NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *3 H 4.5672 8.4444 117.3691 54.3249 29.8509 173.6754 *5 K 4.5964 8.7139 119.6609 58.0860 33.6291 176.8554 6 H 4.0888 7.8797 115.3759 59.0707 28.4672 177.8153 7 T 3.9318 7.7503 117.1967 66.5202 68.1444 176.6321 8 E 3.9240 8.0270 120.0881 59.2244 29.4031 179.1244 9 L 3.9355 8.0821 119.2347 57.8635 41.6618 179.6072 10 R 3.8682 7.8384 117.3555 59.2645 30.0231 178.9070 11 A 3.9117 8.1380 120.1891 55.2925 18.5681 179.3135 12 A 4.0517 8.1296 120.8026 54.6985 18.3294 180.1380 13 V 3.5890 7.5769 116.2786 65.8846 31.7811 178.2358 14 L 3.8135 8.1417 119.3319 57.8978 41.6923 179.3644 15 D 4.7856 8.4543 119.6638 55.4296 39.0571 178.1186 16 A 4.1006 7.3031 120.6898 54.3322 18.6766 178.6770 17 L 4.2779 7.5563 115.3454 56.0212 42.4018 178.0080 18 E 4.1202 7.5421 117.9688 57.0799 29.5647 178.1651 19 K 4.0123 7.4130 120.2760 59.2621 32.3159 177.6876 *20 H 4.2276 7.8936 117.7378 55.1209 28.5139 178.8462 21 D 4.8760 8.6144 126.8037 52.4433 37.2460 171.8447 22 T 4.6814 7.6096 113.5186 60.3052 71.3947 175.1138 23 G 4.0999 8.5674 108.5162 45.9013 0.0000 173.6063 24 A 4.6649 7.9804 120.5487 50.7841 20.7071 177.9926 25 T 4.1501 8.2331 118.0801 62.3042 70.0105 173.9251 26 F 4.9131 8.5354 125.8682 56.1912 40.5548 175.3008 27 F 4.7993 9.4861 122.9871 55.9210 41.5203 174.8851 28 D 5.0659 9.2002 124.0927 51.0190 39.5243 174.5120 29 G 4.1495 8.2919 108.1514 42.6097 0.0000 171.6310 30 R 3.6664 7.8455 121.9955 54.5696 29.6124 174.6008 31 P 3.7280 0.0000 0.0000 62.6375 31.0065 174.4834 32 A 4.0232 7.1661 123.1504 52.0932 19.8522 178.0866 33 V 4.5016 7.1486 113.2315 58.0638 34.7116 177.6049 34 F 4.5283 8.5390 118.3296 56.0154 41.1740 174.8551 35 D 4.6298 8.5471 125.7986 53.3777 41.2562 177.4675 36 E 4.0385 9.0761 124.0114 59.5458 29.6687 178.8161 37 A 4.1155 7.8965 119.1163 53.6260 18.7954 177.7123 38 D 4.5456 8.8504 115.7870 55.3163 41.6233 177.7190 39 F 4.3420 6.6575 116.7107 57.6851 39.6081 173.1954 40 P 4.7619 0.0000 0.0000 62.3655 32.6759 174.8191 41 A 5.1994 8.8334 124.4634 50.1380 22.5861 175.2059 42 V 4.9753 8.7042 119.6767 61.0499 35.0091 174.2250 43 A 5.5731 9.3022 128.8982 50.2248 22.1859 174.7195 44 V 5.3645 9.0438 121.7784 60.5060 34.3175 174.1664 45 Y 4.9059 8.0478 124.4087 56.1805 41.7725 173.0648 46 L 5.5200 8.6753 118.7181 53.3266 44.8353 176.3524 47 T 4.6284 8.4568 110.8741 60.5225 72.7795 173.9641 48 G 4.0737 9.0378 108.9205 46.4420 0.0000 173.3519 49 A 4.8171 8.2869 121.8069 51.8637 18.9564 177.7700 50 E 4.5416 9.6922 120.7160 54.6942 33.5593 174.3467 51 Y 2.9695 7.0028 123.6857 57.5007 38.6855 175.4865 52 T 4.0013 7.9719 114.3677 60.9145 70.4283 175.0156 53 G 4.2948 6.0486 110.3732 44.6839 0.0000 175.4489 54 E 3.9316 7.1887 122.1840 58.8613 29.9240 177.6079 55 E 4.0210 8.2362 117.9417 59.1432 29.8190 176.4638 56 L 4.5113 7.3757 116.7647 53.8207 44.3763 175.2979 57 D 5.0047 8.4352 113.0310 53.5694 41.0240 175.9260 58 S 4.8682 8.7173 118.7920 57.2248 66.2451 175.4088 59 D 5.3425 8.6087 120.0747 53.9450 40.3415 176.3607 60 T 5.0977 7.9373 110.2925 60.5721 72.3082 173.4827 61 W 5.1383 9.2896 122.8194 55.0579 33.5628 173.9553 62 Q 5.0799 8.8023 120.3345 55.1556 32.4024 173.2065 63 A 5.1979 9.2767 126.0675 51.1931 24.1646 174.1295 64 E 4.9580 9.2504 120.4837 54.5581 31.8470 174.4454 65 L 4.8055 9.2146 130.4169 54.6254 43.6381 174.9186 66 H 5.1382 9.1499 123.7375 54.2228 31.7722 174.3418 67 I 4.6080 8.2632 122.0945 60.1253 41.1256 173.6022 68 E 4.8492 9.2504 128.7668 54.1293 32.7952 174.5124 69 V 4.5094 8.0749 127.1848 61.7561 33.4529 174.3210 70 F 5.2256 9.5252 127.2885 55.7999 41.5081 174.7459 71 L 4.7486 8.6241 122.0069 51.7498 46.6996 174.3074 72 P 3.8990 0.0000 0.0000 62.1152 31.8764 177.7415 73 A 3.9821 8.5470 125.4574 56.1770 18.4055 180.1174 74 Q 4.0441 8.2342 115.2490 58.3075 28.4655 179.7498 75 V 3.5632 7.0147 112.3529 60.2372 32.1228 177.4610 76 P 4.4793 0.0000 0.0000 61.1831 32.4507 176.9196 77 A 4.0586 8.8238 122.5850 56.0921 18.1312 180.4328 78 S 4.2060 8.1079 112.5680 61.3959 62.6200 176.4884 79 E 4.0211 8.3732 122.1489 59.2227 29.6306 178.4400 80 L 4.3084 8.0221 118.5452 58.1693 41.6238 179.1990 81 D 4.7836 8.5908 118.2812 56.5148 41.0527 178.3558 82 A 4.2342 8.0565 121.7556 54.5389 18.2833 178.9612 83 W 4.0826 8.2036 126.9128 58.9074 30.4038 178.1653 *85 E 4.1883 8.2158 117.2978 55.7985 31.3082 180.8750 86 S 4.5509 8.0134 116.0621 59.3082 62.9932 177.5054 87 R 4.7471 8.6154 114.2721 56.0693 31.1517 179.3059 88 I 4.5949 7.4961 114.3239 63.7435 40.2036 176.9587 89 Y 4.1257 8.6443 117.8218 61.0685 38.0978 176.4445 90 P 4.4795 0.0000 0.0000 65.8726 31.6762 180.1682 91 V 3.7647 7.7639 117.7725 62.7427 30.4345 177.5915 *93 S 4.4110 8.2298 116.1019 58.2346 64.6041 174.2727 94 D 4.5916 7.8135 118.9023 52.2536 41.3602 179.3671 95 I 4.5958 7.6896 126.2344 56.7174 38.2493 174.2609 96 P 4.1935 0.0000 0.0000 65.8488 30.9466 178.2577 97 A 3.9897 7.9663 118.9185 54.4203 18.5002 178.6334 98 L 4.1905 7.7249 120.6904 58.4990 42.2970 179.3540 99 S 4.1831 8.1351 118.5589 63.4034 61.8869 177.8198 100 D 4.5265 7.9222 119.5477 56.5113 40.7398 177.9606 101 L 4.3737 7.7587 118.5539 54.7341 42.1913 175.8530 102 I 4.7124 6.9760 111.1290 59.2044 40.2071 174.7569 103 T 4.6313 8.4255 109.4173 62.4535 70.8039 173.9227 104 S 4.5661 7.5412 116.0891 57.7427 66.9269 174.3312 *106 V 4.2931 8.1103 117.7153 61.4937 32.6359 175.1174 107 A 4.0376 8.7224 123.6819 52.6544 18.7052 175.6187 108 S 4.4222 8.5908 112.0127 58.9457 64.1646 174.6425 109 G 4.1847 8.0528 103.8953 45.5994 0.0000 170.2354 110 Y 4.9611 8.4284 120.3678 56.6379 40.9879 172.8878 111 D 4.9568 8.7317 127.0533 52.5442 44.5158 175.5820 112 Y 4.5300 8.6243 120.3568 57.0474 38.3710 175.5762 113 R 4.5278 8.3758 124.4388 55.6961 32.6733 175.2626 114 R 4.1497 7.9207 117.5915 55.3488 33.1893 174.7000 115 D 3.6380 6.6952 124.4463 53.8475 39.7518 176.7361 116 D 4.1514 8.4293 128.4301 57.8180 41.2696 178.4393 117 D 4.5430 8.2068 115.9544 55.9286 39.8063 178.9738 118 A 4.4830 8.2448 117.1078 51.7750 22.0761 176.8149 119 G 3.7313 8.4277 104.5241 46.6407 0.0000 175.3868 120 L 4.2855 9.4952 122.8460 55.2501 41.5005 178.9169 121 W 5.3183 7.1398 113.6969 54.7894 32.6707 174.2752 122 S 4.9561 9.4067 114.2084 56.8779 65.2456 172.8260 123 S 5.6327 9.5593 119.9715 55.3665 67.2805 172.7152 124 A 4.4196 8.0691 121.0244 50.1430 21.4203 174.5594 125 D 4.5519 8.9672 123.8293 53.2357 43.0981 174.8869 126 L 4.9065 8.6964 129.7940 53.6137 43.9025 175.1521 127 T 5.0684 8.4125 116.2159 60.0679 72.2670 172.5662 128 Y 5.0962 8.6877 119.9638 56.3265 42.3168 174.3981 129 V 4.7664 8.5957 123.4909 61.7905 32.9120 175.1260 130 I 5.1936 8.9361 120.4913 59.4180 41.5120 174.0921 131 T 5.3535 8.2964 112.4257 60.5259 72.1894 172.2131 132 Y 5.0151 7.8168 119.7527 57.1029 42.1081 174.2043 133 E 4.4905 8.9800 118.1463 56.6173 30.1095 176.2901 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 H 8.44 4.57 0.00 2.95 2.03 0.00 7.20 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *5 K 8.71 4.60 0.00 1.80 1.76 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.59 1.23 7.81 6 H 7.88 4.09 0.00 3.13 3.25 0.00 5.69 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 T 7.75 3.93 4.21 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 1.19 0.00 0.00 8 E 8.03 3.92 0.00 2.10 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 2.36 2.36 0.00 9 L 8.08 3.94 0.00 1.67 1.56 0.33 1.00 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 10 R 7.84 3.87 0.00 1.88 2.00 0.00 3.40 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 11 A 8.14 3.91 1.36 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 0.00 0.00 0.00 12 A 8.13 4.05 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 13 V 7.58 3.59 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 1.02 0.00 0.00 0.92 0.00 0.00 14 L 8.14 3.81 0.00 1.77 1.54 0.95 1.03 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 15 D 8.45 4.79 0.00 2.78 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 16 A 7.30 4.10 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.56 4.28 0.00 1.58 1.91 1.10 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 18 E 7.54 4.12 0.00 1.96 1.80 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 1.58 1.47 0.00 19 K 7.41 4.01 0.00 1.84 1.89 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.21 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.64 1.60 7.81 *20 H 7.89 4.23 0.00 2.93 2.88 0.00 7.21 0.00 0.00 0.00 0.00 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 D 8.61 4.88 0.00 2.69 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 22 T 7.61 4.68 4.50 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 0.00 0.00 0.00 1.24 0.00 0.00 23 G 8.57 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 7.98 4.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.23 4.15 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 0.77 0.00 0.00 26 F 8.54 4.91 0.00 2.87 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 27 F 9.49 4.80 0.00 3.01 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 28 D 9.20 5.07 0.00 2.71 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 29 G 8.29 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 7.85 3.67 0.00 0.67 1.25 0.00 2.55 0.00 0.00 3.04 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.43 0.00 31 P 0.00 3.73 0.00 0.49 0.49 0.00 3.46 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.63 0.00 32 A 7.17 4.02 1.06 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 33 V 7.15 4.50 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 0.81 0.00 0.00 0.93 0.00 0.00 34 F 8.54 4.53 0.00 2.74 2.33 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 35 D 8.55 4.63 0.00 2.72 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 36 E 9.08 4.04 0.00 2.11 2.24 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 2.61 2.45 0.00 37 A 7.90 4.12 1.27 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 38 D 8.85 4.55 0.00 2.55 2.75 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 39 F 6.66 4.34 0.00 3.06 2.90 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 40 P 0.00 4.76 0.00 0.84 1.35 0.00 3.79 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.00 0.00 41 A 8.83 5.20 1.59 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 0.00 0.00 42 V 8.70 4.98 1.59 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 1.14 0.00 0.00 0.80 0.00 0.00 43 A 9.30 5.57 1.69 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 44 V 9.04 5.36 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 1.08 0.00 0.00 1.06 0.00 0.00 45 Y 8.05 4.91 0.00 3.09 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 46 L 8.68 5.52 0.00 1.51 1.59 0.68 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 47 T 8.46 4.63 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 1.39 0.00 0.00 48 G 9.04 4.07 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 0.00 0.00 0.00 49 A 8.29 4.82 1.57 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 0.00 0.00 0.00 0.00 0.00 0.00 50 E 9.69 4.54 0.00 1.80 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 2.37 2.12 0.00 51 Y 7.00 2.97 0.00 1.69 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 52 T 7.97 4.00 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 0.98 0.00 0.00 53 G 6.05 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 0.00 0.00 0.00 0.00 54 E 7.19 3.93 0.00 1.97 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 2.32 2.31 0.00 55 E 8.24 4.02 0.00 1.89 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 2.26 2.32 0.00 56 L 7.38 4.51 0.00 1.64 1.61 0.89 0.90 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 57 D 8.44 5.00 0.00 2.59 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 58 S 8.72 4.87 0.00 4.04 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 0.00 59 D 8.61 5.34 0.00 2.71 2.57 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 0.00 0.00 0.00 0.00 60 T 7.94 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 1.26 0.00 0.00 61 W 9.29 5.14 0.00 2.41 2.79 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 62 Q 8.80 5.08 0.00 2.07 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.55 0.00 0.00 0.00 0.00 0.00 2.31 2.55 0.00 63 A 9.28 5.20 1.49 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 0.00 0.00 64 E 9.25 4.96 0.00 2.10 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 2.11 2.22 0.00 65 L 9.21 4.81 0.00 1.76 1.71 0.87 0.73 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 66 H 9.15 5.14 0.00 1.45 2.18 0.00 5.63 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 I 8.26 4.61 1.87 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.70 0.99 0.00 0.00 68 E 9.25 4.85 0.00 2.18 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 1.47 1.91 0.00 69 V 8.07 4.51 1.97 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 0.54 0.00 0.00 0.97 0.00 0.00 70 F 9.53 5.23 0.00 2.77 2.50 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 0.00 0.00 0.00 0.00 71 L 8.62 4.75 0.00 1.44 1.34 0.96 0.55 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 72 P 0.00 3.90 0.00 1.98 1.75 0.00 3.34 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.50 0.00 73 A 8.55 3.98 1.23 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 0.00 0.00 74 Q 8.23 4.04 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.65 0.00 0.00 0.00 0.00 0.00 2.28 1.93 0.00 75 V 7.01 3.56 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 0.88 0.00 0.00 0.93 0.00 0.00 76 P 0.00 4.48 0.00 2.22 2.20 0.00 3.87 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.97 0.00 77 A 8.82 4.06 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 78 S 8.11 4.21 0.00 3.90 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 79 E 8.37 4.02 0.00 2.02 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 0.00 2.51 2.47 0.00 80 L 8.02 4.31 0.00 2.14 1.86 1.07 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 81 D 8.59 4.78 0.00 2.79 2.82 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 0.00 0.00 0.00 82 A 8.06 4.23 1.51 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 83 W 8.20 4.08 0.00 3.60 3.17 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 *85 E 8.22 4.19 0.00 2.05 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 2.13 1.88 0.00 86 S 8.01 4.55 0.00 3.64 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 87 R 8.62 4.75 0.00 1.72 1.79 0.00 3.17 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.42 0.00 88 I 7.50 4.59 2.11 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.59 0.96 0.00 0.00 89 Y 8.64 4.13 0.00 2.95 3.15 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 0.00 0.00 0.00 0.00 90 P 0.00 4.48 0.00 2.09 2.18 0.00 3.91 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.16 0.00 91 V 7.76 3.76 2.25 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 1.00 0.00 0.00 0.99 0.00 0.00 *93 S 8.23 4.41 0.00 4.08 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 94 D 7.81 4.59 0.00 2.69 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.69 4.60 1.80 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 1.44 0.57 0.89 0.00 0.00 96 P 0.00 4.19 0.00 2.24 2.31 0.00 3.68 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.03 0.00 97 A 7.97 3.99 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 98 L 7.72 4.19 0.00 1.69 1.77 0.83 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 99 S 8.14 4.18 0.00 3.78 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 0.00 100 D 7.92 4.53 0.00 2.66 2.75 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 0.00 101 L 7.76 4.37 0.00 1.71 1.68 0.87 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 102 I 6.98 4.71 2.18 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 1.49 0.69 0.95 0.00 0.00 103 T 8.43 4.63 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 1.27 0.00 0.00 104 S 7.54 4.57 0.00 4.09 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 *106 V 8.11 4.29 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 0.88 0.00 0.00 0.98 0.00 0.00 107 A 8.72 4.04 1.18 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 0.00 108 S 8.59 4.42 0.00 3.83 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 0.00 109 G 8.05 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 0.00 110 Y 8.43 4.96 0.00 3.01 2.78 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 0.00 0.00 0.00 111 D 8.73 4.96 0.00 2.50 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 0.00 112 Y 8.62 4.53 0.00 2.85 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 0.00 113 R 8.38 4.53 0.00 2.10 2.09 0.00 3.35 0.00 0.00 3.45 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.59 0.00 114 R 7.92 4.15 0.00 1.64 1.61 0.00 3.10 0.00 0.00 3.04 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.32 0.00 115 D 6.70 3.64 0.00 1.58 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 0.00 0.00 0.00 116 D 8.43 4.15 0.00 2.66 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 0.00 117 D 8.21 4.54 0.00 2.69 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 0.00 118 A 8.24 4.48 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 0.00 119 G 8.43 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 0.00 120 L 9.50 4.29 0.00 1.69 1.59 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 121 W 7.14 5.32 0.00 3.46 3.24 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 0.00 122 S 9.41 4.96 0.00 3.81 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 0.00 123 S 9.56 5.63 0.00 3.37 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 0.00 124 A 8.07 4.42 0.94 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 0.00 0.00 125 D 8.97 4.55 0.00 2.80 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 L 8.70 4.91 0.00 1.72 1.58 0.73 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 127 T 8.41 5.07 4.04 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 0.88 0.00 0.00 128 Y 8.69 5.10 0.00 2.89 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 0.00 129 V 8.60 4.77 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 0.82 0.00 0.00 0.96 0.00 0.00 130 I 8.94 5.19 2.06 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.05 0.95 0.00 0.00 131 T 8.30 5.35 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 1.24 0.00 0.00 132 Y 7.82 5.02 0.00 3.18 3.13 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 0.00 133 E 8.98 4.49 0.00 2.03 2.05 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 2.38 2.34 0.00 * Residues marked with a * may have inaccurate shift predictions.