9282 174.4456 39 R 4.3244 7.5764 118.0701 55.1606 30.3048 176.0324 40 D 4.5184 8.4893 118.9955 53.7610 41.3679 174.9790 41 P 4.6830 0.0000 0.0000 63.1426 32.3027 175.4896 42 V 4.5513 8.9001 121.6594 61.3207 34.3284 174.1680 43 I 4.5407 8.4218 128.2816 60.3738 38.5824 174.4422 44 Y 4.7058 9.0638 125.1391 56.3382 40.2822 174.6060 45 F 5.0015 9.7436 124.0566 54.8382 41.4401 174.0385 46 P 3.1511 0.0000 0.0000 62.0404 31.9913 177.2262 47 R 3.7029 8.2755 121.7530 59.3551 30.0957 178.2509 48 E 3.9812 7.9394 114.0133 58.4219 29.5379 176.9117 49 D 4.7118 8.0208 118.6897 53.8822 41.4325 175.7036 50 V 4.3656 7.2892 119.0113 60.6911 33.5503 175.1592 51 A 4.2240 8.4239 129.1589 51.7653 19.2121 178.0097 *53 V 3.8770 7.9251 118.0156 61.4467 32.8119 175.5876 *55 F 4.7795 7.9225 117.1570 58.7325 40.4671 174.7747 56 D 5.1098 9.1144 122.4832 52.0055 43.6829 175.4779 57 K 3.8480 9.1011 125.4876 56.8417 32.7372 176.0586 58 S 4.6860 8.3321 122.2033 56.7295 63.8805 173.9533 59 E 4.0725 8.7008 121.9782 58.7582 29.5195 178.0253 60 K 4.0662 8.2709 121.2301 56.8563 33.1086 176.4146 61 V 5.3055 8.2122 118.7269 60.0656 35.9623 174.5929 62 T 4.8211 8.7836 111.5259 60.0022 72.3999 172.3122 63 A 5.1669 8.6302 124.6987 50.6064 21.3785 175.7230 64 C 4.7369 8.9993 122.0214 56.9004 33.8747 173.0946 65 P 4.2953 0.0000 0.0000 65.4363 31.2880 177.4072 66 L 4.2625 7.8717 116.4761 56.2783 42.4689 177.6134 67 K 3.9910 7.6047 116.8985 57.2197 33.9063 174.4545 68 G 4.1251 7.6664 104.3142 44.0820 0.0000 171.9311 69 E 4.9941 8.9517 124.1464 54.8703 31.1874 176.2186 70 A 3.9136 8.8911 129.9942 51.0032 20.0841 176.3703 71 S 4.7249 8.9044 119.8517 58.1171 64.8074 173.2609 72 Y 5.1851 8.0759 119.9264 56.6607 41.3788 174.3731 73 Y 5.2437 9.2518 118.3505 56.6790 42.7046 174.6185 74 S 5.1683 9.2777 119.2664 57.3754 65.5387 173.0809 75 I 4.3349 8.2664 123.8743 59.4223 39.5244 174.7652 76 V 4.4142 8.2657 126.6779 61.7454 33.3263 175.0034 77 G 4.0728 8.5551 114.0659 44.2340 0.0000 172.9839 78 A 3.9737 8.6658 121.2150 55.2145 18.1540 178.9119 79 S 4.3740 8.1451 108.9427 58.4048 64.0373 172.9684 80 G 3.7406 7.2209 106.4044 44.1403 0.0000 172.1886 81 T 4.5713 8.2777 116.8155 63.1828 69.7038 175.3287 82 L 4.4300 9.2316 127.6196 52.9474 42.1531 175.2555 83 K 4.2412 8.5096 125.5143 56.7946 32.8920 176.0111 84 D 4.6571 8.7984 127.4263 55.5324 39.2214 174.4660 85 A 4.5921 8.1567 119.6960 53.4387 19.8270 177.8082 86 A 4.9495 8.5006 116.8928 49.8104 23.1549 175.0117 87 W 5.5290 7.9031 115.6408 55.3439 32.5369 173.7404 88 S 4.9933 8.8684 113.8801 57.6964 66.0344 172.9081 89 Y 4.7824 8.9652 124.7914 57.1806 37.2473 175.8052 90 E 4.3794 8.8273 124.1101 58.1599 30.5705 177.8793 91 S 4.6974 7.6476 113.3702 56.0963 63.4661 171.5964 92 P 4.7555 0.0000 0.0000 61.9612 32.7800 177.0230 93 K 4.2819 8.9412 124.5181 56.5976 33.6049 176.9767 94 E 4.7056 7.9715 119.6827 57.9335 29.3796 177.2755 95 G 3.9937 9.2488 112.8816 44.3798 0.0000 174.3032 96 L 4.5553 7.5887 118.3338 54.4622 42.2192 178.3141 97 E 3.9841 8.0515 120.7815 58.8421 29.6248 179.0504 98 A 3.8777 7.9253 121.2804 54.4233 18.7019 177.9459 99 I 3.1958 7.2356 107.2090 59.9937 37.7401 175.0521 100 A 4.4164 7.4361 124.8923 54.3788 18.1497 178.9947 101 G 4.1045 8.9679 112.2903 45.6699 0.0000 173.3039 102 Y 4.4909 8.2964 117.8860 58.0622 39.3976 174.6693 103 L 4.7292 8.9730 122.2319 53.2082 44.2009 175.5460 104 A 4.6732 7.4678 123.2799 49.7660 22.6870 174.8517 105 F 4.9536 7.7300 115.9781 55.1622 42.5819 174.9328 106 A 4.6156 9.4109 126.0834 51.5545 18.3976 176.9703 107 P 4.6000 0.0000 0.0000 64.9976 31.9429 178.2697 108 D 4.2594 8.2225 118.3406 56.0210 39.3427 176.9479 109 C 4.8033 7.7718 110.9107 57.9357 31.2972 173.1233 110 T 4.8630 7.7254 108.5541 60.1217 71.9626 172.8875 111 K 4.6820 9.1042 123.4622 54.6040 35.1485 174.8701 112 V 4.9692 8.1844 126.0697 61.1376 34.4732 174.4851 113 G 3.9116 8.5955 112.4609 45.7003 0.0000 172.0173 114 Q 3.5220 7.4385 122.1105 54.9130 29.8976 175.0792 115 Y 4.0489 8.6853 126.5182 57.8657 38.4502 175.1965 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 6 H 8.30 4.73 0.00 3.28 3.37 0.00 5.77 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 7 I 7.79 4.75 1.81 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 1.19 0.88 0.82 0.00 0.00 8 R 9.78 4.58 0.00 1.81 1.72 0.00 3.01 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.55 0.00 9 L 8.43 5.12 0.00 1.44 1.43 0.74 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 10 R 8.72 4.71 0.00 1.65 1.72 0.00 3.11 0.00 0.00 3.08 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.49 0.00 11 K 8.52 4.33 0.00 1.74 1.70 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.43 7.81 12 A 8.61 4.18 0.41 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 13 E 9.02 4.10 0.00 2.18 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 2.48 0.00 14 G 8.72 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 15 K 8.45 4.70 0.00 1.85 1.71 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.13 0.00 0.00 2.25 0.00 0.00 0.00 0.00 1.40 1.47 7.81 16 W 9.45 5.13 0.00 3.18 3.15 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 17 V 9.16 5.09 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 1.09 0.00 0.00 18 I 8.52 4.91 0.56 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.27 0.03 0.00 0.00 19 R 8.80 4.82 0.00 2.02 1.90 0.00 2.76 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.52 0.00 20 T 8.01 4.73 4.20 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 1.13 0.00 0.00 21 D 8.79 4.58 0.00 2.79 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 22 S 8.22 4.59 0.00 3.92 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 23 A 7.51 4.53 1.20 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 0.00 0.00 24 V 8.17 4.40 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 0.85 0.00 0.00 0.92 0.00 0.00 25 L 8.27 4.43 0.00 1.41 1.72 0.75 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 26 G 7.25 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 27 E 8.89 5.44 0.00 1.82 1.84 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 2.20 2.25 0.00 28 T 9.26 4.75 4.42 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 1.20 0.00 0.00 29 L 8.68 4.90 0.00 1.69 1.70 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 30 N 7.86 5.06 0.00 2.71 2.82 0.00 0.00 6.87 6.62 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 31 A 7.99 4.23 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 I 8.51 4.66 1.70 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.60 0.76 0.00 0.00 33 E 9.19 4.74 0.00 1.72 1.69 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 2.18 2.10 0.00 34 L 8.92 5.04 0.00 1.64 1.75 0.64 0.86 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 35 T 8.81 4.81 4.22 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 0.00 0.00 0.00 1.22 0.00 0.00 36 E 8.91 4.70 0.00 2.02 1.83 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 2.27 2.27 0.00 37 G 8.41 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 38 S 9.00 4.54 0.00 3.99 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 39 R 7.58 4.32 0.00 2.02 2.01 0.00 3.12 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.64 0.00 40 D 8.49 4.52 0.00 2.77 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 41 P 0.00 4.68 0.00 2.09 2.08 0.00 3.77 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.02 0.00 42 V 8.90 4.55 2.41 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 1.16 0.00 0.00 1.16 0.00 0.00 43 I 8.42 4.54 1.91 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.68 0.17 0.00 0.00 44 Y 9.06 4.71 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 45 F 9.74 5.00 0.00 3.20 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 46 P 0.00 3.15 0.00 1.87 1.38 0.00 3.68 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 2.15 1.83 0.00 47 R 8.28 3.70 0.00 1.87 1.83 0.00 3.08 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.35 0.00 48 E 7.94 3.98 0.00 2.05 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 0.00 2.15 2.26 0.00 49 D 8.02 4.71 0.00 2.89 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 50 V 7.29 4.37 1.97 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 0.46 0.00 0.00 0.98 0.00 0.00 51 A 8.42 4.22 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 *53 V 7.93 3.88 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 0.86 0.00 0.00 0.96 0.00 0.00 *55 F 7.92 4.78 0.00 2.81 3.15 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 56 D 9.11 5.11 0.00 2.61 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 57 K 9.10 3.85 0.00 1.84 1.69 0.00 1.79 0.00 0.00 1.60 0.00 0.00 2.75 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.18 0.70 7.81 58 S 8.33 4.69 0.00 3.94 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 59 E 8.70 4.07 0.00 1.97 1.97 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 2.30 2.28 0.00 60 K 8.27 4.07 0.00 1.66 1.53 0.00 1.28 0.00 0.00 0.66 0.00 0.00 2.13 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.90 1.15 7.81 61 V 8.21 5.31 2.12 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 0.86 0.00 0.00 0.94 0.00 0.00 62 T 8.78 4.82 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 1.17 0.00 0.00 63 A 8.63 5.17 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 64 C 9.00 4.74 0.00 3.07 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 65 P 0.00 4.30 0.00 2.07 2.11 0.00 3.73 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 2.03 2.13 0.00 66 L 7.87 4.26 0.00 1.57 1.65 0.94 0.83 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 67 K 7.60 3.99 0.00 1.01 0.74 0.00 0.97 0.00 0.00 1.46 0.00 0.00 2.92 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.14 1.18 7.81 68 G 7.67 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 0.00 0.00 0.00 69 E 8.95 4.99 0.00 2.05 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 2.25 2.35 0.00 70 A 8.89 3.91 0.61 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 0.00 0.00 71 S 8.90 4.72 0.00 3.73 3.60 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 72 Y 8.08 5.19 0.00 2.97 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 73 Y 9.25 5.24 0.00 3.04 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 74 S 9.28 5.17 0.00 3.80 3.78 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 75 I 8.27 4.33 1.68 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.06 0.74 0.50 0.00 0.00 76 V 8.27 4.41 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 0.76 0.00 0.00 0.93 0.00 0.00 77 G 8.56 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 0.00 0.00 0.00 0.00 78 A 8.67 3.97 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 79 S 8.15 4.37 0.00 3.86 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 80 G 7.22 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 0.00 0.00 0.00 81 T 8.28 4.57 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 1.24 0.00 0.00 82 L 9.23 4.43 0.00 1.54 1.64 0.89 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 83 K 8.51 4.24 0.00 1.75 1.74 0.00 1.82 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.53 7.81 84 D 8.80 4.66 0.00 2.85 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 85 A 8.16 4.59 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 86 A 8.50 4.95 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 W 7.90 5.53 0.00 2.67 2.23 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 88 S 8.87 4.99 0.00 3.90 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 89 Y 8.97 4.78 0.00 3.03 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 90 E 8.83 4.38 0.00 2.02 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 2.41 2.58 0.00 91 S 7.65 4.70 0.00 3.84 3.78 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 92 P 0.00 4.76 0.00 1.94 1.92 0.00 3.70 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 2.09 2.33 0.00 93 K 8.94 4.28 0.00 1.84 1.70 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.39 7.81 94 E 7.97 4.71 0.00 1.75 1.76 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 2.23 1.74 0.00 95 G 9.25 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 96 L 7.59 4.56 0.00 1.71 1.42 0.77 0.62 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 97 E 8.05 3.98 0.00 2.02 1.97 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 2.38 2.34 0.00 98 A 7.93 3.88 1.10 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 0.00 0.00 99 I 7.24 3.20 1.38 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.62 0.35 0.00 0.00 100 A 7.44 4.42 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 0.00 101 G 8.97 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 0.00 0.00 0.00 102 Y 8.30 4.49 0.00 3.21 3.15 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 0.00 103 L 8.97 4.73 0.00 1.40 0.80 0.60 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 104 A 7.47 4.67 -0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.73 4.95 0.00 2.69 2.80 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 0.00 106 A 9.41 4.62 1.60 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 0.00 0.00 107 P 0.00 4.60 0.00 2.32 2.43 0.00 3.91 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 2.18 2.09 0.00 108 D 8.22 4.26 0.00 2.85 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 0.00 109 C 7.77 4.80 0.00 2.88 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 0.00 110 T 7.73 4.86 4.20 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 1.24 0.00 0.00 111 K 9.10 4.68 0.00 1.76 1.63 0.00 1.57 0.00 0.00 1.56 0.00 0.00 2.79 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.31 1.36 7.81 112 V 8.18 4.97 2.27 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 1.33 0.00 0.00 1.03 0.00 0.00 113 G 8.60 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 0.00 114 Q 7.44 3.52 0.00 0.93 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 7.03 0.00 0.00 0.00 0.00 0.00 2.02 1.85 0.00 115 Y 8.69 4.05 0.00 2.87 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 * Residues marked with a * may have inaccurate shift predictions.