NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 M 3.5437 8.4045 120.2600 54.8065 33.4727 175.1434 6 R 4.2025 8.7878 122.2231 53.0073 30.9564 168.5055 7 V 3.6109 8.3166 123.1817 63.9790 32.6031 175.7095 8 G 3.9953 9.1220 115.7938 44.9769 0.0000 173.4767 9 E 4.1991 8.5998 121.9763 56.5266 30.6799 175.9392 10 R 5.3913 8.6739 124.2415 54.4697 34.0679 174.3665 11 F 5.0645 9.3859 124.5333 56.7500 42.7203 173.5777 12 T 4.8650 7.6886 121.3131 61.8814 71.4278 173.0611 13 H 4.5429 8.8090 124.1817 54.5432 33.0810 171.6987 14 D 5.4413 8.4201 124.7710 52.7947 43.9454 176.0146 15 F 4.5465 8.5155 123.8514 57.1985 42.6530 173.3930 16 V 3.8067 7.8919 127.6021 62.6188 32.1577 175.4747 17 V 3.4289 8.2183 129.1535 61.7613 32.6259 174.0360 18 P 4.7177 0.0000 0.0000 60.5578 32.7621 174.9123 19 P 4.2172 0.0000 0.0000 65.8770 30.9622 176.6960 20 H 4.0975 7.8227 112.0773 55.3402 28.8067 175.2532 21 K 4.0227 7.7742 119.0793 56.5483 32.4110 176.5039 22 T 5.4103 7.7257 109.6449 59.6550 70.6657 175.4906 23 V 3.3532 8.6650 121.0928 66.2266 31.1382 177.9395 24 R 4.2139 7.9805 112.6378 58.0181 29.5878 176.6131 25 H 4.6654 8.1518 115.3235 57.0445 29.5802 176.4041 26 L 3.7871 7.9696 121.2558 57.3889 42.0885 176.5131 27 Y 5.1658 7.4148 116.2860 53.7876 38.3470 173.7807 28 P 4.4590 0.0000 0.0000 65.2470 32.1594 177.6844 29 E 4.0372 8.3969 114.0011 57.4292 29.6583 175.8901 30 S 4.5032 8.2498 116.3240 56.1565 62.3278 172.4767 31 P 4.3308 0.0000 0.0000 65.6923 31.2490 178.0758 32 E 4.1173 8.0026 116.1972 58.2914 29.8648 177.4405 33 F 4.9512 8.4098 116.8582 58.0244 40.3234 177.6435 34 A 4.0937 7.9470 123.3092 55.3522 18.2946 178.5710 35 E 4.2889 8.5963 113.9083 59.1981 30.1244 176.8826 36 F 3.8737 8.2124 115.9540 55.1869 40.0739 173.8813 37 P 4.3665 0.0000 0.0000 63.2668 32.0815 177.3860 38 E 4.4748 8.5511 121.9489 55.9364 28.0741 176.3924 39 V 4.8064 7.2588 113.5824 58.7660 36.3649 176.0952 40 F 4.9369 9.4550 125.7177 59.3815 39.6821 174.9123 41 A 4.2189 8.9907 128.2444 51.8794 19.4380 178.0594 42 T 3.7934 8.9128 118.6406 67.1132 68.6155 177.2511 43 G 3.5965 7.7693 106.2737 47.2810 0.0000 175.7199 44 F 4.4162 7.5974 119.8600 60.7241 38.9697 177.1803 45 M 3.9219 7.5660 117.9522 58.4812 31.8638 178.3539 46 V 3.6215 8.1661 119.0195 65.9989 31.6817 178.3216 47 G 3.5688 7.8769 105.0392 47.6170 0.0000 175.5062 48 L 4.3381 8.5302 123.1617 58.1202 41.9684 178.9851 49 M 3.9883 8.4281 118.9946 58.4363 31.9367 178.1353 50 E 3.7424 8.1271 118.8081 59.3839 29.6845 179.2213 51 W 4.3935 8.7129 127.9846 60.7292 30.7164 177.6209 52 A 3.7494 7.8710 120.3045 55.5596 17.9234 179.4951 53 C 3.0608 7.6033 114.8636 62.3033 27.7752 176.4652 54 V 3.5649 8.0599 120.4823 66.0451 30.8589 178.3472 55 R 3.7979 7.8381 116.8076 58.8089 29.9113 178.5038 56 A 3.7991 7.1985 120.2830 54.6450 18.5897 178.8313 57 M 4.5087 7.9996 113.8366 56.4171 31.9097 178.1542 58 A 3.9582 7.5696 124.3597 55.0085 18.4787 177.2310 59 P 4.5044 0.0000 0.0000 63.5201 31.4550 176.0252 60 Y 4.5158 7.9554 115.6694 57.9401 38.8874 175.7937 61 L 4.4630 7.6068 120.1310 53.8700 42.9908 176.4233 62 E 4.3744 8.9204 121.9741 54.4183 30.5410 174.4498 63 P 4.3069 0.0000 0.0000 65.0092 31.4177 176.6711 64 G 3.9797 9.1860 110.0686 45.0961 0.0000 172.5028 65 E 5.0967 7.8713 118.7928 54.9457 31.6634 175.7026 66 G 4.3064 8.5239 107.6870 45.5331 0.0000 171.1401 67 S 5.2133 8.5019 112.4046 56.9209 66.2518 173.3665 68 L 4.7508 8.4432 120.5416 52.6813 45.2541 176.1893 69 G 4.0378 8.6790 111.3101 45.7315 0.0000 173.5735 70 T 4.6037 8.4063 114.2532 61.6076 70.3969 174.3431 71 A 4.6032 7.5030 122.1193 51.1492 22.7043 175.0502 72 I 4.8911 8.4015 121.2116 59.6535 41.1456 174.3413 73 C 4.7711 9.3214 129.7416 57.6309 33.1968 172.7185 74 V 5.1288 8.1232 117.1253 59.4358 35.8243 175.1784 75 T 4.4606 8.7974 113.3385 61.3244 71.1346 173.5583 76 H 5.1601 8.7375 121.9377 55.1725 31.6195 172.5115 77 T 4.7502 9.5315 115.2573 61.1561 70.1879 174.0867 78 A 4.6814 7.9797 123.5765 50.3663 22.3476 174.8978 79 A 4.6933 8.4250 122.2390 51.2223 20.9456 177.0828 80 T 4.6719 8.4016 116.5868 61.0109 71.9624 171.9788 81 P 4.9838 0.0000 0.0000 61.5778 33.0217 174.4927 82 P 4.3818 0.0000 0.0000 63.7387 31.8868 175.6981 83 G 4.0130 8.9763 109.1620 45.5607 0.0000 174.5924 84 L 4.2026 7.3072 117.4216 54.9046 43.2872 176.3557 85 T 4.6364 8.2387 117.9286 62.3355 70.5493 173.7628 86 V 4.4858 8.4843 127.2167 61.8888 33.4859 174.4590 87 T 4.8370 8.9167 125.2186 61.8996 70.6455 173.4655 88 V 4.7504 9.0445 127.3433 61.4833 33.8220 174.3654 89 T 5.0398 9.0169 124.4909 61.6586 71.5500 173.0114 90 A 5.1643 9.1854 127.5685 50.1382 22.1328 174.3461 91 E 5.1366 9.6392 124.3200 54.0162 32.7832 174.8019 92 L 3.3794 8.9839 130.3282 55.7730 42.3475 177.4436 93 R 4.3110 8.6792 126.5631 58.2983 31.3731 176.7493 94 S 4.4334 7.2179 110.6346 57.2420 66.2631 175.1986 95 V 4.2526 7.9399 119.5102 61.8961 32.4910 175.0855 96 E 4.0918 8.0932 117.1661 56.1482 29.6747 181.0271 97 G 4.0547 8.4139 119.8827 45.2493 0.0000 173.0245 98 R 4.4615 9.0097 128.7398 57.1437 30.2101 175.5016 99 R 5.0591 7.6645 119.9108 56.1110 32.3043 179.8235 100 L 4.7508 8.7425 124.3441 51.9862 45.1646 175.6149 101 S 4.9734 8.3004 115.8451 56.4590 65.3654 172.6786 102 W 5.1554 9.7357 127.4332 55.0112 32.1008 174.9480 103 R 4.9086 8.9785 124.3347 55.4068 31.1848 175.2872 104 V 5.1798 8.5984 120.0958 59.7107 34.6130 175.0590 105 S 5.2388 9.1906 118.3469 57.0485 67.3682 172.4236 106 A 5.8184 8.9799 120.4362 51.4867 22.7954 175.0486 107 H 5.3474 8.5734 115.2928 53.9537 32.9218 173.0894 108 D 5.6487 8.4585 116.8628 52.5365 39.4669 178.6137 109 G 4.0718 8.6916 109.4489 46.4172 0.0000 174.9231 110 V 4.1494 7.7966 116.6423 63.9878 32.9913 175.2913 111 D 5.0223 8.7176 119.0805 51.7471 44.0254 175.2866 112 E 4.3005 8.8507 121.8785 57.0842 29.8172 177.1604 113 I 4.2563 9.4807 117.6064 59.9633 38.9076 175.7560 114 G 4.6173 7.6243 111.5217 45.3779 0.0000 170.7925 115 S 4.9430 7.0770 112.7952 57.4134 66.7235 175.8842 116 G 4.1398 6.6721 108.2779 45.7834 0.0000 171.8543 117 T 5.2410 8.7743 113.5849 60.3664 73.0555 173.0232 118 H 5.4775 9.5392 121.9169 54.7059 33.5079 171.7657 119 E 5.3033 8.9461 124.4005 54.7559 32.8185 175.2443 120 R 5.1915 8.9357 120.5245 54.4110 35.2410 173.8641 121 A 5.1974 8.6723 122.9761 49.9073 21.8935 175.8485 122 V 4.2610 9.0455 124.2200 62.8664 32.2606 175.3855 123 I 4.6166 8.7637 123.3407 59.9223 41.3940 174.7663 *124 H 4.9238 8.5134 121.3543 54.2084 28.7223 176.6648 125 L 4.0695 9.1997 125.9596 57.1823 41.6320 179.7021 126 E 4.1578 8.1971 118.2473 59.0268 29.5773 179.3040 127 K 4.0750 8.0490 118.6781 59.6303 32.9468 178.9026 128 F 4.0989 8.6524 122.2491 61.2245 39.3345 176.7605 129 N 4.1273 8.7673 116.2799 56.1901 38.1887 176.9884 130 A 3.9367 7.7887 121.5779 55.3728 16.9922 179.9306 131 K 3.8729 7.6815 116.2782 59.5803 32.0945 180.1144 132 V 3.7073 7.3728 112.7704 64.1831 31.1532 178.7941 133 R 3.9048 7.6770 117.2641 59.0167 29.8734 178.4465 134 Q 4.1014 7.4807 117.4227 59.5184 28.8944 179.6949 135 K 4.3584 7.2899 115.4969 58.4406 32.2436 177.2757 136 T 3.9504 7.4258 115.1528 62.6221 67.6721 172.5781 137 P 4.4036 0.0000 0.0000 62.8998 31.2667 176.4634 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 5 M 8.40 3.54 0.00 1.58 1.70 0.00 0.00 0.00 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.81 0.00 6 R 8.79 4.20 0.00 1.70 1.80 0.00 3.31 0.00 0.00 3.13 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.50 0.00 7 V 8.32 3.61 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 0.93 0.00 0.00 0.80 0.00 0.00 8 G 9.12 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 9 E 8.60 4.20 0.00 2.21 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 2.46 2.42 0.00 10 R 8.67 5.39 0.00 1.75 1.84 0.00 3.24 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.84 0.00 11 F 9.39 5.06 0.00 3.09 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 12 T 7.69 4.86 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 1.03 0.00 0.00 13 H 8.81 4.54 0.00 2.85 2.91 0.00 5.73 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.42 5.44 0.00 2.46 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 F 8.52 4.55 0.00 2.83 2.74 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 16 V 7.89 3.81 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 0.58 0.00 0.00 0.77 0.00 0.00 17 V 8.22 3.43 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 0.73 0.00 0.00 0.10 0.00 0.00 18 P 0.00 4.72 0.00 1.84 1.92 0.00 3.57 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 19 P 0.00 4.22 0.00 2.19 2.23 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 1.98 1.95 0.00 20 H 7.82 4.10 0.00 3.10 3.30 0.00 5.69 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 7.77 4.02 0.00 1.91 1.72 0.00 0.69 0.00 0.00 0.61 0.00 0.00 2.92 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.07 1.53 7.81 22 T 7.73 5.41 4.51 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 1.35 0.00 0.00 23 V 8.66 3.35 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 0.05 0.00 0.00 1.11 0.00 0.00 24 R 7.98 4.21 0.00 2.02 2.24 0.00 3.22 0.00 0.00 3.31 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 25 H 8.15 4.67 0.00 3.65 3.66 0.00 5.66 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 7.97 3.79 0.00 1.01 1.56 0.02 0.56 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 27 Y 7.41 5.17 0.00 3.15 2.88 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 28 P 0.00 4.46 0.00 2.08 2.16 0.00 3.69 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 2.07 2.14 0.00 29 E 8.40 4.04 0.00 2.17 2.26 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 2.59 2.39 0.00 30 S 8.25 4.50 0.00 3.78 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 31 P 0.00 4.33 0.00 2.05 2.11 0.00 3.68 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 2.01 2.12 0.00 32 E 8.00 4.12 0.00 1.56 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 2.18 2.31 0.00 33 F 8.41 4.95 0.00 2.99 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 34 A 7.95 4.09 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 35 E 8.60 4.29 0.00 2.13 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 0.00 2.37 2.33 0.00 36 F 8.21 3.87 0.00 3.26 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 37 P 0.00 4.37 0.00 2.07 2.01 0.00 3.54 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 1.90 2.02 0.00 38 E 8.55 4.47 0.00 2.01 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 2.38 2.32 0.00 39 V 7.26 4.81 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 0.81 0.00 0.00 1.07 0.00 0.00 40 F 9.45 4.94 0.00 3.02 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 41 A 8.99 4.22 1.14 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 0.00 0.00 0.00 42 T 8.91 3.79 4.19 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 1.19 0.00 0.00 43 G 7.77 3.60 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 0.00 0.00 0.00 44 F 7.60 4.42 0.00 2.91 2.91 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 45 M 7.57 3.92 0.00 1.88 1.47 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.51 0.00 46 V 8.17 3.62 2.13 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 0.98 0.00 0.00 0.91 0.00 0.00 47 G 7.88 3.57 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 0.00 48 L 8.53 4.34 0.00 2.00 1.99 0.64 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 49 M 8.43 3.99 0.00 2.05 2.20 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 2.75 2.60 0.00 50 E 8.13 3.74 0.00 2.13 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 1.91 2.40 0.00 51 W 8.71 4.39 0.00 3.47 3.30 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 52 A 7.87 3.75 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 53 C 7.60 3.06 0.00 2.60 1.54 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 54 V 8.06 3.56 2.28 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 1.05 0.00 0.00 0.92 0.00 0.00 55 R 7.84 3.80 0.00 1.46 1.39 0.00 3.00 0.00 0.00 3.01 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 56 A 7.20 3.80 1.20 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 0.00 0.00 57 M 8.00 4.51 0.00 2.66 2.52 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.92 0.00 58 A 7.57 3.96 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 59 P 0.00 4.50 0.00 1.74 1.98 0.00 3.62 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.98 0.00 60 Y 7.96 4.52 0.00 3.12 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 61 L 7.61 4.46 0.00 1.82 1.61 0.95 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.92 4.37 0.00 2.15 1.86 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 2.33 2.40 0.00 63 P 0.00 4.31 0.00 2.17 2.10 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 2.00 0.00 64 G 9.19 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 65 E 7.87 5.10 0.00 2.20 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 2.40 2.25 0.00 66 G 8.52 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 0.00 0.00 0.00 0.00 67 S 8.50 5.21 0.00 3.93 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 68 L 8.44 4.75 0.00 1.48 1.45 0.38 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.68 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 0.00 0.00 0.00 0.00 70 T 8.41 4.60 4.25 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 1.21 0.00 0.00 71 A 7.50 4.60 1.24 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 0.00 0.00 72 I 8.40 4.89 1.93 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.88 0.92 0.00 0.00 73 C 9.32 4.77 0.00 3.03 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 74 V 8.12 5.13 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 0.83 0.00 0.00 0.93 0.00 0.00 75 T 8.80 4.46 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 76 H 8.74 5.16 0.00 3.11 3.20 0.00 5.68 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 T 9.53 4.75 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 1.25 0.00 0.00 78 A 7.98 4.68 1.25 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 79 A 8.42 4.69 1.26 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 0.00 0.00 0.00 80 T 8.40 4.67 4.40 0.00 0.00 0.00 0.00 0.00 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 81 P 0.00 4.98 0.00 2.11 2.19 0.00 3.71 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.00 0.00 82 P 0.00 4.38 0.00 2.02 2.05 0.00 3.64 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 2.03 2.10 0.00 83 G 8.98 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 84 L 7.31 4.20 0.00 1.59 1.53 0.94 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 85 T 8.24 4.64 4.16 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 0.00 0.00 0.00 1.11 0.00 0.00 86 V 8.48 4.49 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 1.04 0.00 0.00 0.65 0.00 0.00 87 T 8.92 4.84 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 1.16 0.00 0.00 88 V 9.04 4.75 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 1.04 0.00 0.00 0.98 0.00 0.00 89 T 9.02 5.04 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 1.23 0.00 0.00 90 A 9.19 5.16 1.17 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 91 E 9.64 5.14 0.00 2.06 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 2.22 2.27 0.00 92 L 8.98 3.38 0.00 0.67 1.20 -0.01 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 93 R 8.68 4.31 0.00 1.79 1.89 0.00 3.39 0.00 0.00 3.24 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 94 S 7.22 4.43 0.00 3.76 3.82 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 95 V 7.94 4.25 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 0.90 0.00 0.00 0.71 0.00 0.00 96 E 8.09 4.09 0.00 1.93 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 2.32 1.91 0.00 97 G 8.41 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 0.00 0.00 0.00 98 R 9.01 4.46 0.00 1.51 1.91 0.00 3.20 0.00 0.00 3.37 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.19 0.00 99 R 7.66 5.06 0.00 1.59 1.80 0.00 3.20 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.44 0.00 100 L 8.74 4.75 0.00 1.68 1.10 0.94 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 101 S 8.30 4.97 0.00 3.89 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 0.00 102 W 9.74 5.16 0.00 3.39 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 0.00 103 R 8.98 4.91 0.00 1.93 1.87 0.00 3.08 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 104 V 8.60 5.18 2.12 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 0.74 0.00 0.00 1.04 0.00 0.00 105 S 9.19 5.24 0.00 3.86 3.95 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 0.00 0.00 0.00 106 A 8.98 5.82 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 0.00 107 H 8.57 5.35 0.00 3.34 3.57 0.00 5.61 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 D 8.46 5.65 0.00 2.87 2.88 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 0.00 109 G 8.69 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 0.00 110 V 7.80 4.15 2.21 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 0.83 0.00 0.00 0.93 0.00 0.00 111 D 8.72 5.02 0.00 2.68 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 0.00 112 E 8.85 4.30 0.00 1.99 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 2.33 2.27 0.00 113 I 9.48 4.26 2.16 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.98 1.13 0.00 0.00 114 G 7.62 4.62 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 0.00 115 S 7.08 4.94 0.00 3.98 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 0.00 116 G 6.67 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 0.00 0.00 0.00 0.00 117 T 8.77 5.24 4.47 0.00 0.00 0.00 0.00 0.00 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 0.00 118 H 9.54 5.48 0.00 3.23 3.24 0.00 5.55 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 E 8.95 5.30 0.00 1.94 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 2.24 2.26 0.00 120 R 8.94 5.19 0.00 1.87 1.89 0.00 3.10 0.00 0.00 3.22 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.64 0.00 121 A 8.67 5.20 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 0.00 122 V 9.05 4.26 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 0.86 0.00 0.00 1.00 0.00 0.00 123 I 8.76 4.62 1.83 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.69 0.73 0.00 0.00 *124 H 8.51 4.92 0.00 2.62 3.00 0.00 7.19 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 L 9.20 4.07 0.00 1.77 1.81 0.99 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 126 E 8.20 4.16 0.00 2.08 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 2.42 2.44 0.00 127 K 8.05 4.07 0.00 2.01 2.09 0.00 1.54 0.00 0.00 1.78 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.69 7.81 128 F 8.65 4.10 0.00 3.18 3.35 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 0.00 129 N 8.77 4.13 0.00 2.74 2.84 0.00 0.00 6.93 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 A 7.79 3.94 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 0.00 131 K 7.68 3.87 0.00 1.79 1.74 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.44 7.81 132 V 7.37 3.71 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 0.21 0.00 0.00 0.84 0.00 0.00 133 R 7.68 3.90 0.00 1.92 1.96 0.00 3.17 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.83 0.00 134 Q 7.48 4.10 0.00 2.06 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.01 0.00 0.00 0.00 0.00 0.00 2.37 2.60 0.00 135 K 7.29 4.36 0.00 1.85 1.84 0.00 1.68 0.00 0.00 1.66 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.44 7.81 136 T 7.43 3.95 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 1.20 0.00 0.00 137 P 0.00 4.40 0.00 2.17 2.03 0.00 3.78 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 1.98 1.95 0.00 * Residues marked with a * may have inaccurate shift predictions.