NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 23 A 4.3231 8.2644 123.5888 52.0871 19.9190 176.1680 24 S 4.4217 8.5297 117.6459 56.5675 63.4611 172.0909 25 I 4.1754 8.3465 124.5230 61.6768 39.2005 175.6821 26 V 3.3991 7.6515 120.9610 62.2903 31.9150 176.2145 27 G 3.7042 7.6665 113.7438 44.5070 0.0000 170.3645 28 S 4.6718 7.5069 115.5409 56.4278 65.3052 173.5914 29 W 5.2037 9.0832 124.5265 55.0253 31.7277 175.1155 30 V 5.3718 9.2918 117.8936 59.6059 35.9448 174.3997 31 E 5.1203 9.4096 120.0327 53.8183 33.0260 173.5975 32 P 4.8035 0.0000 0.0000 62.7951 32.7842 175.8904 33 V 4.1253 8.4691 122.9505 60.9605 32.7115 173.8862 34 P 4.4046 0.0000 0.0000 64.0143 31.6206 177.1045 35 G 3.8931 8.9377 109.9193 45.5080 0.0000 173.0077 36 L 4.6215 7.5691 120.3362 52.3495 43.2210 175.9210 37 E 4.0029 8.8757 123.9768 57.8368 29.8040 177.2430 38 G 4.0024 8.9176 110.1562 46.3122 0.0000 172.7563 39 Q 4.7802 7.7178 117.0065 53.8445 32.1125 175.1483 40 V 5.1878 8.3445 115.0065 59.9362 36.1853 174.3650 41 Q 4.7172 8.8462 118.7011 54.9729 32.1621 175.0633 42 G 4.0904 7.5963 106.5507 46.3752 0.0000 171.0401 43 I 4.8503 7.4711 121.0353 59.1602 41.6041 176.0249 44 K 4.9420 8.7618 129.5965 53.8350 35.5741 174.1969 *46 E 4.5367 8.4132 118.7856 55.8704 31.1039 176.0165 47 E 4.3901 8.8253 120.6194 58.0950 30.0431 177.8272 48 G 3.7667 8.8629 108.8029 45.5679 0.0000 174.7935 49 G 3.2460 7.6498 107.0888 44.7682 0.0000 173.6346 50 V 4.4888 7.6608 119.7366 62.5966 32.1090 174.9794 51 A 5.4034 8.7322 129.0959 50.4942 22.3146 175.1886 52 S 5.0859 8.8614 112.8230 56.7932 66.8882 173.7432 53 S 4.8851 8.8385 117.5098 58.6202 64.0444 173.8920 54 V 3.9979 8.8495 124.1335 61.8819 32.9923 172.7691 55 N 4.3749 8.8920 128.2092 53.8219 36.2436 172.6587 *57 A 4.4350 8.0844 124.4266 51.9155 21.1621 178.4404 58 T 4.0837 7.9270 112.1419 65.8465 69.8970 174.3607 59 L 4.6967 7.9257 123.8500 53.5991 43.3516 176.4533 60 V 4.2745 8.6865 128.9669 61.1831 32.1081 174.4393 61 Y 4.5433 8.9224 126.1782 58.2584 38.8620 176.5897 62 E 4.7531 9.7322 119.9880 57.5112 33.5799 175.7113 63 S 5.3256 8.0416 111.8299 57.0794 66.8919 173.3345 64 W 5.8506 8.5456 116.8842 55.3875 31.5245 174.2729 65 K 4.1228 9.0981 121.1782 55.4149 35.6966 173.8331 66 Q 5.1271 8.7266 128.5030 54.5432 30.9018 174.4959 67 E 4.5234 8.8812 125.7319 55.0777 32.4397 176.1476 68 G 3.8342 8.2768 116.2521 47.3587 0.0000 173.4499 69 T 4.3478 8.4663 115.3546 61.3320 69.2812 174.0653 70 K 4.7776 8.1276 122.6433 55.4551 34.4758 175.2436 71 L 5.2151 8.3092 123.6329 53.5281 45.3446 174.8478 72 I 4.7445 9.1156 127.9020 59.9221 39.1274 174.6398 73 L 5.6175 9.3206 127.6811 53.1663 44.8345 175.7821 74 T 4.8614 9.5390 113.0283 59.7253 72.5886 174.2973 75 G 3.1950 6.0021 107.6338 45.7034 0.0000 171.5133 76 K 5.2025 7.9087 118.4726 55.3738 36.9475 175.2147 77 S 5.2510 9.1751 115.6377 56.7133 65.3669 172.8454 78 I 4.5889 8.5552 125.4590 59.6982 38.6093 175.3344 79 G 4.1662 8.7467 116.6762 43.4297 0.0000 171.7596 80 N 4.3801 8.6387 118.6987 53.8632 37.7347 175.5199 81 G 3.9606 9.4593 115.7751 46.1985 0.0000 172.2097 82 Q 4.6981 7.4498 116.7716 53.4759 32.2584 178.3430 83 T 5.2634 8.1111 107.5264 60.6577 72.2846 173.2063 84 I 4.6808 8.7964 123.6140 59.6978 41.0835 174.8175 85 E 4.7038 8.9489 126.6286 56.1882 30.3740 175.9589 86 F 5.0856 8.5852 116.9867 55.2137 42.1529 174.0718 87 V 4.7281 8.6007 118.7699 61.6871 33.6971 173.9393 88 D 5.1932 9.5923 128.7100 52.9411 43.4509 176.0272 89 T 5.2622 8.3003 117.7941 61.0397 72.0646 173.3019 *91 D 4.4010 8.3415 121.6296 54.4170 42.7368 174.7691 92 I 4.4311 8.5894 124.8792 60.7291 37.0881 175.8746 93 K 4.3247 9.0947 127.8167 57.9287 33.3018 177.4469 94 R 4.5928 7.5818 118.7579 54.9898 33.7592 174.0687 95 L 4.7551 8.3593 128.1519 54.4977 43.8862 174.1731 96 T 4.7624 8.9030 116.8186 59.3665 71.9804 174.5392 97 A 4.1720 8.7833 123.0887 54.7845 18.5540 178.0175 98 D 4.9862 7.8131 110.2729 54.3869 42.7616 175.8593 99 S 5.5248 8.4054 114.8313 56.9052 68.0975 172.9782 100 L 4.6178 8.7498 123.9238 53.4601 45.3325 174.8860 101 V 4.7778 8.7104 126.6266 61.1132 33.9960 174.1863 102 L 5.2097 8.6836 127.4612 53.0407 45.1935 175.3759 103 D 4.8175 8.8515 121.0184 52.8659 43.8079 174.3465 104 N 4.8064 8.8667 125.4599 52.5921 40.7977 174.9923 105 Q 3.2329 8.2560 126.9347 57.5630 28.1229 177.8754 106 G 3.7294 8.5112 110.8834 44.7125 0.0000 171.4178 *108 E 4.1791 7.7438 120.4990 56.1602 31.3158 174.4146 109 I 4.4289 8.6869 128.2208 59.6932 41.2202 174.5658 110 R 4.9839 8.3310 128.6689 55.3285 31.6346 172.9232 111 Y 5.1592 9.2171 121.7305 55.3132 41.5392 174.6253 112 A 5.4202 9.1180 123.2963 49.9152 22.3802 175.8605 113 K 3.7117 8.5632 122.5525 56.0178 32.8974 176.8058 114 Q 4.1290 8.5733 128.2410 56.3530 28.5926 175.3981 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 23 A 8.26 4.32 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 24 S 8.53 4.42 0.00 3.98 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 25 I 8.35 4.18 1.80 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.59 0.57 0.00 0.00 26 V 7.65 3.40 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 0.81 0.00 0.00 1.09 0.00 0.00 27 G 7.67 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 28 S 7.51 4.67 0.00 3.54 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 29 W 9.08 5.20 0.00 2.70 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 30 V 9.29 5.37 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 0.75 0.00 0.00 1.03 0.00 0.00 31 E 9.41 5.12 0.00 1.94 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 2.50 2.32 0.00 32 P 0.00 4.80 0.00 1.97 2.04 0.00 3.67 0.00 0.00 3.61 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 33 V 8.47 4.13 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 0.97 0.00 0.00 0.93 0.00 0.00 34 P 0.00 4.40 0.00 2.08 1.98 0.00 3.81 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 2.03 2.09 0.00 35 G 8.94 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 7.57 4.62 0.00 1.73 1.59 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 37 E 8.88 4.00 0.00 1.96 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 2.32 2.32 0.00 38 G 8.92 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 39 Q 7.72 4.78 0.00 2.02 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.12 6.56 0.00 0.00 0.00 0.00 0.00 2.26 2.47 0.00 40 V 8.34 5.19 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 0.76 0.00 0.00 0.95 0.00 0.00 41 Q 8.85 4.72 0.00 2.22 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.75 0.00 0.00 0.00 0.00 0.00 2.31 2.44 0.00 42 G 7.60 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 0.00 0.00 0.00 0.00 43 I 7.47 4.85 1.38 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.95 0.47 0.00 0.00 44 K 8.76 4.94 0.00 1.75 1.75 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.30 1.14 7.81 *46 E 8.41 4.54 0.00 2.29 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 47 E 8.83 4.39 0.00 2.29 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 1.88 0.00 48 G 8.86 3.77 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 0.00 0.00 0.00 49 G 7.65 3.25 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 0.00 0.00 0.00 0.00 50 V 7.66 4.49 2.19 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 0.91 0.00 0.00 0.97 0.00 0.00 51 A 8.73 5.40 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 52 S 8.86 5.09 0.00 3.91 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 53 S 8.84 4.89 0.00 3.89 3.97 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 54 V 8.85 4.00 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 0.94 0.00 0.00 0.91 0.00 0.00 55 N 8.89 4.37 0.00 2.88 2.94 0.00 0.00 7.16 7.96 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 *57 A 8.08 4.43 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 58 T 7.93 4.08 4.26 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 1.29 0.00 0.00 59 L 7.93 4.70 0.00 1.62 1.63 0.70 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 60 V 8.69 4.27 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 0.91 0.00 0.00 0.97 0.00 0.00 61 Y 8.92 4.54 0.00 3.08 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 62 E 9.73 4.75 0.00 1.76 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.32 0.00 63 S 8.04 5.33 0.00 3.94 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 64 W 8.55 5.85 0.00 3.48 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 65 K 9.10 4.12 0.00 1.64 1.58 0.00 1.49 0.00 0.00 1.52 0.00 0.00 2.83 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.29 1.22 7.81 66 Q 8.73 5.13 0.00 2.36 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.65 0.00 0.00 0.00 0.00 0.00 2.32 2.60 0.00 67 E 8.88 4.52 0.00 2.04 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 2.20 2.21 0.00 68 G 8.28 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 0.00 0.00 0.00 69 T 8.47 4.35 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 70 K 8.13 4.78 0.00 1.82 1.78 0.00 1.63 0.00 0.00 1.73 0.00 0.00 2.77 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.53 7.81 71 L 8.31 5.22 0.00 1.74 1.50 1.19 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 72 I 9.12 4.74 1.92 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 1.27 0.75 1.02 0.00 0.00 73 L 9.32 5.62 0.00 1.87 1.98 0.88 0.34 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 74 T 9.54 4.86 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 1.23 0.00 0.00 75 G 6.00 3.19 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 K 7.91 5.20 0.00 1.79 1.93 0.00 1.24 0.00 0.00 1.81 0.00 0.00 3.19 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.23 1.34 7.81 77 S 9.18 5.25 0.00 3.89 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 78 I 8.56 4.59 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.63 0.92 0.00 0.00 79 G 8.75 4.17 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 80 N 8.64 4.38 0.00 2.68 2.79 0.00 0.00 6.91 7.98 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 81 G 9.46 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 82 Q 7.45 4.70 0.00 1.93 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.78 0.00 0.00 0.00 0.00 0.00 2.25 1.90 0.00 83 T 8.11 5.26 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 84 I 8.80 4.68 1.93 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 1.25 0.81 0.96 0.00 0.00 85 E 8.95 4.70 0.00 1.82 1.78 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 2.25 2.19 0.00 86 F 8.59 5.09 0.00 3.05 3.08 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 0.00 0.00 0.00 87 V 8.60 4.73 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 0.89 0.00 0.00 0.94 0.00 0.00 88 D 9.59 5.19 0.00 2.82 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 89 T 8.30 5.26 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 1.24 0.00 0.00 *91 D 8.34 4.40 0.00 2.73 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 92 I 8.59 4.43 1.92 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 1.15 0.55 0.86 0.00 0.00 93 K 9.09 4.32 0.00 1.54 1.83 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.66 7.81 94 R 7.58 4.59 0.00 1.81 1.65 0.00 3.15 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 95 L 8.36 4.76 0.00 1.49 1.45 0.85 0.84 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 96 T 8.90 4.76 4.29 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 1.23 0.00 0.00 97 A 8.78 4.17 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 98 D 7.81 4.99 0.00 2.80 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 99 S 8.41 5.52 0.00 3.78 3.73 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 0.00 100 L 8.75 4.62 0.00 0.27 0.65 0.44 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 101 V 8.71 4.78 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 0.89 0.00 0.00 0.89 0.00 0.00 102 L 8.68 5.21 0.00 1.63 1.51 0.96 0.46 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 0.00 103 D 8.85 4.82 0.00 2.59 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 0.00 104 N 8.87 4.81 0.00 2.71 2.70 0.00 0.00 7.31 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 0.00 105 Q 8.26 3.23 0.00 2.22 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.20 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 106 G 8.51 3.73 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 0.00 0.00 0.00 *108 E 7.74 4.18 0.00 1.93 1.87 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 2.13 2.44 0.00 109 I 8.69 4.43 1.69 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.12 0.84 0.00 0.00 110 R 8.33 4.98 0.00 1.61 1.67 0.00 3.27 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.19 0.00 111 Y 9.22 5.16 0.00 2.97 3.02 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 0.00 112 A 9.12 5.42 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 0.00 0.00 0.00 0.00 0.00 0.00 113 K 8.56 3.71 0.00 1.43 1.53 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.56 0.00 0.00 2.26 0.00 0.00 0.00 0.00 1.18 0.98 7.81 114 Q 8.57 4.13 0.00 1.93 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.32 0.00 0.00 0.00 0.00 0.00 2.30 2.26 0.00 * Residues marked with a * may have inaccurate shift predictions.