NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 N 4.7193 8.4249 118.2189 52.8010 39.3199 174.8064 4 Q 4.1258 7.8037 117.3790 54.4346 29.7721 172.9113 5 E 4.2299 9.0217 121.4691 58.6684 31.6910 176.6532 6 V 5.0009 7.7408 117.1600 60.9878 34.7860 175.1884 7 V 4.4735 8.7024 125.9298 61.0884 34.9893 173.4145 8 L 5.1103 8.6658 129.4055 53.5062 43.6605 175.3143 9 S 4.9385 8.7321 122.2673 56.8247 65.4301 173.6662 10 I 4.7324 8.2235 122.6830 59.5237 40.5994 174.2932 11 D 4.8851 9.1187 125.1245 52.3335 44.2172 173.8672 12 A 4.8052 8.6836 127.1382 50.0202 21.4839 175.2097 13 I 4.3601 8.1431 123.2523 59.1363 40.7793 174.7457 14 Q 4.2182 8.7757 129.3230 56.0036 29.4738 175.0937 15 E 4.6133 8.6997 125.9662 53.4884 32.1567 173.9641 16 P 4.1279 0.0000 0.0000 66.8927 31.3879 178.2797 17 E 4.1990 7.7924 112.8399 56.4159 30.3981 177.5047 18 Q 4.4523 6.9843 114.7287 56.8816 31.8656 172.3764 19 I 4.6468 8.1859 120.1733 59.2231 40.0186 174.8999 20 K 4.7368 8.4780 127.9411 54.4842 34.8338 174.6108 21 F 5.1959 9.1945 125.6634 55.8872 41.7768 174.4346 22 N 4.9472 8.9529 121.0680 51.2158 42.4416 173.6956 *24 S 4.3410 8.2854 113.4693 58.2333 64.0836 171.9449 25 L 4.7470 9.0064 130.5613 53.8718 43.3341 174.8263 26 K 4.7360 8.9820 128.7871 54.5698 35.0132 174.3660 27 N 5.1364 9.1694 127.2397 53.0613 39.3180 174.8343 28 Q 4.6067 9.0612 125.7873 55.9014 29.5823 176.5171 29 S 4.4682 8.2998 114.9049 57.6657 64.0471 173.9474 30 E 4.3834 8.8063 117.7694 56.1755 29.5217 176.6307 31 R 4.8638 7.6136 115.0645 53.7649 32.5259 175.4161 32 A 4.4799 8.5686 121.9919 52.1712 19.4977 176.9722 33 I 4.4338 8.8041 121.7658 59.3881 40.7330 174.1692 34 E 4.9374 8.5985 127.8566 55.1772 31.3868 174.4726 35 F 5.0081 9.6345 125.4977 55.7841 42.1950 174.4248 36 Q 5.3941 8.6016 121.0265 54.2520 32.2303 174.6451 37 F 5.1774 9.3244 120.3877 55.9479 42.7261 175.9914 38 S 4.4581 8.9347 115.0310 58.6376 63.9919 173.4429 39 T 4.9208 6.8376 108.9811 58.0548 71.7505 173.7874 40 G 3.7430 8.6883 108.8171 49.0890 0.0000 174.4396 41 Q 3.7122 7.5564 122.0140 56.4100 28.9024 176.3397 42 K 4.2784 8.5822 125.0497 57.6199 34.2496 175.9227 43 F 5.2816 7.3394 112.0053 55.2722 41.5766 173.3777 44 E 4.8662 9.5626 119.4798 54.3497 33.0992 174.1537 45 L 5.3321 8.5078 126.0402 53.4993 46.0917 174.9592 46 V 4.5834 8.6267 124.9545 61.0654 35.3112 173.8703 47 V 4.6260 8.4162 128.0508 61.5604 33.1924 173.8710 48 Y 5.1863 9.2358 126.7193 56.8247 40.4739 175.6001 49 D 5.2770 8.6784 123.1119 51.8474 42.2425 177.0718 50 S 4.1272 8.4946 112.0145 60.4363 62.9418 174.4966 51 E 4.4516 9.1407 120.9418 55.9407 29.4431 175.9517 52 H 4.5375 8.3557 114.2405 56.6781 27.1547 175.0577 53 K 4.3691 7.7322 118.4675 55.8308 32.6445 176.4389 54 E 4.3477 8.7332 122.6230 56.5923 29.8250 176.9223 55 R 4.5139 9.0624 124.1092 57.6205 31.7631 176.3419 56 Y 4.7276 7.0639 118.5807 55.9721 42.6641 173.7771 57 R 4.4308 7.5440 125.0363 54.6144 32.7638 174.2914 58 Y 3.8691 8.3082 128.8922 61.0068 38.6754 177.8990 59 S 3.9646 8.2725 113.3276 60.6306 62.7926 174.4064 60 K 3.8933 7.2188 119.6092 57.7345 32.0946 176.7342 61 E 3.8845 8.9534 120.7803 56.5817 26.8918 174.2823 62 K 4.3661 7.0751 119.1203 54.6506 34.9453 175.2935 *64 F 4.4134 8.3729 117.0716 58.1933 40.1332 175.1065 65 T 4.0587 8.2087 120.2274 63.9573 69.3976 174.9022 66 Q 4.3044 8.3167 125.3857 54.5910 27.1616 174.7490 67 A 4.7571 7.1696 120.9707 49.7442 22.2335 177.3132 68 F 4.5368 8.7733 120.7342 57.7826 40.1046 174.8492 69 Q 4.7768 9.6248 119.8474 54.4121 33.4761 174.2231 70 N 5.4486 8.8451 117.9234 51.7612 42.0307 173.4621 71 L 4.9178 9.4981 126.6992 53.4347 45.3939 175.0377 72 T 5.1202 8.6923 122.1089 61.8979 70.8007 173.5787 73 L 4.7731 9.1054 127.8552 53.4351 43.0387 176.6168 74 E 4.4418 9.8157 124.6071 55.6464 30.8419 176.5554 75 S 4.1766 8.7097 115.6727 61.0556 62.3653 175.0747 76 G 4.0003 8.7306 117.1833 45.1089 0.0000 173.0091 77 E 4.3856 8.2202 121.0584 56.2776 30.8854 175.6222 78 T 5.1046 8.4333 114.1581 60.0535 71.9779 172.5311 79 Y 4.6228 9.1041 125.4898 56.3916 40.4077 173.8746 80 D 5.2283 8.1391 126.9471 52.9140 42.7662 175.9274 81 F 4.9679 7.8321 115.6604 56.1100 40.5784 172.8206 82 S 4.7485 8.4414 114.0263 57.7028 66.6577 171.9153 83 D 4.9788 9.2735 118.1440 53.1980 44.9890 173.6496 84 V 4.8536 8.6143 122.9086 60.8662 34.0090 174.3356 85 W 4.0900 9.2047 135.0000 55.2326 31.9792 176.0444 86 K 4.5276 8.4895 130.6658 55.7300 32.2185 176.3750 87 E 4.2215 6.8407 113.2694 54.6710 31.5984 175.0364 88 V 3.1249 8.0666 124.9115 62.0320 32.1968 173.8896 89 P 4.6539 0.0000 0.0000 61.1700 33.7848 174.9678 90 E 4.2564 8.5759 115.4580 55.4621 30.3827 174.5745 91 P 4.4261 0.0000 0.0000 62.8949 32.0911 176.1206 92 G 4.2660 7.8634 108.7815 44.3871 0.0000 171.4308 93 T 4.8793 7.5044 116.7436 62.5802 69.8636 174.2115 94 Y 4.8311 8.8712 122.2095 56.2770 43.2871 173.8422 95 E 5.4504 9.3511 119.4787 54.7419 33.5345 175.4346 96 V 4.8786 9.1830 124.1091 59.8739 34.1413 174.4793 97 K 5.0144 9.0131 126.4430 54.6821 34.6389 174.5095 98 V 5.0091 8.6568 127.9506 61.6192 33.9245 174.4517 99 T 5.2043 9.1244 124.0937 61.7339 71.8423 172.7393 100 F 4.9529 9.2938 129.3774 57.6948 39.7284 175.8046 101 K 4.0241 8.4660 125.7841 58.1132 32.6144 177.9494 102 G 2.3542 6.0885 106.9310 45.5363 0.0000 173.3252 103 R 4.7783 8.6677 122.0556 54.1297 32.5411 174.7610 104 A 4.7934 8.3376 125.7216 49.0813 21.3620 175.8224 105 E 3.9149 8.5216 122.1852 57.3103 30.2982 176.3458 106 N 4.2474 8.7950 122.4702 54.3241 36.1860 174.1116 107 L 4.7603 7.4726 115.9223 52.4032 45.3334 177.1870 108 K 3.9092 8.7782 122.4994 56.4930 32.6164 176.4737 109 Q 3.9840 8.5845 122.8048 56.7701 29.5965 176.1443 110 V 4.3048 8.4806 124.5499 62.0981 32.4960 174.5144 111 Q 5.2022 8.6963 124.9130 54.5527 32.0399 174.0639 112 A 4.9238 8.9769 121.1498 50.4083 22.9015 175.3867 113 V 5.0654 8.3321 111.6772 59.9172 35.7631 175.5963 114 Q 4.5198 8.8405 123.7594 55.2078 32.1218 173.9303 115 Q 4.9532 8.9608 126.3731 56.4093 29.8928 175.7110 116 F 5.0637 9.0900 115.9151 56.0606 41.6541 172.5899 117 E 5.0845 8.9750 120.9250 55.1515 31.1888 175.4541 118 V 4.3530 9.1662 124.9597 61.6871 33.3282 176.2266 119 K 4.2391 9.2977 126.8807 56.6098 32.3065 175.8886 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 3 N 8.42 4.72 0.00 2.85 3.02 0.00 0.00 6.11 6.50 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 4 Q 7.80 4.13 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 7.08 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 5 E 9.02 4.23 0.00 1.94 2.01 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 2.40 2.31 0.00 6 V 7.74 5.00 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 0.85 0.00 0.00 1.10 0.00 0.00 7 V 8.70 4.47 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 0.96 0.00 0.00 1.00 0.00 0.00 8 L 8.67 5.11 0.00 1.64 1.54 1.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 9 S 8.73 4.94 0.00 3.69 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 10 I 8.22 4.73 1.89 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 1.16 0.58 0.93 0.00 0.00 11 D 9.12 4.89 0.00 2.60 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 A 8.68 4.81 0.73 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 13 I 8.14 4.36 1.70 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.68 0.82 0.00 0.00 14 Q 8.78 4.22 0.00 2.06 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.80 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 15 E 8.70 4.61 0.00 1.99 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 2.16 2.13 0.00 16 P 0.00 4.13 0.00 1.98 2.03 0.00 3.61 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 1.99 2.06 0.00 17 E 7.79 4.20 0.00 1.98 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 2.21 1.86 0.00 18 Q 6.98 4.45 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.84 0.00 0.00 0.00 0.00 0.00 2.12 2.23 0.00 19 I 8.19 4.65 1.85 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.90 0.29 0.00 0.00 20 K 8.48 4.74 0.00 1.63 1.41 0.00 1.47 0.00 0.00 1.58 0.00 0.00 2.80 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.19 1.30 7.81 21 F 9.19 5.20 0.00 2.93 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 N 8.95 4.95 0.00 2.48 2.56 0.00 0.00 6.16 7.45 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 *24 S 8.29 4.34 0.00 3.80 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 25 L 9.01 4.75 0.00 1.64 1.41 0.52 -1.06 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 26 K 8.98 4.74 0.00 1.85 1.78 0.00 1.57 0.00 0.00 1.57 0.00 0.00 2.85 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.39 7.81 27 N 9.17 5.14 0.00 2.90 2.96 0.00 0.00 6.76 7.57 0.00 0.00 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 Q 9.06 4.61 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.72 0.00 0.00 0.00 0.00 0.00 2.35 2.30 0.00 29 S 8.30 4.47 0.00 4.00 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 30 E 8.81 4.38 0.00 1.98 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 0.00 2.30 2.26 0.00 31 R 7.61 4.86 0.00 1.78 1.86 0.00 3.05 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.53 0.00 32 A 8.57 4.48 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 33 I 8.80 4.43 1.90 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 1.03 0.97 0.30 0.00 0.00 34 E 8.60 4.94 0.00 2.03 1.73 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 2.36 2.50 0.00 35 F 9.63 5.01 0.00 3.12 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.60 5.39 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.73 0.00 0.00 0.00 0.00 0.00 2.46 2.29 0.00 37 F 9.32 5.18 0.00 2.84 2.89 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 38 S 8.93 4.46 0.00 3.73 4.02 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 39 T 6.84 4.92 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 1.14 0.00 0.00 40 G 8.69 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 41 Q 7.56 3.71 0.00 0.93 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.74 0.00 0.00 0.00 0.00 0.00 1.92 1.16 0.00 42 K 8.58 4.28 0.00 1.72 1.57 0.00 1.04 0.00 0.00 1.32 0.00 0.00 2.78 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.37 1.40 7.81 43 F 7.34 5.28 0.00 3.11 2.65 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 44 E 9.56 4.87 0.00 2.01 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 2.28 0.00 45 L 8.51 5.33 0.00 1.99 1.66 0.71 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 46 V 8.63 4.58 1.90 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 0.20 0.00 0.00 0.85 0.00 0.00 47 V 8.42 4.63 1.43 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 0.95 0.00 0.00 0.71 0.00 0.00 48 Y 9.24 5.19 0.00 3.02 2.93 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 0.00 0.00 0.00 49 D 8.68 5.28 0.00 2.70 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 50 S 8.49 4.13 0.00 3.89 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 51 E 9.14 4.45 0.00 2.08 1.98 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 2.22 2.22 0.00 52 H 8.36 4.54 0.00 3.26 3.32 0.00 5.67 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 K 7.73 4.37 0.00 2.21 1.79 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.46 7.81 54 E 8.73 4.35 0.00 1.92 1.72 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 2.07 2.41 0.00 55 R 9.06 4.51 0.00 1.34 2.23 0.00 3.54 0.00 0.00 3.29 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 2.12 0.00 56 Y 7.06 4.73 0.00 1.43 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 0.00 0.00 0.00 57 R 7.54 4.43 0.00 1.61 1.46 0.00 3.14 0.00 0.00 3.27 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.53 0.00 58 Y 8.31 3.87 0.00 3.20 3.07 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 59 S 8.27 3.96 0.00 4.18 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 60 K 7.22 3.89 0.00 2.11 1.67 0.00 1.94 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.48 1.29 7.81 61 E 8.95 3.88 0.00 2.10 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 0.00 2.17 2.30 0.00 62 K 7.08 4.37 0.00 1.39 0.88 0.00 0.97 0.00 0.00 1.28 0.00 0.00 2.83 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.08 1.23 7.81 *64 F 8.37 4.41 0.00 3.02 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 T 8.21 4.06 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 66 Q 8.32 4.30 0.00 1.95 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.69 0.00 0.00 0.00 0.00 0.00 2.28 2.24 0.00 67 A 7.17 4.76 1.19 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 68 F 8.77 4.54 0.00 2.98 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 69 Q 9.62 4.78 0.00 1.92 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.18 2.24 0.00 70 N 8.85 5.45 0.00 2.61 2.77 0.00 0.00 6.67 7.85 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 71 L 9.50 4.92 0.00 1.94 1.98 0.92 0.63 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 T 8.69 5.12 4.32 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 1.27 0.00 0.00 73 L 9.11 4.77 0.00 1.89 1.75 0.91 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 74 E 9.82 4.44 0.00 1.88 1.90 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 2.48 2.44 0.00 75 S 8.71 4.18 0.00 3.86 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 76 G 8.73 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 77 E 8.22 4.39 0.00 2.12 2.01 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 2.38 2.31 0.00 78 T 8.43 5.10 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 79 Y 9.10 4.62 0.00 3.06 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 80 D 8.14 5.23 0.00 2.44 2.42 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 81 F 7.83 4.97 0.00 2.92 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 82 S 8.44 4.75 0.00 3.92 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 83 D 9.27 4.98 0.00 3.04 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 84 V 8.61 4.85 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 0.86 0.00 0.00 0.95 0.00 0.00 85 W 9.20 4.09 0.00 3.08 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 K 8.49 4.53 0.00 1.76 1.77 0.00 1.75 0.00 0.00 1.79 0.00 0.00 3.17 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.38 1.43 7.81 87 E 6.84 4.22 0.00 1.86 1.72 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 1.47 1.87 0.00 88 V 8.07 3.12 1.90 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 0.69 0.00 0.00 0.81 0.00 0.00 89 P 0.00 4.65 0.00 2.33 2.02 0.00 3.44 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.50 0.00 90 E 8.58 4.26 0.00 2.16 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 0.00 2.42 2.35 0.00 91 P 0.00 4.43 0.00 2.09 2.10 0.00 3.77 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 2.06 2.37 0.00 92 G 7.86 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 93 T 7.50 4.88 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 1.15 0.00 0.00 94 Y 8.87 4.83 0.00 1.61 2.76 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 95 E 9.35 5.45 0.00 2.10 1.98 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 2.29 2.27 0.00 96 V 9.18 4.88 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 0.88 0.00 0.00 0.39 0.00 0.00 97 K 9.01 5.01 0.00 2.05 1.93 0.00 1.60 0.00 0.00 1.57 0.00 0.00 2.79 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.56 7.81 98 V 8.66 5.01 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 1.18 0.00 0.00 0.87 0.00 0.00 99 T 9.12 5.20 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 1.26 0.00 0.00 100 F 9.29 4.95 0.00 2.90 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 0.00 101 K 8.47 4.02 0.00 1.61 1.70 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.77 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.30 1.32 7.81 102 G 6.09 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.67 4.78 0.00 1.62 1.78 0.00 3.22 0.00 0.00 3.14 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 104 A 8.34 4.79 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 0.00 105 E 8.52 3.91 0.00 1.86 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 2.25 2.29 0.00 106 N 8.79 4.25 0.00 2.85 2.85 0.00 0.00 6.82 7.85 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 0.00 107 L 7.47 4.76 0.00 1.65 1.54 0.91 0.78 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 0.00 108 K 8.78 3.91 0.00 1.76 1.79 0.00 1.80 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.41 7.81 109 Q 8.58 3.98 0.00 2.03 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.92 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 110 V 8.48 4.30 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 0.98 0.00 0.00 1.09 0.00 0.00 111 Q 8.70 5.20 0.00 2.20 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.56 0.00 0.00 0.00 0.00 0.00 2.26 2.39 0.00 112 A 8.98 4.92 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 0.00 113 V 8.33 5.07 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 0.79 0.00 0.00 0.98 0.00 0.00 114 Q 8.84 4.52 0.00 2.23 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.97 0.00 0.00 0.00 0.00 0.00 2.35 2.57 0.00 115 Q 8.96 4.95 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.43 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 116 F 9.09 5.06 0.00 3.12 3.18 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 0.00 117 E 8.97 5.08 0.00 1.96 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 2.28 2.34 0.00 118 V 9.17 4.35 2.37 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 1.05 0.00 0.00 0.87 0.00 0.00 119 K 9.30 4.24 0.00 1.74 1.67 0.00 1.81 0.00 0.00 1.76 0.00 0.00 3.14 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.38 7.81 * Residues marked with a * may have inaccurate shift predictions.