NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 20 S 4.4042 8.3344 115.4117 57.5495 64.3678 173.1706 21 N 4.1454 8.5982 120.8290 53.1821 39.2898 173.2631 22 I 3.7300 8.3366 125.7911 61.2793 38.8180 175.2479 23 Q 4.0950 8.6287 126.7252 56.2399 29.8513 174.9044 24 S 5.1390 8.3194 120.0184 56.6536 66.1990 172.7262 25 Y 5.3121 8.4352 118.8882 56.3456 40.8513 176.0797 26 S 4.6833 9.2294 118.8075 57.1676 64.6634 174.0791 27 F 4.4052 9.1202 122.1542 61.6179 39.2180 176.0847 28 E 3.8002 8.3240 119.3549 59.5175 29.5320 179.3787 29 D 4.1736 8.0626 115.1979 55.0331 40.5841 178.0272 *31 K 4.1286 8.1609 122.5369 56.5482 34.0813 177.9941 32 R 3.8315 7.8358 117.6436 59.3020 29.6765 179.1175 33 I 3.4920 7.3929 118.2650 64.2683 37.4382 178.2679 34 V 3.6742 7.6264 118.6652 66.0241 31.1785 178.1473 35 G 3.6338 7.9055 103.7039 47.2057 0.0000 175.4335 36 K 4.0623 7.6988 119.8498 57.1678 32.7503 176.4977 37 H 3.9144 7.6238 114.8446 56.5253 27.1256 174.8957 38 D 4.4803 7.7409 118.5136 53.2264 41.7479 174.8069 39 P 4.3996 0.0000 0.0000 64.9977 31.7421 176.5925 40 N 4.9050 8.7283 116.7120 52.7682 38.8056 173.6270 41 V 4.8865 7.5666 117.8058 61.0110 34.2475 174.9313 42 V 4.3250 8.8941 127.2997 61.0888 34.3745 174.0895 43 L 4.7037 8.5332 128.2081 53.6190 43.2291 175.9433 44 V 4.1584 8.5324 126.7433 61.1721 32.7548 173.9340 45 D 4.0727 8.6439 129.4295 52.6714 42.3186 176.4854 46 V 4.8938 8.2701 119.2550 60.5459 32.7543 176.6125 47 R 4.5031 8.2786 121.2199 55.8069 30.8363 176.1228 48 E 4.1845 9.2123 119.2365 55.5948 31.4058 176.5986 49 P 4.5602 0.0000 0.0000 65.1745 31.1309 179.2269 50 S 4.1970 8.0033 111.8511 61.5545 63.1547 175.9327 51 E 4.1594 8.2187 121.9037 59.1743 27.8744 178.5900 52 Y 4.2756 8.2925 119.7772 59.8099 39.2640 175.7917 53 S 4.6999 8.0225 117.0635 57.9399 62.4096 174.0730 54 I 3.8644 8.0116 129.7859 63.4331 37.2599 176.6677 55 V 4.3082 7.1151 117.9525 62.3602 34.6018 171.5506 56 H 4.7193 7.9180 119.7714 53.9832 31.2976 172.9772 57 I 3.8094 8.0095 121.3659 60.1473 37.4944 174.2698 58 P 4.4355 0.0000 0.0000 64.1302 31.5899 176.6731 59 A 3.8592 8.9004 123.5905 52.1418 16.6118 178.0400 60 S 4.7087 7.8981 110.7669 58.1998 64.2136 173.6168 61 I 4.5288 8.7663 114.1605 59.1641 40.3280 173.8654 62 N 4.9426 8.2104 121.6649 51.9943 40.9626 173.3919 63 V 4.4771 8.4921 126.5232 59.6388 32.4766 171.4530 64 P 4.8579 0.0000 0.0000 61.9439 32.0508 176.8902 65 Y 4.1120 9.2560 125.1134 60.7141 39.1961 177.6943 66 R 3.8740 8.3561 117.3534 59.0590 30.1529 177.8200 67 S 4.3524 7.8624 109.1508 59.3730 64.5128 174.0269 68 H 4.7927 7.8391 118.4546 53.9153 29.2919 172.5590 69 P 3.7749 0.0000 0.0000 64.6148 31.9287 177.6719 70 D 4.6253 7.9184 116.5461 53.1311 40.2305 177.5371 71 A 3.7468 8.1692 124.9795 55.8383 18.2224 179.6341 72 F 4.4991 8.3191 109.9275 58.4907 39.0235 175.8150 73 A 4.4926 8.0583 123.3795 51.9316 19.4738 177.5589 74 L 4.4128 7.7175 116.6237 53.6159 42.7945 177.2340 75 D 4.6583 8.4084 121.7094 52.6019 41.6505 175.6903 76 P 4.2446 0.0000 0.0000 65.7133 31.2923 178.7947 77 L 3.9744 7.9416 118.5620 58.2218 42.0966 178.5074 78 E 3.9735 8.9365 119.6940 58.8922 29.5165 178.3568 79 F 3.8632 8.6924 121.3974 61.4082 39.3823 176.8346 80 E 4.5990 8.2019 119.6621 58.7024 29.1710 178.8664 81 K 3.9380 7.8734 117.9871 59.4648 32.1632 178.9965 82 Q 4.0443 8.0302 117.4317 58.4081 28.8522 177.7538 83 I 3.8015 7.8071 119.3465 60.6694 37.9178 177.1576 84 G 3.9378 8.5334 107.0253 44.9607 0.0000 172.6336 85 I 4.7500 7.0858 111.6918 57.8793 40.9195 172.9633 86 P 4.5354 0.0000 0.0000 61.9416 31.7776 176.5646 87 K 2.4800 8.2015 122.8544 55.0243 32.5629 175.1467 88 P 4.3240 0.0000 0.0000 62.3643 32.1438 175.6002 89 D 4.4180 8.6352 121.6219 54.2820 41.4497 177.2380 90 S 4.1798 8.5412 120.8642 60.1059 63.2506 174.9438 91 A 4.1288 8.4444 123.9956 54.0143 18.4328 177.7008 92 K 4.5180 7.7252 115.1579 55.4478 33.9108 176.3038 93 E 4.5171 8.9094 123.4443 55.9728 30.7577 175.0430 94 L 4.9245 8.7750 127.5454 53.1609 44.1457 175.4547 95 I 4.8652 8.5275 125.4318 59.7923 39.4037 174.6209 96 F 5.1312 9.1701 126.9998 56.3050 41.2443 174.7078 97 Y 5.2551 8.0077 119.3377 55.6613 41.7524 175.2099 98 C 5.0375 9.0032 116.8311 58.3274 28.9266 174.8654 99 A 4.4633 8.9474 118.5936 53.2549 19.2026 178.3877 100 S 4.5521 7.7030 107.5356 57.1475 64.5126 174.2834 101 G 4.0528 8.3764 110.1139 46.3400 0.0000 176.2958 102 K 3.8619 8.4158 120.5531 59.7175 32.1868 178.9458 103 R 3.7299 7.9816 117.9844 58.9323 30.0191 178.9320 104 G 3.8292 8.1743 105.2751 47.9507 0.0000 175.7364 105 G 3.5159 8.0687 108.1241 47.3604 0.0000 175.6835 106 E 3.7537 7.8982 120.7104 59.0669 29.3579 179.3525 107 A 3.9371 7.5826 121.0451 54.9905 18.3045 179.3409 108 Q 2.5200 7.4135 118.0024 58.7190 29.0966 178.8708 109 K 3.9278 7.4994 120.2737 58.6445 31.8113 179.4789 110 V 3.6583 7.3972 117.2903 66.0026 31.8251 177.6384 111 A 4.3575 7.8806 120.7652 55.3236 18.2062 179.8384 112 S 4.7644 8.1986 114.2191 60.8747 62.8467 176.0659 113 S 4.5749 7.8638 116.2755 59.3140 63.3055 173.6325 114 H 4.9149 8.5353 119.3102 55.4611 29.3878 174.3656 115 G 3.8014 8.8344 106.3384 45.3404 0.0000 173.3129 116 Y 4.3966 7.9266 118.3407 56.3662 37.9481 176.2762 117 S 4.4212 8.6007 119.9280 59.3063 64.1138 173.9448 118 N 5.0897 8.0522 120.3489 51.5707 39.6299 172.4467 119 T 5.4270 8.2677 112.8142 59.8431 72.5077 173.0410 120 S 4.9012 9.3510 118.0125 57.4361 68.4318 172.6237 121 L 5.2561 8.9754 120.4657 53.5031 45.2776 175.6972 122 Y 5.3664 8.9406 124.6881 55.1283 37.9627 174.0933 123 P 4.3006 0.0000 0.0000 65.1865 32.0335 179.0598 124 G 3.5105 8.0817 107.5503 46.0749 0.0000 174.7035 125 S 3.2675 6.1068 115.4669 59.3611 62.2337 173.2467 *127 N 4.6857 8.5418 119.6357 53.8943 41.4665 176.5090 128 D 4.3451 8.1008 117.0509 56.9732 41.2370 177.9303 129 W 4.5574 8.5154 128.9041 60.9111 30.8220 178.1900 130 V 3.8155 7.9991 117.5919 66.0222 30.8381 177.7600 131 S 4.0540 8.1022 114.4158 61.5744 62.7569 175.5384 132 H 4.2905 7.5515 115.5258 55.0482 28.6688 175.9913 133 G 3.7495 7.7262 109.9707 45.5466 0.0000 175.9617 134 G 2.2334 7.8605 112.1601 47.6896 0.0000 176.0408 135 D 4.6726 7.8063 117.7589 55.2614 39.5373 176.8641 136 K 4.3368 7.8247 118.3687 56.2934 32.5021 176.6625 137 L 4.3617 7.4084 119.5917 54.5531 42.8231 176.5697 138 D 4.7925 8.0436 117.6036 52.9007 41.1220 175.2015 139 L 4.2809 7.8172 122.8120 54.9141 41.8038 177.2409 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 20 S 8.33 4.40 0.00 3.99 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 21 N 8.60 4.15 0.00 2.75 2.75 0.00 0.00 7.06 7.06 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 22 I 8.34 3.73 1.83 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.62 0.88 0.00 0.00 23 Q 8.63 4.09 0.00 2.08 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.82 0.00 0.00 0.00 0.00 0.00 2.21 1.41 0.00 24 S 8.32 5.14 0.00 3.85 3.72 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 25 Y 8.44 5.31 0.00 2.88 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.23 4.68 0.00 4.10 3.99 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 0.00 0.00 0.00 27 F 9.12 4.41 0.00 3.12 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 28 E 8.32 3.80 0.00 2.03 1.93 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 2.51 2.32 0.00 29 D 8.06 4.17 0.00 3.00 2.61 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 0.00 0.00 0.00 *31 K 8.16 4.13 0.00 1.13 1.64 0.00 1.54 0.00 0.00 1.69 0.00 0.00 2.75 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.24 1.22 7.81 32 R 7.84 3.83 0.00 1.94 1.86 0.00 3.12 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.70 0.00 33 I 7.39 3.49 1.53 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.21 0.68 0.00 0.00 34 V 7.63 3.67 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 1.04 0.00 0.00 0.69 0.00 0.00 35 G 7.91 3.63 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 0.00 0.00 0.00 36 K 7.70 4.06 0.00 1.86 1.84 0.00 1.78 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.43 1.58 7.81 37 H 7.62 3.91 0.00 3.29 3.33 0.00 5.65 0.00 0.00 0.00 0.00 8.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 D 7.74 4.48 0.00 2.63 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 39 P 0.00 4.40 0.00 2.22 2.17 0.00 3.79 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 1.99 1.99 0.00 40 N 8.73 4.91 0.00 2.87 2.84 0.00 0.00 6.22 7.50 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 41 V 7.57 4.89 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 0.69 0.00 0.00 0.96 0.00 0.00 42 V 8.89 4.33 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 0.96 0.00 0.00 0.93 0.00 0.00 43 L 8.53 4.70 0.00 1.68 1.78 0.81 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 44 V 8.53 4.16 1.10 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 0.88 0.00 0.00 0.42 0.00 0.00 45 D 8.64 4.07 0.00 2.70 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 46 V 8.27 4.89 2.40 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 1.26 0.00 0.00 1.04 0.00 0.00 47 R 8.28 4.50 0.00 2.14 2.12 0.00 3.22 0.00 0.00 3.41 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.80 0.00 48 E 9.21 4.18 0.00 2.09 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 2.37 2.51 0.00 49 P 0.00 4.56 0.00 2.16 2.09 0.00 3.88 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.96 0.00 50 S 8.00 4.20 0.00 4.06 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 51 E 8.22 4.16 0.00 2.31 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 0.00 2.46 2.43 0.00 52 Y 8.29 4.28 0.00 3.22 3.14 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 53 S 8.02 4.70 0.00 4.16 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 54 I 8.01 3.86 2.07 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 0.45 0.94 0.00 0.00 55 V 7.12 4.31 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 0.78 0.00 0.00 0.95 0.00 0.00 56 H 7.92 4.72 0.00 2.51 2.26 0.00 5.58 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 I 8.01 3.81 1.68 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.05 -0.16 0.58 0.00 0.00 58 P 0.00 4.44 0.00 2.09 2.04 0.00 3.80 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 2.10 2.13 0.00 59 A 8.90 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 60 S 7.90 4.71 0.00 4.21 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 61 I 8.77 4.53 1.86 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.65 0.92 0.00 0.00 62 N 8.21 4.94 0.00 1.44 2.06 0.00 0.00 6.33 7.71 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 63 V 8.49 4.48 2.32 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 0.69 0.00 0.00 1.06 0.00 0.00 64 P 0.00 4.86 0.00 2.24 2.11 0.00 3.81 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.22 0.00 65 Y 9.26 4.11 0.00 3.09 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 66 R 8.36 3.87 0.00 2.17 1.96 0.00 3.30 0.00 0.00 3.32 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 67 S 7.86 4.35 0.00 3.83 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 68 H 7.84 4.79 0.00 3.26 3.04 0.00 5.62 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 3.77 0.00 1.83 1.36 0.00 3.17 0.00 0.00 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.66 0.00 70 D 7.92 4.63 0.00 2.83 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 71 A 8.17 3.75 1.05 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 72 F 8.32 4.50 0.00 3.21 3.23 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 73 A 8.06 4.49 1.07 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 74 L 7.72 4.41 0.00 1.92 1.68 0.78 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 75 D 8.41 4.66 0.00 2.97 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 76 P 0.00 4.24 0.00 2.17 2.12 0.00 3.60 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 2.10 2.12 0.00 77 L 7.94 3.97 0.00 1.77 1.81 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 78 E 8.94 3.97 0.00 2.12 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 2.31 2.34 0.00 79 F 8.69 3.86 0.00 3.23 3.09 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 80 E 8.20 4.60 0.00 2.17 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 2.39 2.39 0.00 81 K 7.87 3.94 0.00 1.91 1.83 0.00 1.75 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.64 7.81 82 Q 8.03 4.04 0.00 1.76 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.83 0.00 0.00 0.00 0.00 0.00 2.53 2.45 0.00 83 I 7.81 3.80 1.33 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 -0.36 0.59 0.00 0.00 84 G 8.53 3.94 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 0.00 85 I 7.09 4.75 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.09 0.89 0.00 0.00 86 P 0.00 4.54 0.00 2.05 2.01 0.00 3.70 0.00 0.00 3.61 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 87 K 8.20 2.48 0.00 1.18 1.45 0.00 1.79 0.00 0.00 1.62 0.00 0.00 3.13 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.19 0.44 7.81 88 P 0.00 4.32 0.00 2.26 2.03 0.00 3.37 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.09 0.00 89 D 8.64 4.42 0.00 2.68 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 90 S 8.54 4.18 0.00 3.69 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 91 A 8.44 4.13 1.35 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 92 K 7.73 4.52 0.00 1.88 1.88 0.00 1.73 0.00 0.00 1.64 0.00 0.00 3.12 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.41 7.81 93 E 8.91 4.52 0.00 2.11 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 2.37 2.53 0.00 94 L 8.77 4.92 0.00 1.58 0.81 1.01 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 95 I 8.53 4.87 1.95 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.72 1.21 0.00 0.00 96 F 9.17 5.13 0.00 2.93 3.01 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 97 Y 8.01 5.26 0.00 3.03 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 98 C 9.00 5.04 0.00 3.12 2.15 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 99 A 8.95 4.46 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 0.00 100 S 7.70 4.55 0.00 3.97 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 0.00 101 G 8.38 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 0.00 102 K 8.42 3.86 0.00 1.82 1.81 0.00 1.73 0.00 0.00 1.83 0.00 0.00 3.10 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.50 7.81 103 R 7.98 3.73 0.00 1.91 1.97 0.00 3.35 0.00 0.00 3.46 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.75 0.00 104 G 8.17 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 0.00 105 G 8.07 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 E 7.90 3.75 0.00 1.16 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 2.33 2.36 0.00 107 A 7.58 3.94 1.38 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 0.00 0.00 108 Q 7.41 2.52 0.00 1.63 1.92 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 1.99 2.44 0.00 109 K 7.50 3.93 0.00 1.95 1.79 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.30 7.81 110 V 7.40 3.66 2.34 0.00 0.00 0.00 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 1.22 0.00 0.00 111 A 7.88 4.36 0.82 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 0.00 0.00 112 S 8.20 4.76 0.00 4.04 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 0.00 113 S 7.86 4.57 0.00 4.16 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 0.00 114 H 8.54 4.91 0.00 3.50 3.40 0.00 5.63 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 G 8.83 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 0.00 0.00 0.00 116 Y 7.93 4.40 0.00 3.12 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.60 4.42 0.00 4.00 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 0.00 118 N 8.05 5.09 0.00 2.80 2.97 0.00 0.00 6.71 7.22 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 0.00 119 T 8.27 5.43 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 1.40 0.00 0.00 120 S 9.35 4.90 0.00 3.93 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 0.00 121 L 8.98 5.26 0.00 1.57 1.61 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 122 Y 8.94 5.37 0.00 3.04 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 0.00 123 P 0.00 4.30 0.00 2.25 2.20 0.00 4.30 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.02 0.00 124 G 8.08 3.51 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 0.00 125 S 6.11 3.27 0.00 4.07 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 *127 N 8.54 4.69 0.00 2.91 2.91 0.00 0.00 6.46 8.08 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 0.00 128 D 8.10 4.35 0.00 2.87 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 0.00 129 W 8.52 4.56 0.00 3.69 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 0.00 130 V 8.00 3.82 2.15 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 1.02 0.00 0.00 1.09 0.00 0.00 131 S 8.10 4.05 0.00 3.92 3.72 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 0.00 132 H 7.55 4.29 0.00 1.40 1.69 0.00 5.87 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 0.00 133 G 7.73 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 0.00 134 G 7.86 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 D 7.81 4.67 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 0.00 136 K 7.82 4.34 0.00 1.81 1.85 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.36 1.50 7.81 137 L 7.41 4.36 0.00 1.80 1.61 0.66 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 138 D 8.04 4.79 0.00 2.56 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 0.00 139 L 7.82 4.28 0.00 1.72 1.57 0.96 0.91 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 * Residues marked with a * may have inaccurate shift predictions.