NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 L 4.4264 8.1849 122.7682 55.0627 43.3516 175.6429 5 Q 4.5554 9.2196 125.6274 53.9027 32.3802 173.2688 6 M 4.6261 9.3660 123.7185 54.0607 34.4732 174.3906 7 I 4.3154 8.9915 126.1901 59.8644 38.4664 175.2010 8 Q 5.1007 8.8285 125.7784 52.1220 30.1603 174.2888 9 P 4.4333 0.0000 0.0000 64.6678 31.7078 176.7564 10 E 4.5461 7.3989 119.1943 54.4818 30.3840 176.0481 11 K 4.2581 8.6346 124.3594 59.1257 33.3809 176.9412 12 L 5.0844 7.6513 119.3330 53.6885 45.4182 174.7237 13 L 4.7548 9.2147 125.5811 52.8099 44.9250 175.0437 14 L 5.0226 8.5895 125.9934 53.8792 43.1084 175.6032 15 V 4.6985 8.8735 119.7039 59.6885 36.0718 174.5850 16 T 5.0580 8.0357 110.7456 59.4045 72.3125 173.6996 17 V 3.9715 8.2268 122.2363 64.5373 31.9976 176.1026 18 G 4.0019 8.9377 115.7586 45.1329 0.0000 173.9078 19 K 4.3152 7.6669 118.5063 56.4458 33.7465 175.9835 20 T 4.8304 8.3175 118.0177 62.3113 70.3775 173.6627 21 A 4.6541 8.7662 128.5558 50.4598 21.7795 175.3817 22 T 4.6469 8.2675 117.9190 61.7484 70.7686 173.8903 23 L 4.3902 8.4331 127.6927 53.4242 43.0063 175.3945 24 H 5.1826 8.6834 121.7209 55.1137 30.9199 175.1364 25 C 5.4645 9.2132 121.7098 55.9222 43.3227 172.7141 26 T 5.4642 9.2249 122.0977 62.0045 72.2364 173.2085 27 V 4.9262 8.8399 118.3762 60.3172 33.3753 176.1849 28 T 4.4831 8.5181 113.3478 62.0601 69.4981 174.6451 29 S 4.6545 7.7204 115.6931 57.2496 65.3628 173.5123 30 L 4.4351 8.5503 125.5779 55.2210 42.1391 176.6622 31 L 4.7757 7.3863 118.7001 52.6733 42.8759 174.7305 32 P 4.3582 0.0000 0.0000 62.0367 32.1105 175.9677 33 V 3.7309 8.1477 118.9371 61.6985 32.0552 175.2473 34 G 5.1692 8.1374 116.9159 45.1948 0.0000 170.1524 35 P 4.8729 0.0000 0.0000 62.3571 33.3540 174.8594 36 V 4.6511 8.6299 121.0857 61.2279 33.0159 174.9043 37 L 4.9345 9.1685 127.4917 52.7616 45.4045 175.1586 38 W 5.2298 8.7217 120.9100 55.1641 31.7689 175.2357 39 F 5.5244 9.5174 121.8445 55.8043 43.3742 173.6831 40 R 4.4862 9.4052 122.3145 55.9830 31.6315 177.0743 41 G 4.2248 9.5780 113.0429 45.4365 0.0000 171.7051 42 V 4.0487 7.5763 110.8222 59.9293 35.2330 176.3238 43 G 3.8516 8.1827 108.9285 44.1637 0.0000 172.6977 44 P 4.1715 0.0000 0.0000 65.4333 31.1922 178.0465 45 G 3.8692 7.9265 104.3104 45.7016 0.0000 173.9076 46 R 4.1514 7.7070 116.8838 55.9768 30.2362 175.3647 47 E 4.7024 8.7536 121.1622 54.3934 31.5197 174.7694 48 L 4.3828 8.9364 129.6482 55.8175 42.0954 176.0665 49 I 4.4392 8.7308 127.4241 63.0205 39.0350 175.6220 50 Y 3.0294 7.1876 120.3673 55.8889 42.2680 173.3318 51 N 4.7685 6.2108 123.7587 52.0811 41.1939 173.8450 52 Q 3.9678 9.1990 124.9706 59.8357 28.8504 177.9398 53 K 4.1489 7.2571 118.7355 57.3764 32.8529 175.3319 54 E 4.5478 7.7503 114.1155 55.7001 31.8941 174.1143 55 G 3.6910 8.6485 105.8054 44.9249 0.0000 172.4660 56 H 4.6861 7.7398 118.2348 54.2161 31.6550 174.3753 57 F 4.8479 8.0885 125.5713 54.4216 39.0796 173.5837 58 P 4.1698 0.0000 0.0000 65.4103 31.6873 178.5851 59 R 4.2134 8.0154 116.0286 56.6449 30.5826 175.3313 60 V 4.9840 7.8592 119.1048 61.1146 33.6845 174.7937 61 T 4.8074 8.4932 117.0176 60.0071 72.4493 172.6430 62 T 4.5493 8.1102 112.7203 60.4888 70.0391 174.9168 63 V 3.6894 8.4536 125.2494 65.6997 32.0201 176.1700 64 S 4.5755 7.7441 113.6087 56.3248 65.5027 173.3004 65 D 4.5592 8.1802 120.7763 53.3216 39.9236 176.7010 66 L 4.0467 8.3704 127.6364 57.1162 41.8392 178.4171 67 T 4.2874 8.0805 107.4276 61.8069 69.4261 175.0213 68 K 4.1582 7.9809 124.1359 56.0704 32.8164 177.3232 69 R 3.8893 8.8729 124.8746 59.6332 29.7999 177.2507 70 N 4.9053 7.8686 111.4697 52.8261 38.9260 174.5120 71 N 4.3969 8.0286 117.8322 54.2770 39.4222 174.3697 72 M 4.9025 8.4998 121.8955 54.8219 34.8879 173.9025 73 D 4.8507 8.0155 119.5911 52.6756 42.0158 175.7220 74 F 4.8675 9.0062 125.1116 57.3508 40.2059 176.3825 75 S 4.8480 8.6327 116.4380 58.8384 63.8332 173.4812 76 I 4.8318 8.2721 116.0840 59.0575 41.3338 174.0928 77 R 4.8273 8.7482 122.7941 54.5051 32.6912 174.9559 78 I 4.8542 8.5030 125.4846 59.5028 39.3314 175.5715 79 S 4.6657 8.6246 122.2518 56.4577 64.6871 173.8594 80 S 3.6899 8.3470 113.4973 59.6230 59.9307 173.3673 81 I 3.9791 7.9027 121.6304 61.7163 37.8548 176.2830 82 T 5.0673 8.9836 114.1890 58.7036 71.7466 173.0805 83 P 4.2010 0.0000 0.0000 65.3517 31.3411 178.7131 84 A 4.0946 7.9515 120.1395 54.4190 18.2787 177.7683 85 D 4.7682 8.1026 114.4981 54.5190 41.4628 177.2794 86 V 3.9133 7.4805 120.1651 62.1196 32.1055 175.7392 87 G 4.1232 7.4040 113.2292 45.3591 0.0000 170.6624 88 T 4.9204 7.7615 115.9547 62.1069 70.6061 173.6096 89 Y 5.1022 9.1113 124.8281 56.6045 40.4051 174.2429 90 Y 4.9298 9.5122 122.1860 56.2765 41.3818 173.8667 91 C 3.8487 8.5974 124.2639 55.0599 42.0872 172.1563 92 V 4.8146 8.6811 126.6880 60.9077 34.5051 174.0177 93 K 4.7699 8.9364 129.9030 55.7893 33.6367 175.5311 94 F 5.1798 9.5010 128.2323 56.6203 42.2459 175.4391 95 R 5.0658 9.4609 123.5410 55.8476 32.6396 177.1036 96 K 5.0412 7.7070 123.9989 53.8422 32.3305 177.1364 *101 N 4.9621 8.6091 122.8287 52.1565 40.6268 173.8997 102 V 4.6711 8.6860 120.6275 59.5107 34.8185 174.5865 103 E 3.1792 8.8040 124.5519 56.7140 29.5131 175.3125 104 F 4.7625 9.0105 129.2392 59.5563 40.9021 175.8337 105 K 4.4305 7.5893 115.8770 55.0696 36.4099 174.5879 106 S 5.0073 8.3726 117.9078 56.1524 65.0253 173.7367 107 G 4.4239 9.1891 113.3309 44.5250 0.0000 172.6220 108 P 4.3778 0.0000 0.0000 63.4637 31.7949 177.4635 109 G 3.5083 7.9967 105.7059 45.9794 0.0000 172.9114 110 T 4.7813 8.4494 117.7554 61.3134 71.6770 172.9969 111 E 4.6360 9.4394 129.0449 56.0997 31.4737 174.7802 112 M 5.0338 9.7655 127.4175 54.0718 34.0241 174.4833 113 A 5.1237 9.2451 127.8654 50.0264 22.8632 174.1598 114 L 5.0658 8.5262 121.1552 53.3876 44.0268 175.6568 115 G 4.3739 8.9951 112.1966 44.0717 0.0000 172.0377 116 A 4.4802 8.4178 122.4329 50.9655 19.5147 177.8042 117 K 4.1676 8.3137 120.0337 55.3833 32.9222 175.8278 118 P 4.4090 0.0000 0.0000 63.2552 31.2313 176.1805 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 4 L 8.18 4.43 0.00 1.81 1.87 1.07 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 5 Q 9.22 4.56 0.00 1.99 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.62 0.00 0.00 0.00 0.00 0.00 2.27 2.56 0.00 6 M 9.37 4.63 0.00 1.85 2.01 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.45 0.00 7 I 8.99 4.32 1.92 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 1.25 0.75 0.94 0.00 0.00 8 Q 8.83 5.10 0.00 2.01 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.89 0.00 0.00 0.00 0.00 0.00 2.58 2.17 0.00 9 P 0.00 4.43 0.00 2.19 2.21 0.00 4.03 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.01 0.00 10 E 7.40 4.55 0.00 2.17 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 2.32 0.00 11 K 8.63 4.26 0.00 1.73 1.87 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.79 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.54 1.45 7.81 12 L 7.65 5.08 0.00 1.62 1.48 0.96 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 13 L 9.21 4.75 0.00 1.50 1.47 0.85 0.41 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 14 L 8.59 5.02 0.00 1.62 1.57 0.96 0.93 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 15 V 8.87 4.70 2.04 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 0.65 0.00 0.00 0.96 0.00 0.00 16 T 8.04 5.06 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 1.26 0.00 0.00 17 V 8.23 3.97 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 0.84 0.00 0.00 0.93 0.00 0.00 18 G 8.94 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.67 4.32 0.00 1.76 1.70 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.59 1.54 7.81 20 T 8.32 4.83 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 1.12 0.00 0.00 21 A 8.77 4.65 1.05 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 0.00 0.00 0.00 0.00 0.00 22 T 8.27 4.65 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 0.96 0.00 0.00 23 L 8.43 4.39 0.00 0.68 1.11 -0.02 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 24 H 8.68 5.18 0.00 3.35 3.28 0.00 5.82 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 25 C 9.21 5.46 0.00 3.22 3.27 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 26 T 9.22 5.46 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 1.36 0.00 0.00 27 V 8.84 4.93 2.15 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 0.61 0.00 0.00 1.31 0.00 0.00 28 T 8.52 4.48 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 1.24 0.00 0.00 29 S 7.72 4.65 0.00 3.83 3.76 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 30 L 8.55 4.44 0.00 1.70 1.74 1.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 31 L 7.39 4.78 0.00 1.63 1.58 0.91 1.40 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 32 P 0.00 4.36 0.00 1.83 1.74 0.00 3.59 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.44 0.00 33 V 8.15 3.73 2.04 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 0.95 0.00 0.00 0.92 0.00 0.00 34 G 8.14 5.17 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 P 0.00 4.87 0.00 2.08 2.17 0.00 3.74 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.89 0.00 36 V 8.63 4.65 1.29 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 0.34 0.00 0.00 -0.04 0.00 0.00 37 L 9.17 4.93 0.00 1.63 0.91 0.72 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 38 W 8.72 5.23 0.00 3.32 3.16 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 39 F 9.52 5.52 0.00 3.08 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 40 R 9.41 4.49 0.00 1.24 1.68 0.00 3.06 0.00 0.00 2.79 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.12 0.00 41 G 9.58 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 0.00 0.00 0.00 0.00 42 V 7.58 4.05 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 0.05 0.00 0.00 0.83 0.00 0.00 43 G 8.18 3.85 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 0.00 0.00 0.00 44 P 0.00 4.17 0.00 2.02 2.11 0.00 3.62 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.04 0.00 45 G 7.93 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 46 R 7.71 4.15 0.00 2.19 1.96 0.00 2.36 0.00 0.00 2.80 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.31 0.00 47 E 8.75 4.70 0.00 2.16 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 2.36 2.34 0.00 48 L 8.94 4.38 0.00 1.88 1.74 0.56 1.22 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 49 I 8.73 4.44 2.20 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.27 1.02 0.00 0.00 50 Y 7.19 3.03 0.00 2.76 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 51 N 6.21 4.77 0.00 2.50 2.80 0.00 0.00 7.07 7.08 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 52 Q 9.20 3.97 0.00 2.32 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.58 0.00 0.00 0.00 0.00 0.00 2.65 2.41 0.00 53 K 7.26 4.15 0.00 1.77 1.84 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.41 1.48 7.81 54 E 7.75 4.55 0.00 2.05 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 2.15 2.20 0.00 55 G 8.65 3.69 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 0.00 0.00 0.00 56 H 7.74 4.69 0.00 2.92 2.99 0.00 5.69 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 F 8.09 4.85 0.00 3.30 3.05 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 0.00 0.00 0.00 58 P 0.00 4.17 0.00 2.16 2.15 0.00 3.64 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 59 R 8.02 4.21 0.00 1.93 1.99 0.00 3.09 0.00 0.00 3.30 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.63 0.00 60 V 7.86 4.98 2.36 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 0.38 0.00 0.00 1.03 0.00 0.00 61 T 8.49 4.81 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 1.19 0.00 0.00 62 T 8.11 4.55 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 0.85 0.00 0.00 63 V 8.45 3.69 2.15 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 0.73 0.00 0.00 0.84 0.00 0.00 64 S 7.74 4.58 0.00 3.74 3.67 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.18 4.56 0.00 2.66 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.37 4.05 0.00 1.74 1.83 0.73 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 67 T 8.08 4.29 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 1.25 0.00 0.00 68 K 7.98 4.16 0.00 1.99 1.76 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.82 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.45 1.52 7.81 69 R 8.87 3.89 0.00 1.77 2.00 0.00 3.23 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 70 N 7.87 4.91 0.00 2.75 2.81 0.00 0.00 6.83 8.00 0.00 0.00 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 N 8.03 4.40 0.00 2.62 2.69 0.00 0.00 6.82 7.18 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 72 M 8.50 4.90 0.00 2.28 2.03 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.58 0.00 73 D 8.02 4.85 0.00 2.65 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 74 F 9.01 4.87 0.00 3.06 3.23 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 75 S 8.63 4.85 0.00 3.84 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 76 I 8.27 4.83 1.32 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.45 0.40 0.00 0.00 77 R 8.75 4.83 0.00 1.57 1.73 0.00 2.98 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.42 0.00 78 I 8.50 4.85 1.65 0.00 0.00 0.52 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 0.46 0.84 0.00 0.00 79 S 8.62 4.67 0.00 3.84 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 80 S 8.35 3.69 0.00 4.03 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 81 I 7.90 3.98 1.84 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.81 0.89 0.00 0.00 82 T 8.98 5.07 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 1.26 0.00 0.00 83 P 0.00 4.20 0.00 2.21 2.17 0.00 3.61 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 2.12 2.10 0.00 84 A 7.95 4.09 1.32 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 0.00 0.00 85 D 8.10 4.77 0.00 2.82 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 86 V 7.48 3.91 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 0.81 0.00 0.00 1.04 0.00 0.00 87 G 7.40 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 0.00 0.00 0.00 88 T 7.76 4.92 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 0.68 0.00 0.00 89 Y 9.11 5.10 0.00 2.99 3.28 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 90 Y 9.51 4.93 0.00 2.97 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 91 C 8.60 3.85 0.00 1.52 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.68 4.81 2.43 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 0.60 0.00 0.00 1.06 0.00 0.00 93 K 8.94 4.77 0.00 1.84 1.82 0.00 1.50 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.55 1.56 7.81 94 F 9.50 5.18 0.00 3.04 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 95 R 9.46 5.07 0.00 1.44 1.77 0.00 3.25 0.00 0.00 3.20 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.42 0.00 96 K 7.71 5.04 0.00 1.55 1.64 0.00 1.77 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.34 1.12 7.81 *101 N 8.61 4.96 0.00 2.66 3.07 0.00 0.00 6.60 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 0.00 102 V 8.69 4.67 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 0.83 0.00 0.00 0.95 0.00 0.00 103 E 8.80 3.18 0.00 1.40 1.63 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 0.00 1.97 1.72 0.00 104 F 9.01 4.76 0.00 2.87 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 0.00 105 K 7.59 4.43 0.00 1.58 1.51 0.00 0.80 0.00 0.00 1.74 0.00 0.00 2.62 0.00 0.00 2.44 0.00 0.00 0.00 0.00 1.22 1.00 7.81 106 S 8.37 5.01 0.00 3.86 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 0.00 107 G 9.19 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 0.00 0.00 0.00 0.00 108 P 0.00 4.38 0.00 2.23 2.22 0.00 3.92 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 2.02 1.99 0.00 109 G 8.00 3.51 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 0.00 110 T 8.45 4.78 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 1.24 0.00 0.00 111 E 9.44 4.64 0.00 2.02 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 0.00 2.34 2.44 0.00 112 M 9.77 5.03 0.00 2.25 1.86 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 113 A 9.25 5.12 1.21 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 0.00 0.00 0.00 114 L 8.53 5.07 0.00 1.64 1.55 0.92 0.95 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 0.00 115 G 9.00 4.37 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 0.00 116 A 8.42 4.48 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 0.00 117 K 8.31 4.17 0.00 1.76 1.75 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.45 7.81 118 P 0.00 4.41 0.00 2.03 1.99 0.00 3.70 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 * Residues marked with a * may have inaccurate shift predictions.