NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 K 4.2814 8.3144 120.1357 54.6111 34.5069 174.7275 14 V 4.1523 7.7814 119.4025 60.3325 34.3638 169.7439 15 V 4.1839 8.4445 127.3261 61.0160 33.6892 175.0413 16 S 4.3735 8.4702 121.4115 57.8730 63.2553 174.5800 17 W 4.2324 8.9743 134.9068 60.7501 30.7627 178.3546 18 I 3.9706 7.7052 118.5004 60.6871 36.2056 175.8088 19 D 4.7677 7.7755 119.4094 54.9688 47.3800 178.1577 20 V 3.6143 8.1274 118.6096 66.3202 31.4094 177.1014 21 Y 3.8888 7.7830 119.4420 60.8963 38.4142 177.8803 22 T 3.8369 7.5500 107.3748 63.2355 68.8980 174.9207 23 R 4.3145 7.2188 118.7970 57.4480 31.9423 177.5101 24 A 4.1370 7.7778 119.8996 53.1500 18.6664 177.6510 25 T 3.7708 7.1322 114.8931 63.4453 68.9178 173.0754 26 C 4.1031 7.7808 125.4523 56.5709 40.4270 173.0142 27 Q 4.5193 8.6585 123.0399 55.2069 32.1044 170.8995 28 P 5.0589 0.0000 0.0000 62.6935 32.3360 176.5206 29 R 4.6267 9.4025 118.9611 54.6369 33.1357 174.0396 30 E 4.1888 8.9150 120.6741 57.5335 30.2122 176.7935 31 V 4.4344 8.4911 122.8103 61.0813 35.4510 174.0861 32 V 4.4144 8.4483 127.5215 62.1829 32.5919 174.9239 33 V 4.3931 8.8835 128.4048 60.3595 33.6341 173.0813 34 P 4.5699 0.0000 0.0000 62.4946 32.0111 177.2419 35 L 4.4855 7.9655 124.9850 53.2924 39.9235 175.6543 36 T 4.0404 7.7259 117.9949 61.4395 68.5270 174.6006 37 V 3.8360 8.4114 122.8341 63.3493 31.1731 178.1011 *38 E 3.9075 7.9387 119.5955 59.4899 29.5185 183.8655 *39 L 4.3699 7.3376 116.2711 54.4583 39.3268 181.5973 40 M 4.2057 8.2273 125.0175 55.6538 32.6901 178.4011 41 G 3.9604 8.7987 110.6747 47.2597 0.0000 175.6358 *42 T 4.3113 7.4878 113.3903 58.6069 66.9041 179.8979 43 V 3.6102 8.1613 127.0821 64.9201 31.2433 176.9478 44 A 4.5244 7.9130 132.4515 51.0480 17.1244 178.2671 45 K 4.3157 8.5246 124.6859 57.5944 32.6336 174.2955 46 Q 4.4668 8.0017 119.5357 55.2747 31.7500 173.7212 47 L 5.1002 8.5902 126.5461 53.2290 44.0154 176.5614 48 V 4.4071 8.7429 122.9505 60.4442 34.3282 173.0874 49 P 4.7125 0.0000 0.0000 62.6359 32.4742 176.0714 50 S 4.6795 8.6339 114.0711 58.7562 63.1856 172.4976 51 C 5.0693 7.5052 111.2031 58.1792 32.1734 173.1262 52 V 4.7153 8.7008 112.3068 59.9164 36.1521 174.3977 53 T 5.0721 8.4213 112.2703 60.2586 70.7837 174.2116 54 V 4.5303 9.0286 118.3320 59.3237 36.5783 174.6887 55 Q 4.4237 8.9002 123.8138 56.4992 29.8436 175.6920 56 R 4.7482 8.5770 121.8821 54.6942 35.4312 172.8988 57 C 5.0889 8.8023 117.3136 56.3912 41.2030 173.8351 58 G 3.9837 9.6892 110.5758 44.8692 0.0000 169.9453 59 G 4.1104 9.0731 103.3340 44.2086 0.0000 171.9526 60 C 4.8075 8.7927 115.0831 57.1230 33.2770 172.0558 61 C 5.2534 8.2918 115.9874 54.4428 42.4125 174.2343 62 P 4.5399 0.0000 0.0000 62.1937 30.6292 175.7731 63 D 4.5498 8.1345 118.7290 53.9452 44.6972 175.7269 64 D 4.4802 8.5328 124.3679 55.2868 42.2423 174.9439 65 G 4.3387 9.0743 117.1301 46.1090 0.0000 174.1535 66 L 4.6229 7.3318 118.7232 54.3618 42.7471 175.7945 67 E 4.7282 9.2079 117.3937 55.3847 33.6360 173.1425 68 C 5.1480 8.6590 120.7809 55.5251 41.8816 173.0158 69 V 4.8248 8.9805 119.2663 58.7795 36.1615 173.1031 70 P 4.9745 0.0000 0.0000 62.9729 32.0283 175.9517 71 T 4.6144 8.5752 111.0463 60.8166 70.4436 173.7350 72 G 4.0578 8.0231 106.4182 46.7552 0.0000 172.9274 73 Q 5.3125 8.2493 122.9496 55.7118 32.1398 172.7463 74 H 4.5684 8.4990 112.6984 55.2334 32.0882 173.3303 75 Q 4.7637 8.8369 118.9373 55.5278 29.7842 175.4865 76 V 4.3854 9.0589 123.5875 61.1412 34.6251 174.6726 77 R 4.7606 8.5320 126.1664 55.2791 31.0217 175.5744 78 M 4.3636 9.3867 127.1327 54.0148 33.5116 175.2325 79 Q 4.6168 8.6841 126.3644 56.0221 29.8742 175.7996 80 I 4.5543 8.4040 124.6673 59.0798 40.8338 174.9366 81 L 4.3749 8.6941 128.2268 55.1755 42.6079 176.1085 82 M 4.9361 9.0766 123.9700 53.7614 35.0062 175.2005 83 I 4.9438 8.4616 121.9887 59.7105 42.2150 174.6044 84 R 4.1761 8.8180 126.4164 56.7163 32.4051 176.5337 85 Y 3.8309 9.0461 125.3738 58.6743 41.5257 176.4250 86 P 3.4119 0.0000 0.0000 63.5337 32.2907 175.8262 87 S 4.3416 7.5508 112.2174 58.6902 66.1980 174.8459 *88 S 5.0818 8.4114 117.6098 57.1596 66.2660 169.2601 89 Q 4.6220 8.7209 117.1285 54.6485 32.3551 174.2090 90 L 4.2213 8.6964 121.5668 55.3582 42.4275 176.8811 91 G 4.1827 9.0122 113.0959 45.0738 0.0000 171.6848 92 E 4.9602 8.4663 121.5763 55.7405 31.4428 174.4918 93 M 4.5742 9.1771 128.4440 54.1975 34.4903 174.5382 94 S 5.8775 8.7795 118.7867 55.5959 65.3597 172.6540 95 L 4.9083 8.1679 125.2961 53.9902 44.3321 174.4644 96 E 4.6753 8.6623 117.8999 56.1777 30.8206 175.6216 97 E 4.7225 9.3232 123.6815 54.7006 32.7084 174.2796 98 H 5.2262 9.0666 124.9660 55.5998 29.2797 175.3399 99 S 4.7980 9.7723 116.8812 58.7996 65.6795 173.7661 100 Q 4.7790 7.8340 118.0968 54.7095 33.1551 174.3290 101 C 5.5381 8.5459 118.0541 55.9935 41.9463 172.7706 102 E 4.8049 9.2730 118.2023 55.7877 34.3505 173.9023 103 C 5.8060 8.5939 119.4827 55.5090 41.5491 173.4276 104 R 4.8690 8.3305 122.0414 53.2463 34.1333 173.3653 105 P 4.6776 0.0000 0.0000 63.2853 32.2409 176.8689 *106 K 4.1789 8.1463 125.7732 55.9280 32.2907 179.9466 107 K 4.1163 8.3751 126.8480 54.3180 32.9055 177.3304 *108 K 4.1936 8.4803 116.5959 56.7757 32.3269 171.4361 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 13 K 8.31 4.28 0.00 1.77 1.76 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.39 7.81 14 V 7.78 4.15 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 0.81 0.00 0.00 0.95 0.00 0.00 15 V 8.44 4.18 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 0.85 0.00 0.00 0.95 0.00 0.00 16 S 8.47 4.37 0.00 3.94 4.05 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 17 W 8.97 4.23 0.00 3.42 3.29 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 0.00 0.00 0.00 0.00 18 I 7.71 3.97 1.92 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.99 0.89 0.00 0.00 19 D 7.78 4.77 0.00 2.94 2.60 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 20 V 8.13 3.61 2.09 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 1.05 0.00 0.00 1.03 0.00 0.00 21 Y 7.78 3.89 0.00 2.09 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 22 T 7.55 3.84 4.14 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 1.15 0.00 0.00 23 R 7.22 4.31 0.00 1.88 1.93 0.00 3.12 0.00 0.00 3.19 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.70 0.00 24 A 7.78 4.14 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 25 T 7.13 3.77 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 1.02 0.00 0.00 26 C 7.78 4.10 0.00 3.10 2.98 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 27 Q 8.66 4.52 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.78 0.00 0.00 0.00 0.00 0.00 2.15 2.14 0.00 28 P 0.00 5.06 0.00 1.96 2.20 0.00 3.69 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 2.02 2.08 0.00 29 R 9.40 4.63 0.00 1.77 1.94 0.00 2.78 0.00 0.00 3.14 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 30 E 8.92 4.19 0.00 1.85 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 2.31 2.33 0.00 31 V 8.49 4.43 2.20 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 0.72 0.00 0.00 0.94 0.00 0.00 32 V 8.45 4.41 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 0.79 0.00 0.00 0.92 0.00 0.00 33 V 8.88 4.39 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 0.91 0.00 0.00 0.95 0.00 0.00 34 P 0.00 4.57 0.00 1.97 1.96 0.00 3.70 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 35 L 7.97 4.49 0.00 1.66 1.62 0.95 0.90 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 36 T 7.73 4.04 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 37 V 8.41 3.84 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 0.93 0.00 0.00 *38 E 7.94 3.91 0.00 2.04 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 2.27 2.16 0.00 *39 L 7.34 4.37 0.00 1.64 1.53 0.92 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 40 M 8.23 4.21 0.00 2.04 2.01 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 2.69 2.66 0.00 41 G 8.80 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 0.00 0.00 0.00 *42 T 7.49 4.31 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 1.21 0.00 0.00 43 V 8.16 3.61 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 0.85 0.00 0.00 0.93 0.00 0.00 44 A 7.91 4.52 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 45 K 8.52 4.32 0.00 1.56 1.73 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.36 1.01 7.81 46 Q 8.00 4.47 0.00 2.10 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.77 0.00 0.00 0.00 0.00 0.00 2.25 2.47 0.00 47 L 8.59 5.10 0.00 1.54 1.73 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 48 V 8.74 4.41 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 1.00 0.00 0.00 0.95 0.00 0.00 49 P 0.00 4.71 0.00 2.30 2.03 0.00 3.81 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.96 0.00 50 S 8.63 4.68 0.00 3.93 3.86 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 51 C 7.51 5.07 0.00 3.13 2.84 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 52 V 8.70 4.72 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 0.73 0.00 0.00 0.92 0.00 0.00 53 T 8.42 5.07 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 1.20 0.00 0.00 54 V 9.03 4.53 2.03 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 0.85 0.00 0.00 0.88 0.00 0.00 55 Q 8.90 4.42 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.64 0.00 0.00 0.00 0.00 0.00 2.43 2.39 0.00 56 R 8.58 4.75 0.00 1.63 1.67 0.00 2.92 0.00 0.00 2.69 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 57 C 8.80 5.09 0.00 2.92 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 58 G 9.69 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 0.00 0.00 0.00 59 G 9.07 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 0.00 0.00 0.00 0.00 60 C 8.79 4.81 0.00 3.06 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.29 5.25 0.00 2.98 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.54 0.00 2.11 2.20 0.00 3.81 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 2.14 2.27 0.00 63 D 8.13 4.55 0.00 2.58 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 64 D 8.53 4.48 0.00 2.69 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 65 G 9.07 4.34 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 0.00 66 L 7.33 4.62 0.00 1.65 1.64 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 67 E 9.21 4.73 0.00 1.97 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 2.39 2.24 0.00 68 C 8.66 5.15 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 69 V 8.98 4.82 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 0.69 0.00 0.00 0.97 0.00 0.00 70 P 0.00 4.97 0.00 1.88 1.56 0.00 3.65 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 1.86 1.65 0.00 71 T 8.58 4.61 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 1.23 0.00 0.00 72 G 8.02 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 Q 8.25 5.31 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.88 0.00 0.00 0.00 0.00 0.00 2.22 2.37 0.00 74 H 8.50 4.57 0.00 3.20 3.35 0.00 5.25 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 Q 8.84 4.76 0.00 1.96 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.30 0.00 76 V 9.06 4.39 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 0.96 0.00 0.00 0.94 0.00 0.00 77 R 8.53 4.76 0.00 1.73 1.87 0.00 3.61 0.00 0.00 3.15 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 78 M 9.39 4.36 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.54 0.00 79 Q 8.68 4.62 0.00 1.97 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.49 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 80 I 8.40 4.55 1.87 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 1.45 1.02 0.91 0.00 0.00 81 L 8.69 4.37 0.00 1.78 1.60 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 82 M 9.08 4.94 0.00 1.93 2.03 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.49 0.00 83 I 8.46 4.94 2.03 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 1.11 0.71 0.95 0.00 0.00 84 R 8.82 4.18 0.00 1.82 1.72 0.00 3.18 0.00 0.00 3.10 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 85 Y 9.05 3.83 0.00 3.02 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 86 P 0.00 3.41 0.00 1.96 1.88 0.00 3.79 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 1.98 2.08 0.00 87 S 7.55 4.34 0.00 3.66 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 *88 S 8.41 5.08 0.00 3.37 3.54 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 0.00 0.00 0.00 89 Q 8.72 4.62 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.96 0.00 0.00 0.00 0.00 0.00 2.21 2.32 0.00 90 L 8.70 4.22 0.00 1.55 1.66 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 91 G 9.01 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 92 E 8.47 4.96 0.00 1.94 1.82 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 2.19 2.30 0.00 93 M 9.18 4.57 0.00 2.10 1.89 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.46 0.00 94 S 8.78 5.88 0.00 3.87 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 95 L 8.17 4.91 0.00 1.72 1.69 0.89 0.58 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 96 E 8.66 4.68 0.00 2.03 2.20 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 2.28 2.33 0.00 97 E 9.32 4.72 0.00 1.85 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.42 0.00 98 H 9.07 5.23 0.00 3.04 3.19 0.00 5.68 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 S 9.77 4.80 0.00 3.80 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 0.00 100 Q 7.83 4.78 0.00 2.05 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.79 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 101 C 8.55 5.54 0.00 2.77 2.99 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 0.00 102 E 9.27 4.80 0.00 1.82 1.77 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 2.23 2.27 0.00 103 C 8.59 5.81 0.00 2.85 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 0.00 104 R 8.33 4.87 0.00 1.67 1.76 0.00 3.31 0.00 0.00 3.33 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 105 P 0.00 4.68 0.00 1.93 2.02 0.00 3.68 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 2.12 0.00 *106 K 8.15 4.18 0.00 1.59 1.60 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.39 1.27 7.81 107 K 8.38 4.12 0.00 1.77 1.68 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.36 1.00 7.81 *108 K 8.48 4.19 0.00 1.51 1.65 0.00 1.58 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.