NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 H 4.8320 8.4449 116.3449 54.4150 29.8861 173.0470 10 P 4.3532 0.0000 0.0000 61.3994 31.8806 173.8303 11 P 4.0448 0.0000 0.0000 63.0213 32.8304 176.1985 12 K 4.0172 8.6575 123.6834 56.7521 33.3412 175.8321 13 V 5.3761 8.2703 123.8125 60.3452 34.4761 173.9719 14 E 4.9852 8.2310 125.7278 54.7584 34.0548 174.0870 15 Y 5.1245 8.4070 118.6626 56.3094 42.0401 175.2108 16 F 4.8964 9.4901 120.8623 54.8426 42.2222 173.8572 17 D 4.9868 9.2369 125.9829 52.6893 41.0324 176.8090 18 L 3.9326 8.5793 127.6091 57.4836 41.6431 179.2412 19 R 4.0808 8.1945 116.8963 58.3120 30.5132 176.9420 20 D 4.4351 8.6022 115.7292 54.6162 42.1650 175.2907 21 H 4.2791 7.8909 115.8654 57.8546 26.8503 173.7657 22 T 5.1029 7.5918 107.6942 59.8880 72.9690 173.4086 23 N 5.2432 8.7699 122.0807 52.3418 41.4043 173.5186 24 T 4.8992 8.6727 124.4144 62.4411 70.0092 175.0555 25 D 4.7901 9.2419 127.8389 51.6624 40.9657 175.3469 26 P 4.9716 0.0000 0.0000 64.2536 31.2491 177.4918 27 K 3.8584 8.2885 118.7269 56.6541 32.3326 177.3450 28 G 3.9574 8.0599 106.2807 44.7817 0.0000 173.3758 29 F 4.6501 7.9243 119.4300 57.6814 40.0068 174.3759 30 V 4.6410 8.5835 123.6915 60.5657 32.8560 175.3209 31 R 4.6629 8.7279 125.1689 54.0407 32.5019 175.2937 32 H 4.7100 8.9598 123.9516 56.3910 30.8156 174.2185 33 V 4.0112 7.9750 125.0999 61.1520 32.5099 175.3084 34 D 4.5375 8.6093 127.9527 57.3727 41.5439 176.5354 35 H 4.8576 7.8574 116.7102 54.9844 32.8145 172.4033 36 Y 5.0051 8.5371 122.6197 56.2471 41.3301 174.5978 37 R 4.6004 8.7820 122.8469 54.6528 33.5320 173.9386 38 V 4.1709 8.3327 126.0689 61.3146 33.0659 174.5424 39 E 4.4801 8.7153 125.8008 53.3589 32.5680 175.2749 40 P 4.2953 0.0000 0.0000 64.8330 31.4216 177.5312 41 W 4.6729 7.3323 112.5010 55.7026 29.1143 175.2904 42 G 4.2561 6.5822 106.5849 46.5359 0.0000 171.3951 43 L 4.5383 7.7954 121.4525 53.1083 44.5329 175.5397 44 Y 4.0289 8.2104 127.5780 54.7796 41.9628 173.3823 *46 A 4.2990 8.2401 120.6564 51.6650 20.1476 176.0460 47 R 4.5193 7.8009 117.8483 54.6084 33.2183 174.8569 48 T 4.4859 8.0857 110.6807 62.0474 69.5033 173.1213 49 S 4.7278 8.9663 115.9745 56.5020 66.3567 173.6507 50 D 4.8304 8.3840 122.9172 53.1238 39.4201 175.9820 51 H 3.9626 7.5818 120.1284 55.7266 30.0899 174.6503 52 P 3.9751 0.0000 0.0000 64.8153 31.5186 177.1718 53 Q 4.6066 7.7157 116.5257 56.4318 30.3222 175.1942 54 F 5.3522 7.1773 110.4191 55.4949 40.9634 174.2671 55 H 5.0645 8.8854 114.2914 54.8652 30.0620 172.5014 56 Y 5.2832 7.7905 119.5051 56.8570 42.3021 172.9180 57 L 4.9299 8.3962 123.7282 54.4451 44.6137 174.3418 58 E 4.8383 8.5729 118.9148 54.8662 33.4564 175.1724 59 S 5.4324 8.0827 117.0497 56.8808 68.2443 172.6949 60 W 4.9618 9.4259 121.2878 54.9999 32.6128 174.4172 61 L 4.2913 9.0269 125.1957 53.3802 43.2753 175.8151 62 L 5.3895 8.6511 124.5354 51.8985 41.9841 175.2345 63 P 4.4869 0.0000 0.0000 65.6591 31.7218 178.4021 64 D 4.5919 8.1634 115.2828 55.7929 41.0212 176.6548 65 L 4.5667 7.8621 117.5224 53.6804 43.1186 176.7436 66 G 4.2198 8.1404 107.4326 46.2737 0.0000 172.9015 67 L 5.5275 7.9005 117.5872 52.4634 46.0799 175.5442 68 R 4.7743 9.0304 121.8317 54.4163 33.1080 173.7680 69 A 5.4092 9.1666 128.2407 50.5207 21.8731 175.4869 70 S 5.2389 9.3266 117.2515 56.6376 67.7154 173.2030 71 I 4.3034 7.5389 114.9907 58.7973 40.7246 174.1593 72 F 4.6678 7.9056 120.8977 55.7691 42.1578 174.8128 73 H 4.5362 8.5909 119.4984 54.2805 30.1473 173.7455 74 Y 5.0017 8.4082 121.0311 57.5615 39.1303 175.6450 75 H 4.6863 9.3500 119.2522 55.3272 29.6216 174.9987 76 P 4.2943 0.0000 0.0000 66.2802 31.0070 176.7965 77 Y 4.4347 8.3131 113.1463 58.1271 37.9166 175.0864 78 H 4.9714 8.3464 115.9997 55.4211 30.1222 173.5697 79 Q 4.1461 8.1535 118.6623 55.9077 29.0815 175.5346 80 R 4.5825 7.2331 119.5619 53.7606 34.3009 174.5934 81 D 4.5408 8.3966 118.4199 54.7956 41.3423 177.9066 82 Q 4.4050 8.3312 123.5657 56.1059 26.9229 175.0392 83 D 4.8475 8.0348 121.5881 53.7406 43.4534 174.8545 84 H 4.9581 8.8335 118.5042 55.0513 30.7774 173.7768 85 Y 5.0565 8.9839 121.0275 56.2661 40.4921 174.7707 86 V 4.9588 9.0545 124.8978 61.3240 34.2780 173.8690 87 D 5.3086 9.3182 128.3720 53.1861 43.1570 175.4220 88 I 4.9003 8.1934 123.4359 60.1579 39.5287 175.5349 89 G 3.5247 8.4417 111.5792 46.7138 0.0000 171.1131 90 T 4.5654 7.5285 118.1185 61.7153 71.0360 173.5843 91 F 5.0998 8.8429 125.2420 56.0616 41.3598 174.8920 92 T 4.4812 9.1059 121.5624 61.6192 70.3318 174.9570 93 R 2.5100 8.1013 125.3247 55.7239 30.8699 176.0406 94 G 4.5348 6.9101 107.9146 44.0440 0.0000 172.9126 95 D 4.5382 8.7393 119.9158 56.6049 41.2393 177.3031 96 D 4.9934 8.0881 116.6122 54.2489 44.7092 176.4694 97 V 5.0066 7.6551 118.2262 61.3732 34.8501 174.5834 98 W 5.3712 9.4543 128.3334 55.7535 31.5540 175.2864 99 K 5.3987 9.1687 119.6229 55.4651 35.9329 175.3106 100 S 5.0253 9.1573 116.4373 56.5080 66.4777 172.4488 101 E 4.8487 8.4564 122.8597 54.3733 32.1668 174.0146 102 D 4.6428 8.8751 128.1055 53.6749 42.2213 175.8376 103 H 4.8328 8.8312 123.5190 56.1578 29.1041 174.2748 104 Y 4.3017 8.3816 120.6253 58.1938 37.1913 170.4821 105 L 4.6906 7.7051 118.5665 55.2362 43.1384 175.8888 106 D 5.2705 8.8712 119.7626 52.4054 43.2382 173.9827 107 L 5.3471 9.3435 119.6363 53.0277 45.8101 175.6063 108 V 4.4285 8.5086 120.9033 61.1401 34.3717 174.2661 109 V 4.5691 8.8169 128.7968 61.4571 33.6172 174.7467 110 R 4.8340 8.5551 127.8960 53.8311 30.7754 175.9479 111 T 4.1855 8.4314 120.9352 65.2182 68.8264 175.3397 112 G 4.2579 9.0870 114.4229 45.9286 0.0000 173.1273 113 R 4.3807 7.8225 115.6761 56.0028 32.8659 175.4812 114 D 4.3318 7.0856 113.6858 53.2019 42.7633 173.4515 115 T 5.1088 8.3636 114.4614 61.7636 72.1726 173.2780 116 E 4.6618 9.1239 126.9257 54.2140 32.6177 174.0159 117 L 5.0921 8.5658 128.6377 53.7095 43.5642 175.2617 118 L 4.7680 9.0159 125.8326 53.6027 45.8971 176.5881 119 D 4.9142 8.7507 117.3500 55.3081 38.2210 176.3264 120 V 3.6523 8.1183 121.3705 66.0823 31.4778 176.9381 121 D 4.5177 8.2703 118.8009 56.4609 39.6884 178.3008 122 E 3.8363 8.3145 119.1434 59.0963 29.6865 179.6361 123 L 3.6619 7.7010 117.5843 55.6189 41.6824 178.0199 *125 E 4.0921 8.2721 119.7085 55.5452 31.5389 177.6829 126 A 3.8448 7.7324 121.7672 55.2408 19.0416 179.0966 127 H 4.3720 8.5193 115.4044 59.0974 30.0862 177.4864 128 T 3.8490 7.8693 112.4548 64.8051 67.3027 174.5423 129 T 4.1700 7.6016 109.3381 61.3755 69.0968 175.4596 130 G 3.8965 7.8549 109.8031 45.9862 0.0000 174.8654 131 L 4.2398 7.9033 120.3040 56.4323 42.1472 177.0207 132 L 4.5782 7.4259 117.5410 53.2297 43.1195 174.8425 133 D 4.7340 8.3550 120.8148 52.7404 42.3442 177.5179 134 T 3.8933 8.3760 115.0749 66.6590 68.2689 176.6116 135 A 3.9720 8.0239 122.2359 55.6435 18.3399 179.7415 136 T 3.8128 8.6164 114.2152 66.4703 68.5542 176.9487 137 A 3.9898 8.1943 122.8837 55.1501 18.3779 179.1778 138 E 3.8600 8.8214 118.1877 59.5292 29.6355 178.7547 139 Q 3.9525 8.3915 119.5005 59.1573 29.0948 178.0421 140 A 4.0812 8.3841 122.0869 55.3474 18.3376 179.7312 141 I 3.6934 7.8757 118.0939 64.6961 37.2802 178.8354 142 L 4.1233 8.1069 121.0811 57.2026 41.3615 179.7925 143 T 3.9284 8.3015 116.0356 66.5059 68.3524 176.4883 144 A 4.0512 8.2061 122.9309 55.5257 18.1439 179.8763 145 T 3.8424 8.2737 108.6238 65.0597 68.8313 177.0073 146 T 3.8547 7.9405 118.3870 66.3328 68.4285 176.4976 147 A 3.0184 7.9772 122.6013 54.9254 18.4185 179.7107 148 I 3.5072 7.8647 118.7344 64.3411 37.0629 178.1924 149 D 4.2127 8.1418 119.1461 57.2832 40.8938 178.5366 150 G 2.3256 7.0342 104.6609 47.2752 0.0000 175.3865 151 I 3.7962 7.2213 122.3564 64.1032 36.9263 178.4803 152 A 3.5239 7.6736 120.0407 54.7362 18.2565 178.9903 153 A 4.0839 7.8928 117.4526 53.5846 18.7517 177.2837 154 H 4.7940 7.9462 115.7694 55.3000 29.8632 174.2447 155 G 4.2329 8.2844 102.6877 47.5317 0.0000 173.7349 156 H 4.3071 8.0517 111.6070 56.4102 26.3642 175.6884 157 D 4.8514 7.7098 116.8664 51.4368 43.9616 174.2337 158 L 4.2158 8.5774 129.3445 58.3237 42.2044 178.7491 159 G 3.6089 8.1515 105.0427 47.9329 0.0000 175.6660 160 R 3.8544 8.5558 120.6001 58.5363 29.9329 178.7317 161 W 3.9263 8.0688 128.1371 60.6200 30.4582 177.9575 162 L 3.0813 7.5937 116.9922 57.3790 41.2321 179.0919 163 A 3.7678 7.8850 121.0916 54.9951 18.0722 179.8634 164 S 4.0838 7.7061 111.8928 60.5158 63.0233 175.7044 165 I 4.2347 6.8047 114.4890 59.4702 38.8817 174.4760 166 G 3.1213 7.1652 110.4757 45.1083 0.0000 170.3482 *168 P 3.6039 0.0000 0.0000 62.4747 32.7087 177.2077 169 I 3.2676 7.3798 115.0921 59.0097 39.5066 174.5650 170 D 4.5111 7.7450 119.8737 52.7504 44.6903 175.0720 171 W 5.1024 8.3322 122.2198 54.7650 31.5680 176.4385 172 R 3.9605 9.5413 120.2923 57.3434 29.7679 176.7615 173 G 4.4443 8.4043 110.7155 46.1052 0.0000 172.8504 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 9 H 8.44 4.83 0.00 3.29 3.46 0.00 5.70 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 P 0.00 4.35 0.00 2.19 2.08 0.00 3.78 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.22 0.00 11 P 0.00 4.04 0.00 1.90 2.15 0.00 3.75 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 2.10 2.27 0.00 12 K 8.66 4.02 0.00 1.63 1.69 0.00 1.50 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.33 7.81 13 V 8.27 5.38 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 0.80 0.00 0.00 0.85 0.00 0.00 14 E 8.23 4.99 0.00 1.91 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 2.22 2.24 0.00 15 Y 8.41 5.12 0.00 2.83 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 16 F 9.49 4.90 0.00 2.83 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 17 D 9.24 4.99 0.00 2.75 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 18 L 8.58 3.93 0.00 1.58 1.61 0.90 -0.18 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 19 R 8.19 4.08 0.00 1.92 1.98 0.00 3.20 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 20 D 8.60 4.44 0.00 2.96 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 21 H 7.89 4.28 0.00 3.44 3.43 0.00 5.61 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 T 7.59 5.10 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 1.31 0.00 0.00 23 N 8.77 5.24 0.00 2.92 2.68 0.00 0.00 7.29 6.71 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 24 T 8.67 4.90 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 1.29 0.00 0.00 25 D 9.24 4.79 0.00 2.88 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 26 P 0.00 4.97 0.00 2.02 2.11 0.00 3.75 0.00 0.00 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.14 0.00 27 K 8.29 3.86 0.00 1.27 0.93 0.00 1.04 0.00 0.00 0.61 0.00 0.00 3.03 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.81 1.00 7.81 28 G 8.06 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 0.00 0.00 0.00 29 F 7.92 4.65 0.00 3.28 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 30 V 8.58 4.64 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 0.76 0.00 0.00 0.96 0.00 0.00 31 R 8.73 4.66 0.00 1.74 1.83 0.00 3.17 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 32 H 8.96 4.71 0.00 3.12 3.21 0.00 5.88 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 33 V 7.97 4.01 1.63 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 -0.14 0.00 0.00 0.70 0.00 0.00 34 D 8.61 4.54 0.00 2.81 2.77 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 0.00 0.00 0.00 35 H 7.86 4.86 0.00 3.14 3.16 0.00 5.73 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 Y 8.54 5.01 0.00 2.87 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 37 R 8.78 4.60 0.00 1.70 1.56 0.00 3.05 0.00 0.00 3.01 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.48 0.00 38 V 8.33 4.17 2.03 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 1.00 0.00 0.00 0.79 0.00 0.00 39 E 8.72 4.48 0.00 1.16 1.12 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 2.01 2.09 0.00 40 P 0.00 4.30 0.00 2.21 2.18 0.00 3.12 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 2.09 2.06 0.00 41 W 7.33 4.67 0.00 3.27 3.25 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 42 G 6.58 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 0.00 0.00 0.00 0.00 43 L 7.80 4.54 0.00 0.27 0.33 0.14 -0.36 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 44 Y 8.21 4.03 0.00 1.43 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 0.00 0.00 0.00 *46 A 8.24 4.30 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 47 R 7.80 4.52 0.00 1.77 1.64 0.00 2.67 0.00 0.00 3.08 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.34 0.00 48 T 8.09 4.49 4.32 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 1.40 0.00 0.00 49 S 8.97 4.73 0.00 4.06 3.91 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 50 D 8.38 4.83 0.00 2.71 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 51 H 7.58 3.96 0.00 2.39 1.86 0.00 5.60 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 52 P 0.00 3.98 0.00 1.95 2.01 0.00 2.87 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.95 0.00 53 Q 7.72 4.61 0.00 2.30 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.70 0.00 0.00 0.00 0.00 0.00 2.40 2.56 0.00 54 F 7.18 5.35 0.00 2.95 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 55 H 8.89 5.06 0.00 3.35 3.52 0.00 5.75 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 56 Y 7.79 5.28 0.00 2.98 2.69 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 57 L 8.40 4.93 0.00 1.36 1.55 0.74 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.57 4.84 0.00 1.92 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 2.42 2.44 0.00 59 S 8.08 5.43 0.00 3.58 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 60 W 9.43 4.96 0.00 3.17 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 61 L 9.03 4.29 0.00 1.39 1.39 0.21 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.65 5.39 0.00 1.59 1.59 0.84 1.02 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 63 P 0.00 4.49 0.00 2.22 2.36 0.00 3.99 0.00 0.00 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.37 0.00 64 D 8.16 4.59 0.00 2.72 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 65 L 7.86 4.57 0.00 1.71 1.84 0.59 0.95 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 66 G 8.14 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 67 L 7.90 5.53 0.00 1.60 1.60 1.23 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 68 R 9.03 4.77 0.00 1.19 1.78 0.00 3.21 0.00 0.00 3.38 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.47 0.00 69 A 9.17 5.41 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.33 5.24 0.00 3.58 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 71 I 7.54 4.30 1.19 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.21 0.27 -0.24 0.00 0.00 72 F 7.91 4.67 0.00 1.87 1.71 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 73 H 8.59 4.54 0.00 3.09 3.17 0.00 5.61 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 Y 8.41 5.00 0.00 3.03 3.16 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 H 9.35 4.69 0.00 3.24 3.36 0.00 5.63 0.00 0.00 0.00 0.00 6.54 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 4.29 0.00 2.38 2.31 0.00 3.97 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 2.25 2.15 0.00 77 Y 8.31 4.43 0.00 2.91 2.99 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 78 H 8.35 4.97 0.00 3.47 3.54 0.00 5.85 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 79 Q 8.15 4.15 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.08 6.79 0.00 0.00 0.00 0.00 0.00 2.54 2.40 0.00 80 R 7.23 4.58 0.00 1.09 1.62 0.00 3.08 0.00 0.00 2.89 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.21 0.00 81 D 8.40 4.54 0.00 2.79 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 82 Q 8.33 4.40 0.00 2.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.01 0.00 0.00 0.00 0.00 0.00 2.14 2.20 0.00 83 D 8.03 4.85 0.00 2.65 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 84 H 8.83 4.96 0.00 3.20 3.35 0.00 5.77 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 Y 8.98 5.06 0.00 3.11 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 86 V 9.05 4.96 2.21 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 D 8.74 4.54 0.00 2.69 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 96 D 8.09 4.99 0.00 2.58 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.66 5.01 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 1.21 0.00 0.00 0.96 0.00 0.00 98 W 9.45 5.37 0.00 3.30 3.22 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 99 K 9.17 5.40 0.00 1.51 1.58 0.00 1.26 0.00 0.00 1.99 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.35 7.81 100 S 9.16 5.03 0.00 3.70 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 0.00 101 E 8.46 4.85 0.00 1.86 1.60 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 2.08 2.12 0.00 102 D 8.88 4.64 0.00 2.60 2.37 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 0.00 103 H 8.83 4.83 0.00 3.15 3.33 0.00 5.76 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 0.00 104 Y 8.38 4.30 0.00 3.22 3.28 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 0.00 105 L 7.71 4.69 0.00 1.72 1.69 1.01 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 106 D 8.87 5.27 0.00 2.93 2.95 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 0.00 107 L 9.34 5.35 0.00 1.59 1.59 0.97 0.87 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 0.00 108 V 8.51 4.43 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 0.57 0.00 0.00 0.88 0.00 0.00 109 V 8.82 4.57 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 0.98 0.00 0.00 0.96 0.00 0.00 110 R 8.56 4.83 0.00 1.96 1.87 0.00 3.19 0.00 0.00 3.25 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.39 0.00 111 T 8.43 4.19 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 0.00 112 G 9.09 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 0.00 0.00 0.00 0.00 113 R 7.82 4.38 0.00 1.83 1.85 0.00 3.19 0.00 0.00 3.27 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.51 0.00 114 D 7.09 4.33 0.00 2.66 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 0.00 115 T 8.36 5.11 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 0.00 116 E 9.12 4.66 0.00 2.00 1.75 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 2.20 2.22 0.00 117 L 8.57 5.09 0.00 1.69 1.57 1.02 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 118 L 9.02 4.77 0.00 1.82 1.58 1.07 1.03 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 0.00 119 D 8.75 4.91 0.00 3.18 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 1.24 0.00 0.00 129 T 7.60 4.17 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 1.24 0.00 0.00 130 G 7.85 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 0.00 131 L 7.90 4.24 0.00 1.73 1.83 0.98 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 132 L 7.43 4.58 0.00 1.84 1.75 1.02 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 133 D 8.36 4.73 0.00 2.98 2.87 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 0.00 134 T 8.38 3.89 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 1.21 0.00 0.00 135 A 8.02 3.97 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 0.00 136 T 8.62 3.81 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 0.98 0.00 0.00 137 A 8.19 3.99 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 0.00 138 E 8.82 3.86 0.00 2.20 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 2.32 2.32 0.00 139 Q 8.39 3.95 0.00 2.25 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 140 A 8.38 4.08 1.47 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 0.00 0.00 141 I 7.88 3.69 2.01 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 1.54 0.72 0.92 0.00 0.00 142 L 8.11 4.12 0.00 1.77 1.75 0.95 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 143 T 8.30 3.93 4.56 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 1.47 0.00 0.00 144 A 8.21 4.05 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 0.00 145 T 8.27 3.84 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 1.24 0.00 0.00 146 T 7.94 3.85 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 1.37 0.00 0.00 147 A 7.98 3.02 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 0.00 0.00 0.00 0.00 0.00 0.00 148 I 7.86 3.51 1.79 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 1.37 0.65 0.85 0.00 0.00 149 D 8.14 4.21 0.00 2.69 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 0.00 150 G 7.03 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 0.00 0.00 0.00 151 I 7.22 3.80 1.75 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 1.52 0.37 0.90 0.00 0.00 152 A 7.67 3.52 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 0.00 153 A 7.89 4.08 1.22 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 0.00 154 H 7.95 4.79 0.00 3.31 3.32 0.00 5.94 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 G 8.28 4.23 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 0.00 156 H 8.05 4.31 0.00 3.32 3.32 0.00 5.56 0.00 0.00 0.00 0.00 8.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 D 7.71 4.85 0.00 2.53 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 0.00 158 L 8.58 4.22 0.00 1.88 1.65 1.22 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 159 G 8.15 3.61 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 0.00 0.00 0.00 160 R 8.56 3.85 0.00 1.88 2.02 0.00 3.29 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.80 0.00 161 W 8.07 3.93 0.00 3.46 3.38 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 0.00 162 L 7.59 3.08 0.00 1.27 1.16 0.72 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 163 A 7.89 3.77 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 0.00 164 S 7.71 4.08 0.00 4.03 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 0.00 165 I 6.80 4.23 1.67 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.22 0.85 0.00 0.00 166 G 7.17 3.12 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 0.00 0.00 0.00 0.00 *168 P 0.00 3.60 0.00 1.89 1.74 0.00 2.20 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.48 0.00 169 I 7.38 3.27 0.56 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.22 -0.18 0.00 0.00 170 D 7.75 4.51 0.00 2.62 2.52 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 0.00 171 W 8.33 5.10 0.00 3.37 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 0.00 172 R 9.54 3.96 0.00 1.95 2.12 0.00 3.46 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.62 0.00 173 G 8.40 4.44 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.