NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.3519 8.1733 120.0849 56.0119 34.9582 175.1531 4 I 4.3481 7.3637 119.9587 59.0172 38.9667 173.3106 5 R 5.5464 9.3132 128.1716 54.0509 33.0557 174.7274 6 I 5.5672 7.8926 117.9384 58.2269 40.5493 174.7270 7 K 4.4070 8.5572 126.6882 55.9959 33.8542 176.4582 8 L 5.4093 8.3460 122.6935 52.2417 44.3958 176.2691 9 R 4.5624 9.4861 123.3968 53.8954 33.3952 175.8521 10 G 3.8275 7.1344 105.4209 46.0468 0.0000 172.4794 11 F 5.1875 8.2584 116.9267 59.2496 41.8240 174.6234 12 D 4.6013 8.1349 120.2280 54.2023 41.5384 176.1164 13 H 4.5862 8.6657 121.5889 56.5599 29.2754 176.6901 14 K 4.0696 7.6200 123.0579 59.1038 32.3927 178.2286 15 T 3.9998 7.6300 109.4438 64.3811 69.1571 176.2560 16 L 4.1169 7.8062 121.0480 56.3467 41.9764 177.2784 17 D 4.6014 7.8266 116.6330 56.7051 41.9273 177.7794 18 A 3.9897 7.7037 122.7026 55.1269 18.4887 178.9455 19 S 4.4266 8.1281 107.3472 59.1976 63.3973 174.9695 20 A 4.5825 7.4948 121.6609 52.3336 19.5910 177.1113 21 Q 4.3791 7.6668 116.5115 56.3368 30.3707 176.8965 22 K 4.1309 7.7634 120.8037 59.4442 32.3411 178.6958 23 I 4.2360 7.6039 118.7208 61.5466 36.8207 176.8586 24 V 4.3889 7.6572 118.3538 61.7466 33.9792 175.7846 25 E 4.5066 8.1320 117.9174 56.4865 30.3122 176.8332 26 A 4.4831 7.8897 117.8954 52.1865 19.6565 177.3573 27 A 5.0562 7.5672 120.7149 52.3618 20.3477 179.2280 28 R 3.9167 7.9094 115.3388 58.7908 30.4819 177.5136 29 R 4.1658 7.5104 115.5115 57.2830 30.4867 176.6288 30 S 4.7849 7.8327 111.9329 58.6360 64.5741 172.8782 31 G 4.0762 8.4390 110.6842 44.4529 0.0000 178.0302 32 A 4.1723 9.0166 123.1086 52.0769 18.9494 177.4086 33 Q 4.2514 8.5778 117.9821 56.0193 30.6696 175.8517 34 V 4.6990 8.0205 119.9978 61.0914 34.0818 174.3577 35 S 4.0555 8.7493 124.3570 58.6563 63.0734 174.6882 36 G 3.8568 8.7890 113.7621 43.8154 0.0000 169.5206 37 P 4.3549 0.0000 0.0000 63.1228 31.7538 176.0662 38 I 4.4412 8.7654 119.9898 58.6144 39.8556 173.1370 39 P 5.0090 0.0000 0.0000 61.4139 31.7364 174.9957 40 L 4.6847 8.3365 125.3726 53.1764 42.5210 174.6920 41 P 4.2206 0.0000 0.0000 63.9717 31.3599 175.7705 42 T 4.3113 8.3141 118.0165 63.3103 69.6046 174.7342 43 R 4.3353 8.5948 125.9416 55.0328 30.6679 176.3076 44 V 4.0611 8.1522 123.9615 62.4415 32.8100 176.5166 45 R 4.6278 7.5881 122.2150 55.0888 31.4390 173.6176 46 R 4.3971 7.8275 118.4262 54.1871 31.2597 176.6222 47 F 5.0408 7.7004 118.6861 55.2714 41.0828 173.9628 48 T 4.8952 8.7103 118.3966 61.8704 70.5130 173.8585 49 V 4.4631 8.4853 125.9360 60.6605 34.8582 174.7960 50 I 4.0174 8.4998 128.6317 61.4622 37.3629 175.7275 51 R 4.0753 9.0583 125.6419 59.2057 30.1845 177.8736 52 G 3.8329 8.0269 107.0833 44.8705 0.0000 172.4227 53 P 4.4047 0.0000 0.0000 63.9983 32.8348 176.2203 54 F 4.7432 8.0705 118.4169 58.1411 40.3498 176.8040 55 K 4.3951 8.5537 116.7650 54.9397 33.5978 175.3775 56 H 4.9312 7.7805 119.3714 53.4949 29.8295 174.3844 57 K 4.1304 8.1224 120.4734 58.5106 33.1722 177.9923 58 D 4.7918 7.8658 121.7668 56.1043 41.3784 178.7066 59 S 3.7901 7.3269 112.0357 59.9546 60.8650 173.6267 60 R 4.5611 7.6039 125.3624 55.4209 32.3475 175.4923 61 E 4.6364 8.6339 117.6330 54.9560 32.8787 174.6738 62 H 4.9509 8.3839 120.7684 53.7735 31.9332 172.0987 63 F 5.2065 8.4992 117.6507 55.7901 43.1914 173.2855 64 E 4.4629 8.7321 117.2224 54.6285 31.9277 175.8594 65 L 4.3014 7.7346 121.3410 53.7019 44.1773 174.5504 66 R 4.3595 8.3534 124.6082 55.3399 30.6245 176.7587 67 T 4.7389 8.3301 123.0464 62.1011 68.8546 173.7446 68 H 4.6161 8.6858 123.9033 54.8471 29.0385 175.2137 69 N 4.8434 8.7158 121.1604 53.4009 39.8231 175.3453 70 R 4.5723 8.4494 120.7447 55.7188 33.8939 173.4477 71 L 4.7815 8.8718 129.0867 53.7054 45.1429 175.2725 72 V 4.6925 8.0748 122.2116 61.6683 35.5427 172.8818 73 D 5.1893 8.6090 126.4222 52.3913 44.0489 174.8002 74 I 4.6254 7.9759 116.1907 59.5502 39.1039 176.8033 75 I 3.9687 8.6469 120.7623 62.9657 38.4234 176.1118 76 N 4.9383 7.8969 120.0708 50.7739 41.5840 173.1694 77 P 4.5702 0.0000 0.0000 61.8321 29.6963 175.1360 78 N 4.5882 7.8420 123.3802 54.1344 39.6236 176.0447 79 R 4.2467 8.2383 116.7772 56.9571 30.3716 178.6102 80 K 4.1235 7.4918 120.2050 58.9568 32.2465 178.1700 81 T 4.1138 7.7591 110.8262 64.4253 68.4624 175.9710 82 I 3.6948 7.3453 118.8784 63.3317 36.7915 177.1190 83 E 4.2155 8.0097 119.0356 57.6278 30.1086 177.5376 84 Q 4.1240 7.8570 117.9759 58.4708 28.8630 177.9962 85 L 4.2200 8.1032 119.7263 57.3588 42.0737 178.7709 86 M 4.2548 7.5434 116.0843 57.6681 32.1724 176.5359 87 T 4.5137 7.3739 105.0652 61.6258 70.8983 173.6264 88 L 4.3080 7.2556 122.8450 55.1436 42.1695 177.1690 89 D 4.4784 7.9759 118.6254 54.2127 40.5230 176.8261 90 L 4.7035 8.0253 128.2039 52.5410 41.9814 174.5921 91 P 4.7008 0.0000 0.0000 61.4780 32.7156 176.1360 92 T 4.1374 8.6426 118.9923 64.4819 67.7160 175.8912 93 G 4.2151 7.5768 109.8887 44.2851 0.0000 171.8784 94 V 4.5424 7.7076 117.3337 60.6234 35.5114 173.7683 95 E 4.9384 8.8677 123.9538 54.4453 33.4210 174.7153 96 I 5.5886 7.9638 116.6913 60.2540 40.2314 174.0701 97 E 4.6694 8.7569 126.1940 55.1254 32.3409 175.1955 98 I 5.0575 8.0074 121.2280 60.3406 40.9605 174.5275 99 K 4.8927 9.3798 127.3102 55.4896 36.7272 174.8659 100 T 5.2249 8.2351 111.4325 62.0031 71.5056 175.0629 *101 V 3.9074 8.3628 121.2876 61.0695 32.4044 172.8402 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 K 8.17 4.35 0.00 1.73 1.92 0.00 1.62 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.67 7.81 4 I 7.36 4.35 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 1.11 1.32 0.91 0.00 0.00 5 R 9.31 5.55 0.00 1.84 1.77 0.00 3.08 0.00 0.00 3.31 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.51 0.00 6 I 7.89 5.57 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 1.24 1.32 0.91 0.00 0.00 7 K 8.56 4.41 0.00 1.77 1.75 0.00 1.61 0.00 0.00 1.81 0.00 0.00 2.84 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.52 1.40 7.81 8 L 8.35 5.41 0.00 1.79 1.56 1.04 0.81 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 9 R 9.49 4.56 0.00 1.68 1.77 0.00 3.18 0.00 0.00 3.32 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.58 0.00 10 G 7.13 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 11 F 8.26 5.19 0.00 3.03 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 12 D 8.13 4.60 0.00 2.78 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 13 H 8.67 4.59 0.00 3.16 3.03 0.00 5.57 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 7.62 4.07 0.00 1.67 1.75 0.00 1.67 0.00 0.00 1.84 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.43 7.81 15 T 7.63 4.00 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 1.26 0.00 0.00 16 L 7.81 4.12 0.00 1.78 1.88 0.97 1.30 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 17 D 7.83 4.60 0.00 3.10 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 18 A 7.70 3.99 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 19 S 8.13 4.43 0.00 4.00 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 20 A 7.49 4.58 1.37 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 21 Q 7.67 4.38 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 7.01 0.00 0.00 0.00 0.00 0.00 2.25 2.38 0.00 22 K 7.76 4.13 0.00 1.94 1.78 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.62 7.81 23 I 7.60 4.24 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 1.30 0.77 0.91 0.00 0.00 24 V 7.66 4.39 2.23 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 0.84 0.00 0.00 0.98 0.00 0.00 25 E 8.13 4.51 0.00 1.98 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 2.24 2.42 0.00 26 A 7.89 4.48 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 27 A 7.57 5.06 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 28 R 7.91 3.92 0.00 1.82 2.00 0.00 3.25 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.81 0.00 29 R 7.51 4.17 0.00 1.94 2.01 0.00 3.21 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 30 S 7.83 4.78 0.00 4.14 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 31 G 8.44 4.08 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 0.00 0.00 0.00 32 A 9.02 4.17 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 33 Q 8.58 4.25 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.80 0.00 0.00 0.00 0.00 0.00 2.45 2.36 0.00 34 V 8.02 4.70 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 0.97 0.00 0.00 35 S 8.75 4.06 0.00 3.94 3.93 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 36 G 8.79 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 0.00 0.00 0.00 37 P 0.00 4.35 0.00 1.95 2.06 0.00 3.66 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 2.03 2.23 0.00 38 I 8.77 4.44 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 1.47 0.65 0.95 0.00 0.00 39 P 0.00 5.01 0.00 2.10 2.14 0.00 3.75 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.95 0.00 40 L 8.34 4.68 0.00 1.67 1.70 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.22 0.00 2.19 2.13 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.02 0.00 42 T 8.31 4.31 4.20 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 1.02 0.00 0.00 43 R 8.59 4.34 0.00 1.77 1.90 0.00 3.27 0.00 0.00 3.09 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.71 0.00 44 V 8.15 4.06 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 0.67 0.00 0.00 0.88 0.00 0.00 45 R 7.59 4.63 0.00 1.98 1.59 0.00 3.42 0.00 0.00 3.17 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.81 0.00 46 R 7.83 4.40 0.00 1.50 1.63 0.00 3.07 0.00 0.00 2.25 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.25 0.00 47 F 7.70 5.04 0.00 3.10 3.20 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 48 T 8.71 4.90 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 1.19 0.00 0.00 49 V 8.49 4.46 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 1.04 0.00 0.00 1.00 0.00 0.00 50 I 8.50 4.02 1.88 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.91 0.92 0.00 0.00 51 R 9.06 4.08 0.00 1.80 2.03 0.00 3.32 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 52 G 8.03 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 53 P 0.00 4.40 0.00 2.27 2.24 0.00 3.83 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.00 0.00 54 F 8.07 4.74 0.00 2.99 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 55 K 8.55 4.40 0.00 1.19 1.34 0.00 0.61 0.00 0.00 1.19 0.00 0.00 2.54 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.84 0.40 7.81 56 H 7.78 4.93 0.00 3.15 3.15 0.00 5.63 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.12 4.13 0.00 1.72 1.86 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.78 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.38 7.81 58 D 7.87 4.79 0.00 2.71 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 7.33 3.79 0.00 3.98 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 60 R 7.60 4.56 0.00 2.11 2.07 0.00 2.94 0.00 0.00 3.13 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.50 0.00 61 E 8.63 4.64 0.00 1.91 1.61 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 0.00 1.54 2.05 0.00 62 H 8.38 4.95 0.00 3.14 3.08 0.00 5.54 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 F 8.50 5.21 0.00 3.15 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 64 E 8.73 4.46 0.00 1.80 1.81 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 2.15 2.23 0.00 65 L 7.73 4.30 0.00 1.72 1.42 0.40 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 66 R 8.35 4.36 0.00 1.76 1.75 0.00 3.29 0.00 0.00 3.21 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.75 0.00 67 T 8.33 4.74 4.45 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 1.22 0.00 0.00 68 H 8.69 4.62 0.00 3.07 3.32 0.00 5.89 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.72 4.84 0.00 2.62 2.75 0.00 0.00 6.90 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 R 8.45 4.57 0.00 1.82 1.74 0.00 3.07 0.00 0.00 3.10 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.74 0.00 71 L 8.87 4.78 0.00 1.79 1.48 0.96 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 72 V 8.07 4.69 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 0.87 0.00 0.00 0.93 0.00 0.00 73 D 8.61 5.19 0.00 2.68 2.51 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 74 I 7.98 4.63 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 1.28 1.15 0.91 0.00 0.00 75 I 8.65 3.97 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 1.35 0.59 0.92 0.00 0.00 76 N 7.90 4.94 0.00 2.62 2.68 0.00 0.00 6.99 7.69 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 77 P 0.00 4.57 0.00 2.22 2.07 0.00 3.82 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 1.98 1.98 0.00 78 N 7.84 4.59 0.00 2.77 2.83 0.00 0.00 6.97 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 R 8.24 4.25 0.00 1.79 1.96 0.00 3.36 0.00 0.00 3.15 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.55 0.00 80 K 7.49 4.12 0.00 1.86 1.81 0.00 1.63 0.00 0.00 1.87 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.76 7.81 81 T 7.76 4.11 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 1.25 0.00 0.00 82 I 7.35 3.69 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 1.67 1.09 0.91 0.00 0.00 83 E 8.01 4.22 0.00 1.94 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 0.00 2.24 2.32 0.00 84 Q 7.86 4.12 0.00 2.33 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.59 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 85 L 8.10 4.22 0.00 1.67 1.69 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 86 M 7.54 4.25 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.59 0.00 87 T 7.37 4.51 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 88 L 7.26 4.31 0.00 1.75 1.78 0.92 1.26 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 89 D 7.98 4.48 0.00 2.70 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.03 4.70 0.00 1.52 1.52 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 91 P 0.00 4.70 0.00 2.35 2.04 0.00 3.81 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.92 0.00 92 T 8.64 4.14 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 93 G 7.58 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 94 V 7.71 4.54 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 0.84 0.00 0.00 0.92 0.00 0.00 95 E 8.87 4.94 0.00 2.01 1.65 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 2.13 2.22 0.00 96 I 7.96 5.59 1.86 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 1.34 1.29 0.97 0.00 0.00 97 E 8.76 4.67 0.00 1.90 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.25 0.00 98 I 8.01 5.06 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.40 0.95 0.00 0.00 99 K 9.38 4.89 0.00 1.57 1.68 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.49 7.81 100 T 8.24 5.22 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 *101 V 8.36 3.91 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 0.68 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.