NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 P 4.7000 0.0000 0.0000 63.0593 32.8658 174.9987 9 G 4.2761 8.7436 108.4428 43.5171 0.0000 169.7249 10 K 5.4429 9.1787 119.5886 54.7663 37.1068 173.6021 11 A 5.2032 8.6274 123.1783 51.8137 20.0178 176.7670 12 T 4.7930 8.8395 111.7133 60.3297 72.9494 173.3630 13 G 4.0657 9.1937 110.3204 45.7008 0.0000 174.1410 14 K 4.4167 9.5664 118.1831 53.0036 33.8585 176.0147 15 G 4.4325 8.0994 105.1348 46.1793 0.0000 172.4317 16 K 4.6446 7.9194 116.9546 53.9175 36.3774 173.6481 17 P 5.2038 0.0000 0.0000 62.7990 32.0549 176.7497 *21 K 4.3465 8.3622 121.7208 53.8452 33.2998 175.5828 22 W 4.4930 9.3337 120.0333 58.8232 27.9956 177.9622 23 L 3.6279 7.2926 117.7188 56.3591 41.3255 178.3965 24 D 4.4678 7.5442 117.8724 56.7251 41.1382 177.3100 25 D 4.5123 7.9173 118.2108 56.1423 41.4756 178.2581 26 A 4.2411 7.7564 122.5147 54.3712 18.4181 178.7936 27 G 4.0148 8.0192 103.0184 45.5583 0.0000 172.8784 28 K 4.5833 7.8852 118.3026 55.7950 36.7084 176.2997 29 D 4.0983 8.3373 118.7806 56.1922 39.0928 174.8374 30 S 4.5655 8.8612 122.0941 59.1190 63.4558 175.6366 31 G 3.7514 7.9322 108.5784 44.8644 0.0000 172.8351 32 A 5.0025 8.3539 120.2883 49.6161 21.9792 175.4478 33 P 4.8696 0.0000 0.0000 62.1248 33.4573 175.7477 34 I 4.2118 8.2227 121.3699 59.7422 38.0200 174.3772 35 P 5.2246 0.0000 0.0000 61.9519 32.1521 176.7173 36 D 4.5682 8.6794 122.1779 56.2619 38.9941 179.1151 37 R 3.8397 7.8395 119.1993 58.8485 30.0922 178.8961 38 I 3.5326 7.5228 118.5171 64.2394 37.1571 177.9429 39 A 3.9795 8.0919 121.8202 55.6042 17.9477 179.4864 40 D 4.3289 8.3706 116.1806 57.3530 40.9110 178.7901 41 K 4.1464 7.7413 118.0348 58.5046 32.3781 178.5751 42 L 4.5078 7.9597 118.9811 54.7066 42.0233 176.9003 43 R 4.1073 7.2520 114.4814 58.1446 29.2521 176.2312 44 D 4.8250 9.3563 122.7478 53.8701 40.6145 175.0085 45 K 3.8469 7.9751 119.9931 56.1786 32.6625 176.4531 46 E 4.4409 8.3698 126.2281 56.2366 30.8277 175.8139 47 F 5.0513 9.2046 123.2373 55.8717 42.9393 175.9784 48 K 4.0930 9.3181 124.8521 59.2547 32.4822 176.6542 49 S 4.7519 7.3948 109.0337 56.5600 67.2829 176.1618 50 F 4.6811 8.9769 124.9896 60.8959 39.1434 176.6842 51 D 4.4421 8.3180 118.5065 56.2548 39.2300 177.9053 52 D 4.2877 7.6879 120.1707 57.4824 40.7890 178.7407 53 F 2.5794 7.4365 120.8036 60.4237 38.5773 177.2648 54 R 3.4912 7.2983 118.0854 58.9196 29.4966 178.5750 55 K 4.1027 8.5092 118.3265 58.9296 31.6836 179.1749 56 A 3.7854 6.8474 120.7535 54.7749 18.5397 179.4215 57 V 3.1713 6.7726 116.4022 65.6164 31.3018 178.1373 58 W 4.4392 7.5316 117.4174 59.1100 28.8936 178.3209 59 E 3.9804 7.7146 118.4417 59.2090 28.5599 178.8168 60 E 4.0072 7.5042 118.3445 58.4090 29.9811 178.0991 61 V 3.7672 7.7048 118.1562 66.2782 31.4676 177.3253 62 S 4.2735 7.7656 112.6386 61.9654 62.6721 175.9427 63 K 4.4884 7.8393 120.9544 55.9214 32.8604 176.8541 64 D 4.7062 7.4170 120.4078 51.2911 43.6408 173.7673 65 P 4.4169 0.0000 0.0000 62.8709 29.7962 177.4965 *68 S 4.5544 7.6724 112.5691 58.0914 65.4092 175.2552 69 K 3.8229 7.4412 120.3536 57.0285 32.4562 176.4618 *71 L 4.0383 8.3337 122.5169 54.0257 42.1365 176.8715 72 N 4.5294 8.5005 121.9401 52.0877 39.0920 173.6699 73 P 4.2456 0.0000 0.0000 66.1344 31.4296 179.0831 74 S 4.2225 8.0699 112.1653 61.5829 63.0828 176.0820 75 N 4.4301 8.4894 120.1076 55.7475 38.1432 177.5636 76 K 4.0493 8.7281 120.8430 59.9444 32.4767 179.2710 77 S 4.1003 7.9549 113.4893 61.5294 62.6355 175.6506 78 S 4.2573 8.1826 117.5702 62.2035 62.4760 177.0146 79 V 4.4130 8.2383 115.8383 64.0996 31.2400 178.9417 80 S 4.1250 7.8203 112.9584 60.6443 62.7923 175.4911 81 K 4.3244 8.0925 120.7050 55.8329 32.2048 176.4740 82 G 3.7817 8.1828 106.2573 46.5786 0.0000 172.7357 83 Y 4.6553 7.4134 116.2650 55.1555 40.1453 175.5301 84 S 2.7900 8.2173 118.8272 57.2706 62.7114 171.8972 85 P 4.2319 0.0000 0.0000 62.0284 32.7421 175.4775 86 F 4.6156 7.5090 120.2580 58.3489 39.3949 175.5200 87 T 4.1307 8.2003 113.7498 59.7334 70.4141 172.7259 88 P 4.2881 0.0000 0.0000 63.1570 32.1078 178.2400 89 K 3.8191 8.9299 123.2308 58.0025 31.4310 178.5345 90 N 4.6939 8.0619 113.4111 53.8243 37.7450 175.2377 91 Q 4.3997 8.0970 117.9119 56.0108 29.7509 175.4772 92 Q 4.6872 7.4942 117.2473 55.0373 30.1048 175.5681 93 V 4.3555 8.3779 119.3650 62.6715 35.5120 174.9186 94 G 3.8953 8.5238 116.8500 47.0228 0.0000 175.2523 95 G 3.6534 8.7690 112.8146 46.2358 0.0000 173.2924 96 R 4.2954 8.2484 120.9003 55.3870 29.5313 176.7935 97 K 4.5033 8.5373 121.6205 55.9064 33.8127 176.1463 98 V 4.6643 7.2128 110.9509 58.3369 34.7702 174.6941 99 Y 4.4399 8.0184 118.8818 58.1806 38.5589 175.5861 100 E 5.0249 9.5416 121.8000 54.5430 33.5192 175.0841 101 L 4.9453 8.8419 122.8514 54.6885 43.0262 175.6836 102 H 5.0638 9.6985 123.3845 54.2198 33.1097 172.0890 103 A 4.5933 8.6546 127.6958 51.1355 18.3890 176.2540 104 D 4.4707 8.8576 123.6187 57.1023 41.7374 177.0504 105 K 4.7039 8.6166 115.7157 53.7419 35.9818 175.2292 106 P 4.6448 0.0000 0.0000 63.0415 29.6209 176.7722 107 I 4.4536 7.2196 107.3132 60.6208 38.6159 177.7432 108 S 3.9681 8.2839 115.4171 60.0977 62.8826 174.2913 109 Q 3.4650 8.9825 119.6872 56.4068 25.4817 179.0647 110 G 3.7039 8.6234 100.3067 47.1216 0.0000 173.7219 111 G 3.6897 8.4572 105.5205 46.4123 0.0000 175.1889 112 E 4.6427 7.6789 118.1324 55.7130 31.1255 175.9963 113 V 4.6889 7.5416 118.0909 60.9785 34.4269 175.4628 114 Y 4.3297 8.3749 124.5815 56.1464 37.5537 173.4250 115 D 4.7352 7.9268 119.3151 54.2909 41.8557 175.6946 116 M 4.6541 9.7640 126.2006 56.0972 32.5546 177.9913 117 D 4.5827 8.7888 120.8324 55.2875 42.3230 178.1051 118 N 4.5625 8.3958 117.5820 55.3829 39.5813 174.9333 119 I 4.6218 7.6098 118.2700 61.2469 38.0841 175.8140 120 R 4.9899 9.3963 124.7520 54.4573 35.0248 174.2210 121 V 5.0280 9.0697 121.1415 61.6426 33.5277 174.7105 122 T 5.4057 8.9760 117.7024 59.8260 72.7049 173.4332 123 T 4.1685 8.4570 112.6081 60.9894 70.0565 173.6385 124 P 4.2467 0.0000 0.0000 66.0876 31.4696 178.7239 125 K 3.9159 8.0528 117.9885 59.5346 32.0723 178.8223 126 R 3.9101 7.8270 118.8320 59.6566 29.8984 178.0087 127 H 4.3313 8.3468 118.1978 59.1680 29.7594 177.4095 128 I 3.7388 7.8769 121.8201 64.3909 36.7327 178.1191 129 D 4.3412 7.6938 118.2803 57.2107 40.6775 178.3996 130 I 3.8022 8.0033 119.7578 65.1189 37.2770 177.9403 131 H 4.4833 7.8128 115.0046 56.5567 28.6129 177.6747 132 R 5.1892 8.4274 129.7873 57.7067 31.2874 174.4038 133 G 4.0510 7.9527 109.5920 45.7697 0.0000 172.9827 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 8 P 0.00 4.70 0.00 2.14 2.18 0.00 3.77 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.02 0.00 9 G 8.74 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 0.00 0.00 0.00 0.00 10 K 9.18 5.44 0.00 1.86 1.86 0.00 1.35 0.00 0.00 1.66 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.51 7.81 11 A 8.63 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 12 T 8.84 4.79 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 13 G 9.19 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 14 K 9.57 4.42 0.00 1.64 1.77 0.00 1.96 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.26 1.21 7.81 15 G 8.10 4.43 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.92 4.64 0.00 1.77 1.64 0.00 1.68 0.00 0.00 1.88 0.00 0.00 3.10 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.43 7.81 17 P 0.00 5.20 0.00 2.13 2.10 0.00 3.38 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.89 0.00 *21 K 8.36 4.35 0.00 1.73 1.77 0.00 1.81 0.00 0.00 1.87 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.01 7.81 22 W 9.33 4.49 0.00 3.60 3.32 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 23 L 7.29 3.63 0.00 1.35 1.30 0.41 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 24 D 7.54 4.47 0.00 2.76 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 25 D 7.92 4.51 0.00 2.97 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 26 A 7.76 4.24 1.42 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 0.00 0.00 27 G 8.02 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 28 K 7.89 4.58 0.00 1.87 1.90 0.00 1.50 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.34 1.57 7.81 29 D 8.34 4.10 0.00 2.85 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 30 S 8.86 4.57 0.00 4.04 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 31 G 7.93 3.75 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 0.00 0.00 0.00 32 A 8.35 5.00 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 33 P 0.00 4.87 0.00 2.12 2.12 0.00 3.98 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 2.05 2.05 0.00 34 I 8.22 4.21 2.05 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.65 0.85 0.00 0.00 35 P 0.00 5.22 0.00 1.82 1.63 0.00 3.53 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.60 0.00 36 D 8.68 4.57 0.00 2.86 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 37 R 7.84 3.84 0.00 1.73 1.94 0.00 3.07 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 38 I 7.52 3.53 1.82 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.47 0.68 0.00 0.00 39 A 8.09 3.98 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 40 D 8.37 4.33 0.00 2.78 2.72 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 0.00 0.00 0.00 41 K 7.74 4.15 0.00 1.70 1.83 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.59 1.55 7.81 42 L 7.96 4.51 0.00 1.81 1.93 0.49 0.83 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 43 R 7.25 4.11 0.00 1.95 2.10 0.00 3.09 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.65 0.00 44 D 9.36 4.83 0.00 2.78 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 45 K 7.98 3.85 0.00 1.85 0.77 0.00 1.46 0.00 0.00 1.52 0.00 0.00 2.86 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.32 1.20 7.81 46 E 8.37 4.44 0.00 1.86 1.70 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 2.28 2.33 0.00 47 F 9.20 5.05 0.00 2.96 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 48 K 9.32 4.09 0.00 1.81 2.16 0.00 1.85 0.00 0.00 1.80 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.49 7.81 49 S 7.39 4.75 0.00 4.19 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 50 F 8.98 4.68 0.00 3.31 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 51 D 8.32 4.44 0.00 3.04 3.03 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 0.00 0.00 0.00 52 D 7.69 4.29 0.00 3.03 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 53 F 7.44 2.58 0.00 1.51 2.22 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 54 R 7.30 3.49 0.00 1.70 1.98 0.00 3.31 0.00 0.00 3.31 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.81 0.00 55 K 8.51 4.10 0.00 1.80 1.71 0.00 1.61 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.57 7.81 56 A 6.85 3.79 0.98 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 57 V 6.77 3.17 1.44 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 0.18 0.00 0.00 -0.08 0.00 0.00 58 W 7.53 4.44 0.00 3.38 3.11 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 59 E 7.71 3.98 0.00 1.94 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 2.40 0.00 60 E 7.50 4.01 0.00 1.98 1.85 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 2.15 2.24 0.00 61 V 7.70 3.77 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 1.43 0.00 0.00 1.00 0.00 0.00 62 S 7.77 4.27 0.00 4.04 4.03 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 0.00 0.00 0.00 63 K 7.84 4.49 0.00 1.91 1.96 0.00 1.54 0.00 0.00 1.61 0.00 0.00 3.12 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.69 1.41 7.81 64 D 7.42 4.71 0.00 2.65 2.63 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 0.00 0.00 0.00 0.00 65 P 0.00 4.42 0.00 2.25 2.23 0.00 3.75 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.96 0.00 *68 S 7.67 4.55 0.00 4.21 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 69 K 7.44 3.82 0.00 2.03 1.94 0.00 1.56 0.00 0.00 1.73 0.00 0.00 3.14 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.65 7.81 *71 L 8.33 4.04 0.00 1.62 1.78 0.96 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 72 N 8.50 4.53 0.00 3.01 3.00 0.00 0.00 6.16 7.76 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 73 P 0.00 4.25 0.00 2.19 2.18 0.00 3.62 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.19 0.00 74 S 8.07 4.22 0.00 4.13 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 0.00 75 N 8.49 4.43 0.00 3.10 2.93 0.00 0.00 6.73 6.35 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 76 K 8.73 4.05 0.00 1.96 2.10 0.00 1.34 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.70 1.47 7.81 77 S 7.95 4.10 0.00 3.94 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 78 S 8.18 4.26 0.00 4.01 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 79 V 8.24 4.41 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 0.59 0.00 0.00 1.11 0.00 0.00 80 S 7.82 4.12 0.00 3.99 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 81 K 8.09 4.32 0.00 1.87 1.96 0.00 1.90 0.00 0.00 2.05 0.00 0.00 3.15 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.35 1.46 7.81 82 G 8.18 3.78 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 0.00 0.00 0.00 83 Y 7.41 4.66 0.00 2.99 2.60 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 84 S 8.22 2.79 0.00 3.53 3.47 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 0.00 85 P 0.00 4.23 0.00 2.24 1.97 0.00 2.59 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.52 0.00 86 F 7.51 4.62 0.00 2.97 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 87 T 8.20 4.13 3.84 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 0.27 0.00 0.00 88 P 0.00 4.29 0.00 2.17 2.02 0.00 3.55 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 2.12 2.11 0.00 89 K 8.93 3.82 0.00 1.67 1.85 0.00 1.79 0.00 0.00 1.87 0.00 0.00 2.90 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.46 1.04 7.81 90 N 8.06 4.69 0.00 2.79 2.94 0.00 0.00 5.92 7.39 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 91 Q 8.10 4.40 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.88 0.00 0.00 0.00 0.00 0.00 2.26 2.41 0.00 92 Q 7.49 4.69 0.00 1.96 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.58 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 93 V 8.38 4.36 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 1.02 0.00 0.00 0.92 0.00 0.00 94 G 8.52 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 0.00 0.00 0.00 95 G 8.77 3.65 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 0.00 0.00 0.00 96 R 8.25 4.30 0.00 2.03 2.04 0.00 3.09 0.00 0.00 3.17 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 97 K 8.54 4.50 0.00 1.99 1.97 0.00 1.65 0.00 0.00 1.77 0.00 0.00 2.84 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.65 7.81 98 V 7.21 4.66 1.92 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 0.59 0.00 0.00 0.87 0.00 0.00 99 Y 8.02 4.44 0.00 2.91 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 0.00 100 E 9.54 5.02 0.00 1.88 1.94 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 2.31 2.32 0.00 101 L 8.84 4.95 0.00 2.00 1.95 0.91 1.04 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 0.00 102 H 9.70 5.06 0.00 2.98 3.27 0.00 5.77 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 8.65 4.59 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 0.00 104 D 8.86 4.47 0.00 2.75 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 0.00 105 K 8.62 4.70 0.00 1.70 1.65 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.37 7.81 106 P 0.00 4.64 0.00 2.02 2.02 0.00 3.63 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 107 I 7.22 4.45 1.85 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 1.64 0.83 0.90 0.00 0.00 108 S 8.28 3.97 0.00 3.82 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 0.00 109 Q 8.98 3.47 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.22 0.00 0.00 0.00 0.00 0.00 2.21 2.16 0.00 110 G 8.62 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 0.00 111 G 8.46 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 0.00 0.00 0.00 112 E 7.68 4.64 0.00 2.17 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 2.22 2.21 0.00 113 V 7.54 4.69 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 0.75 0.00 0.00 0.91 0.00 0.00 114 Y 8.37 4.33 0.00 2.80 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 0.00 0.00 0.00 115 D 7.93 4.74 0.00 2.71 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 M 9.76 4.65 0.00 2.03 2.19 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.04 2.79 0.00 117 D 8.79 4.58 0.00 2.92 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 0.00 118 N 8.40 4.56 0.00 2.80 2.93 0.00 0.00 7.07 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 0.00 119 I 7.61 4.62 1.99 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 1.43 0.90 1.11 0.00 0.00 120 R 9.40 4.99 0.00 1.77 2.02 0.00 3.45 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.80 0.00 121 V 9.07 5.03 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 1.02 0.00 0.00 0.99 0.00 0.00 122 T 8.98 5.41 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 0.00 123 T 8.46 4.17 4.12 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 0.00 0.00 0.00 1.27 0.00 0.00 124 P 0.00 4.25 0.00 2.28 2.17 0.00 3.56 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 2.19 2.21 0.00 125 K 8.05 3.92 0.00 1.93 1.79 0.00 1.73 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.44 7.81 126 R 7.83 3.91 0.00 1.94 2.06 0.00 3.20 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.68 0.00 127 H 8.35 4.33 0.00 3.39 3.42 0.00 5.66 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 0.00 128 I 7.88 3.74 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 1.51 0.67 0.90 0.00 0.00 129 D 7.69 4.34 0.00 2.90 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 0.00 130 I 8.00 3.80 1.85 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.72 0.80 0.00 0.00 131 H 7.81 4.48 0.00 3.06 3.33 0.00 5.80 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 R 8.43 5.19 0.00 1.85 2.01 0.00 3.36 0.00 0.00 3.37 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.36 0.00 133 G 7.95 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 * Residues marked with a * may have inaccurate shift predictions.