NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 M 4.3141 8.2893 120.3439 55.5131 32.6459 174.8623 7 I 4.0972 7.9953 120.0565 58.1739 39.7938 172.4296 8 P 4.4232 0.0000 0.0000 63.0885 32.5286 178.1031 9 G 3.8996 9.1703 111.9403 45.0116 0.0000 173.2190 10 G 3.9106 7.3412 108.1324 43.6046 0.0000 173.4109 11 L 4.1684 7.8618 119.0061 54.2543 42.4342 179.2026 12 S 4.3797 8.1561 117.0614 58.1656 64.5134 172.7067 13 E 4.4906 8.3440 120.3855 55.1203 30.6184 177.3130 14 A 4.3358 8.3961 127.3082 52.8321 19.5573 176.8057 15 K 4.5795 8.6906 116.9912 54.3817 37.1100 173.9494 16 P 4.9341 0.0000 0.0000 62.6579 32.0303 175.8166 17 A 4.4897 8.3719 123.7704 52.5947 19.4054 176.5963 18 T 4.6696 7.9836 107.3756 59.1659 71.9779 173.3133 19 P 4.2245 0.0000 0.0000 64.8231 31.7918 177.8951 20 E 4.0865 8.1206 118.9435 57.9995 30.3599 178.3138 21 I 3.4307 8.1982 120.4173 64.0083 37.1334 177.9755 22 Q 3.8382 7.8445 119.9686 58.9656 28.9605 177.5854 23 E 3.8338 7.7415 120.2922 59.4974 29.6303 179.0184 24 I 3.5605 7.4263 119.6525 64.1123 37.0699 178.4894 25 V 3.4788 7.7619 119.3056 66.1920 31.1243 177.7355 26 D 4.3252 8.2719 117.3707 57.4539 40.7228 178.7939 27 K 4.1281 7.7708 117.9908 58.8665 32.5638 179.0202 28 V 3.9778 7.7030 117.4060 61.9738 31.7248 177.9107 29 K 3.7905 7.8829 121.7374 59.3395 30.6317 176.4411 30 P 4.3317 0.0000 0.0000 64.5173 31.2504 177.4297 31 Q 4.5865 7.8204 116.5963 57.1292 29.7557 177.2552 32 L 3.6965 7.9931 121.9889 57.9479 42.0372 178.4625 33 E 4.8742 8.1605 119.1505 59.2712 29.2643 178.7025 34 E 3.9260 7.4670 116.0773 59.2517 29.7703 178.3804 35 K 4.0389 8.1836 119.1650 59.2246 32.4114 178.2701 36 T 4.4092 7.8385 106.6122 60.1349 70.1594 173.4929 37 N 4.1027 8.5060 119.6860 54.2800 38.0877 173.9627 38 E 4.3083 7.6701 116.8075 54.6965 32.5055 173.6167 39 T 4.4328 8.3070 123.7583 63.1091 69.0198 174.3322 40 Y 4.0848 9.7124 125.9538 56.9278 39.6078 175.4772 *43 G 4.4043 8.0298 108.2935 45.1755 0.0000 172.2042 44 K 3.9036 8.6641 119.6232 57.1132 32.9345 176.2118 45 L 4.4806 8.2696 123.3559 53.0195 42.6543 175.3516 46 E 4.4161 8.8174 126.4030 55.4373 31.0561 175.2781 47 A 4.5220 9.6660 130.3803 51.7650 18.8315 177.0099 48 V 4.0978 8.6944 116.1362 63.5743 33.4105 176.4127 49 Q 5.2659 8.0085 119.7523 54.6895 33.0878 173.0629 50 Y 5.5613 9.1588 120.5949 56.4387 42.0450 173.3400 51 K 4.6846 8.8631 117.8837 55.7118 37.4696 174.8772 52 T 4.9471 9.5064 112.1630 60.5620 73.0765 172.3772 53 Q 4.6747 8.6375 121.4969 54.6714 33.0041 173.1227 54 V 4.5163 8.3582 125.5477 61.6304 32.7045 175.0422 55 V 4.3093 8.1251 122.7228 60.8113 34.0628 176.5991 56 A 4.4568 8.9519 120.7086 49.5464 18.2727 176.1219 57 G 4.1805 6.8434 117.5383 43.6986 0.0000 172.7621 58 T 4.7830 9.0238 122.2980 62.8552 73.5432 171.9410 59 N 5.3508 8.9599 125.2305 52.3573 40.6387 173.8006 60 Y 5.4096 9.1921 121.3391 56.4959 41.1720 174.4277 61 Y 4.9939 9.1362 121.2111 56.6049 40.6673 174.4400 62 I 4.8775 8.7612 125.8319 59.2652 40.4430 174.8560 63 K 5.1273 9.1920 128.5745 55.5286 33.8385 175.6223 64 V 4.9324 9.1345 120.4408 59.5779 35.6684 174.4694 65 R 4.2793 8.6720 125.7374 55.1957 31.7306 174.9136 66 A 4.4730 9.0805 126.3860 52.4038 23.5351 180.6501 67 G 3.8166 9.2329 111.2170 46.5056 0.0000 175.8168 68 D 4.5666 9.0700 126.5119 52.4616 42.6059 173.8746 *92 N 4.7780 8.4021 126.0882 52.7612 40.2649 174.7193 93 K 4.4804 8.3440 120.2032 56.3639 33.9280 174.9674 94 Y 5.1374 8.8068 123.7956 56.6065 41.3397 174.4272 95 M 5.2624 9.2062 123.4554 53.7989 36.6758 174.7422 96 H 5.6061 9.6067 118.0317 54.4130 31.6151 172.8929 97 L 4.8868 8.9140 124.4670 53.4858 43.6785 176.1809 98 K 4.4231 9.3821 125.5352 54.9170 33.7119 174.8498 99 V 4.7563 8.8311 129.3420 61.0847 33.3018 174.1578 100 F 5.3009 9.0865 131.5495 57.3800 40.9550 173.9495 101 K 4.2378 9.0067 128.7704 54.1485 34.0587 175.7629 102 S 4.5001 7.9504 123.2860 58.2530 63.6552 174.4238 102A L 4.1822 8.5033 121.4523 54.0562 42.1194 175.7968 103 P 4.2159 0.0000 0.0000 65.8030 31.3940 176.9936 104 G 3.7185 7.8708 105.1944 45.4660 0.0000 171.8455 105 Q 3.2333 8.3947 120.9305 55.5607 27.8733 173.8362 105A N 4.7672 8.4017 116.9698 51.5821 38.7530 172.7743 106 E 4.7701 8.1829 123.3607 54.0573 33.5202 174.6908 107 D 4.8615 8.2194 121.3465 53.0739 43.1549 176.0105 108 L 4.3701 8.2049 122.2300 54.3295 42.1283 176.3390 109 V 3.9952 7.9960 124.0865 61.8456 33.1573 174.8994 110 L 4.7783 8.6561 130.7498 54.3984 41.7019 175.5800 111 T 4.4785 8.9347 116.7629 60.4285 69.7072 175.0061 112 G 4.6451 7.2166 114.8331 46.8258 0.0000 171.4486 113 Y 5.6692 7.8086 119.6570 55.2095 41.8682 174.2418 114 Q 4.4296 9.3129 121.0140 54.6557 32.2303 174.0219 115 V 4.6335 8.5042 125.5338 61.7063 34.7000 174.2484 115A D 4.5890 8.7325 121.1430 55.3347 37.8096 174.5835 116 K 4.3940 8.1196 118.1208 55.7650 33.6396 177.5522 117 N 4.7311 8.1254 121.4556 52.5411 37.6972 175.2319 118 K 2.7074 7.8920 113.6246 59.5126 33.2319 178.3483 119 D 4.3890 7.6529 117.7598 52.4586 39.8752 175.3062 120 D 4.2971 7.3295 120.3106 54.5331 41.2312 176.0838 121 E 4.0621 8.6820 124.9829 56.1312 30.1347 176.6116 122 L 4.1641 8.5287 122.7989 54.8488 41.9275 176.3803 123 T 4.5869 8.5313 114.1133 59.3545 71.0553 174.1749 124 G 3.5789 8.5321 113.6588 45.1267 0.0000 173.5900 125 F 4.6319 8.4242 119.8144 56.8253 38.0372 175.2084 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 M 8.29 4.31 0.00 1.95 2.04 0.00 0.00 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.57 0.00 7 I 8.00 4.10 1.85 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 1.38 0.86 0.89 0.00 0.00 8 P 0.00 4.42 0.00 2.05 2.01 0.00 3.62 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.05 0.00 9 G 9.17 3.90 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 0.00 0.00 0.00 10 G 7.34 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 11 L 7.86 4.17 0.00 1.47 1.39 0.18 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.16 4.38 0.00 3.88 3.90 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 13 E 8.34 4.49 0.00 1.94 1.79 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 2.18 2.25 0.00 14 A 8.40 4.34 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 15 K 8.69 4.58 0.00 1.61 1.60 0.00 0.76 0.00 0.00 0.61 0.00 0.00 2.57 0.00 0.00 2.52 0.00 0.00 0.00 0.00 1.08 1.28 7.81 16 P 0.00 4.93 0.00 2.14 2.11 0.00 3.80 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 2.06 2.02 0.00 17 A 8.37 4.49 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 18 T 7.98 4.67 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 19 P 0.00 4.22 0.00 2.16 2.12 0.00 3.55 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 20 E 8.12 4.09 0.00 1.93 1.79 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 2.14 2.20 0.00 21 I 8.20 3.43 1.73 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.30 0.65 0.00 0.00 22 Q 7.84 3.84 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.87 0.00 0.00 0.00 0.00 0.00 2.38 2.61 0.00 23 E 7.74 3.83 0.00 2.27 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 2.24 2.30 0.00 24 I 7.43 3.56 1.69 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.47 0.63 0.00 0.00 25 V 7.76 3.48 2.18 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 0.96 0.00 0.00 0.93 0.00 0.00 26 D 8.27 4.33 0.00 2.73 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 27 K 7.77 4.13 0.00 1.69 1.82 0.00 1.70 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.61 7.81 28 V 7.70 3.98 2.13 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 0.76 0.00 0.00 0.95 0.00 0.00 29 K 7.88 3.79 0.00 1.98 1.92 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.41 1.41 7.81 30 P 0.00 4.33 0.00 2.18 2.08 0.00 3.71 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.18 0.00 31 Q 7.82 4.59 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 2.29 2.46 0.00 32 L 7.99 3.70 0.00 1.57 1.37 0.13 0.23 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 33 E 8.16 4.87 0.00 2.09 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 3.03 2.39 0.00 34 E 7.47 3.93 0.00 2.09 2.13 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 2.34 2.52 0.00 35 K 8.18 4.04 0.00 1.79 2.10 0.00 2.00 0.00 0.00 1.99 0.00 0.00 3.18 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.56 1.85 7.81 36 T 7.84 4.41 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 1.08 0.00 0.00 37 N 8.51 4.10 0.00 2.82 2.88 0.00 0.00 6.81 8.46 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 38 E 7.67 4.31 0.00 1.85 1.54 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 1.47 2.00 0.00 39 T 8.31 4.43 4.16 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 1.23 0.00 0.00 40 Y 9.71 4.08 0.00 2.94 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 *43 G 8.03 4.40 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 0.00 44 K 8.66 3.90 0.00 1.86 1.84 0.00 1.54 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.45 7.81 45 L 8.27 4.48 0.00 1.46 1.60 1.01 0.73 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 46 E 8.82 4.42 0.00 2.02 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 2.26 2.24 0.00 47 A 9.67 4.52 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 48 V 8.69 4.10 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 0.85 0.00 0.00 1.11 0.00 0.00 49 Q 8.01 5.27 0.00 2.18 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.69 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 50 Y 9.16 5.56 0.00 3.05 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 51 K 8.86 4.68 0.00 1.69 1.58 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.80 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.27 1.39 7.81 52 T 9.51 4.95 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 1.40 0.00 0.00 53 Q 8.64 4.67 0.00 2.09 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.83 0.00 0.00 0.00 0.00 0.00 2.26 2.41 0.00 54 V 8.36 4.52 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 0.86 0.00 0.00 0.91 0.00 0.00 55 V 8.13 4.31 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 0.75 0.00 0.00 1.11 0.00 0.00 56 A 8.95 4.46 1.27 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 57 G 6.84 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 0.00 0.00 0.00 0.00 58 T 9.02 4.78 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 0.99 0.00 0.00 59 N 8.96 5.35 0.00 2.87 2.96 0.00 0.00 6.38 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 60 Y 9.19 5.41 0.00 2.78 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 61 Y 9.14 4.99 0.00 2.88 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 I 8.76 4.88 1.92 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.03 0.97 0.00 0.00 63 K 9.19 5.13 0.00 1.96 1.82 0.00 1.79 0.00 0.00 2.11 0.00 0.00 2.99 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.67 1.78 7.81 64 V 9.13 4.93 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 0.66 0.00 0.00 0.90 0.00 0.00 65 R 8.67 4.28 0.00 1.51 1.55 0.00 3.10 0.00 0.00 2.98 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.39 0.00 66 A 9.08 4.47 1.23 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 67 G 9.23 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 0.00 0.00 0.00 68 D 9.07 4.57 0.00 2.59 2.59 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 *92 N 8.40 4.78 0.00 2.86 3.06 0.00 0.00 7.11 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 93 K 8.34 4.48 0.00 1.94 1.87 0.00 1.67 0.00 0.00 1.79 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.52 1.50 7.81 94 Y 8.81 5.14 0.00 3.13 2.86 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 95 M 9.21 5.26 0.00 2.03 1.90 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 2.54 2.54 0.00 96 H 9.61 5.61 0.00 3.17 3.52 0.00 5.62 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 L 8.91 4.89 0.00 1.69 1.60 0.92 0.47 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 98 K 9.38 4.42 0.00 1.19 1.55 0.00 0.84 0.00 0.00 1.16 0.00 0.00 2.50 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.77 0.21 7.81 99 V 8.83 4.76 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 0.73 0.00 0.00 0.91 0.00 0.00 100 F 9.09 5.30 0.00 3.18 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 0.00 101 K 9.01 4.24 0.00 1.88 1.57 0.00 1.70 0.00 0.00 1.64 0.00 0.00 3.07 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.18 1.32 7.81 102 S 7.95 4.50 0.00 3.65 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 102A L 8.50 4.18 0.00 1.67 1.62 0.96 1.07 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 0.00 103 P 0.00 4.22 0.00 2.03 2.15 0.00 3.69 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 104 G 7.87 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 0.00 0.00 0.00 105 Q 8.39 3.23 0.00 2.21 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 7.01 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 105A N 8.40 4.77 0.00 2.62 2.71 0.00 0.00 6.69 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 0.00 106 E 8.18 4.77 0.00 1.93 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 2.20 2.33 0.00 107 D 8.22 4.86 0.00 2.68 2.59 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 0.00 108 L 8.20 4.37 0.00 1.47 1.58 0.83 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 109 V 8.00 4.00 2.26 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 0.98 0.00 0.00 1.06 0.00 0.00 110 L 8.66 4.78 0.00 1.76 1.65 0.91 1.04 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 0.00 111 T 8.93 4.48 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 1.27 0.00 0.00 112 G 7.22 4.65 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 0.00 113 Y 7.81 5.67 0.00 2.97 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 0.00 114 Q 9.31 4.43 0.00 1.90 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.71 0.00 0.00 0.00 0.00 0.00 2.09 2.07 0.00 115 V 8.50 4.63 2.22 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 0.98 0.00 0.00 1.14 0.00 0.00 115A D 8.73 4.59 0.00 2.91 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 0.00 116 K 8.12 4.39 0.00 1.79 1.67 0.00 1.51 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.14 1.57 7.81 117 N 8.13 4.73 0.00 2.64 2.67 0.00 0.00 6.12 7.13 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 0.00 118 K 7.89 2.71 0.00 1.11 1.43 0.00 1.38 0.00 0.00 1.91 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.34 1.32 7.81 119 D 7.65 4.39 0.00 2.78 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 0.00 120 D 7.33 4.30 0.00 2.64 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 0.00 121 E 8.68 4.06 0.00 2.11 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 2.29 2.43 0.00 122 L 8.53 4.16 0.00 1.68 1.73 1.05 0.71 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 0.00 123 T 8.53 4.59 4.33 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 1.28 0.00 0.00 124 G 8.53 3.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 F 8.42 4.63 0.00 3.19 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 * Residues marked with a * may have inaccurate shift predictions.