NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 20 P 4.6341 0.0000 0.0000 62.7588 32.7591 175.2282 21 I 4.3363 8.2832 123.8713 58.9822 38.8695 174.1335 22 A 4.1133 8.7121 129.0636 51.6143 19.6310 176.6036 23 E 4.1341 8.7083 123.4872 57.5888 30.7094 175.0373 24 E 4.4369 9.0662 123.2367 57.0762 28.2085 177.1504 25 L 3.8930 7.7277 118.8134 58.0918 42.2368 178.3023 26 L 3.8981 7.9389 118.9157 58.2538 41.2119 179.7402 27 A 3.9827 7.9183 119.6813 54.9781 18.1681 179.5049 28 R 3.6517 7.6285 116.2022 59.5972 30.2511 178.6796 29 V 3.8968 7.7232 117.1276 65.0699 31.7930 177.0245 30 L 4.7203 7.9158 116.9822 54.5776 41.7632 177.7467 31 E 3.9135 7.6286 122.5676 59.0389 29.2404 177.0422 32 P 4.0827 0.0000 0.0000 65.4928 31.5087 177.3699 33 Y 4.3446 7.6918 114.4266 60.1559 38.3204 177.8331 34 S 4.2184 8.2566 116.5037 61.6052 62.7219 176.1563 35 C 4.6452 7.7695 112.1818 59.0309 29.1463 174.0055 36 K 4.4461 7.3681 117.2194 55.4038 33.9429 176.8689 37 G 3.9677 8.4728 106.9093 46.4138 0.0000 173.9057 38 C 4.5764 8.0384 114.7168 58.9141 28.5355 173.8194 39 R 3.8726 7.9172 120.9509 56.5075 30.2018 175.4081 40 Y 5.2822 8.1158 121.1891 57.3920 41.5463 175.1857 41 L 3.9657 8.0517 121.6118 55.1640 42.0555 176.7677 42 I 4.0979 8.9571 129.5695 63.8767 37.7062 176.0434 43 D 4.7398 7.4249 118.7980 52.3601 42.5398 173.7311 44 A 5.1903 8.3276 120.2373 50.7808 23.4029 174.8124 45 Q 5.0914 9.2389 117.2483 54.4977 33.4784 173.9592 46 Y 5.4855 8.7123 118.8410 55.5690 41.9475 174.1401 47 S 4.1966 9.4222 113.5397 56.4399 66.1162 172.4695 48 A 5.2697 8.3008 126.2792 50.7002 22.4812 175.2808 49 T 4.6327 8.6134 108.9804 60.0451 71.8902 173.3965 50 E 4.4968 8.9782 119.8195 58.9067 29.7379 178.3975 51 D 4.7720 7.8358 115.8562 53.3613 41.2602 175.2827 52 S 4.9866 8.0607 113.6119 57.7878 67.7570 173.0877 53 V 4.8287 8.5578 121.9294 61.0777 35.3395 174.0013 54 L 5.3281 9.2534 127.2487 53.4932 45.5252 174.9789 55 A 5.3456 9.0913 126.6502 50.8160 23.5569 174.0807 56 Y 5.1079 9.1196 115.7492 56.3715 42.3867 175.2057 57 G 4.1869 8.9230 109.0282 44.4984 0.0000 170.8866 58 N 5.3567 8.7363 118.3560 51.1819 42.0051 173.9472 59 F 5.1989 8.6844 119.9465 56.1513 43.7946 173.6858 60 T 5.1146 8.9813 115.5268 60.7344 71.2255 172.5056 61 I 4.2911 8.6005 129.1951 59.4820 38.6114 176.0914 62 G 3.6866 9.1362 117.1939 46.7975 0.0000 172.4461 63 E 4.9699 7.3088 120.4892 56.0991 31.9000 175.6846 64 S 4.4746 8.2352 118.5742 57.3336 63.8770 174.9213 65 A 4.1992 8.8321 127.9049 54.4148 18.3991 177.6042 66 Y 4.7389 7.3702 110.7120 56.7900 39.3972 175.2924 67 I 4.3681 6.7815 119.3140 59.0284 40.3469 173.2574 68 R 3.3089 7.5923 118.4911 58.1385 29.4261 175.9087 69 S 4.8824 7.2231 118.2074 57.4876 65.1246 177.3259 70 T 4.0715 8.5244 118.4627 61.4014 69.3191 175.3617 71 G 3.9177 8.3977 109.6726 46.1500 0.0000 172.5140 72 H 4.6182 7.4377 114.1523 54.5523 31.0222 172.7101 73 F 4.2356 8.6566 120.8784 60.5381 39.5373 171.1218 74 N 4.2719 8.2021 123.4844 52.7447 38.5282 175.3965 75 A 3.8133 8.0321 124.5439 54.9840 18.4990 179.3365 76 V 3.3752 7.6853 116.3395 66.5922 31.3115 177.9642 77 E 3.9545 7.7620 117.7336 58.4940 29.0876 178.8629 78 L 3.5613 6.7886 120.8279 58.1364 42.1453 178.9786 79 I 3.8357 7.6978 118.9792 64.6186 37.1308 178.2223 80 L 4.1156 7.8261 119.1416 58.1202 41.4223 179.5216 81 C 4.3845 8.3163 116.7214 62.5533 28.0599 175.6410 82 F 4.2893 8.8859 122.7528 61.5866 38.9309 176.8975 83 N 3.9999 8.9966 116.1231 56.3635 38.3466 177.3430 84 Q 4.0669 8.0275 119.2860 59.0631 28.8281 178.8235 85 L 3.9889 8.1327 121.0572 57.9785 42.1199 178.9332 86 A 3.9937 7.9526 120.8606 55.3536 18.0907 179.1752 87 Y 4.5427 7.7685 115.4438 61.0246 38.4273 178.8383 88 S 4.3345 8.5899 115.9419 61.5647 61.7703 176.6607 89 A 4.0155 8.3560 123.6143 54.9511 18.1751 179.4241 90 F 3.9502 8.3976 114.9827 59.4055 38.9997 177.7979 91 A 3.2703 7.3773 120.3518 54.4890 18.1918 177.9410 92 P 4.0301 0.0000 0.0000 65.3199 31.3322 178.4062 93 A 3.9622 6.8073 118.1061 55.0925 18.4068 179.7723 94 V 3.5756 8.0710 117.1273 65.9789 31.4020 177.8008 95 L 3.9635 8.1087 119.3063 58.0304 42.0073 177.9057 96 N 4.6803 8.1418 112.7762 51.9705 39.4144 174.5728 97 E 3.8353 7.8033 118.5633 57.6342 27.5932 175.1391 98 E 4.2796 8.6079 118.7767 57.1551 30.9033 176.5490 99 I 4.5777 7.5294 120.4023 59.4798 38.1868 175.7080 100 R 3.8798 8.5924 127.2539 59.5610 29.9113 179.0224 101 V 3.6873 7.7844 115.1275 63.7413 31.5890 176.4182 102 L 4.2647 7.7265 119.5295 54.2199 42.2176 176.4636 103 R 4.2234 7.5687 119.1457 57.2805 30.2797 176.7200 104 G 4.2069 8.8859 108.8767 45.7026 0.0000 173.4300 105 W 5.1805 8.0210 120.2164 54.9135 31.3312 176.7032 106 S 4.6613 9.4439 119.2422 57.2965 65.6491 174.9057 107 I 3.7461 8.2135 119.9920 64.2021 37.4487 177.3004 108 D 4.2762 8.0659 119.4079 57.4359 40.5077 178.1144 109 D 4.0188 7.4424 117.2632 57.4985 40.9655 177.9462 110 Y 3.4302 7.4958 119.5190 60.9684 38.9063 177.9848 111 C 4.1215 8.4300 118.9963 62.3619 28.0360 176.2991 112 Q 3.9066 7.9989 118.7242 58.5294 28.5009 177.7209 113 H 4.6243 7.7982 116.1625 56.2598 29.3863 176.9796 114 Q 3.9222 7.0578 119.8453 59.0885 28.2714 179.6823 115 L 4.0898 7.5064 117.7846 57.7917 42.0452 178.9046 116 S 4.3147 7.9394 110.9572 60.3429 63.5746 174.5613 117 S 4.7381 8.3952 114.6617 58.0362 64.9643 173.3070 118 M 5.0664 8.1665 119.7659 53.6714 33.8072 174.9331 119 L 4.8336 9.0503 123.8571 52.7409 46.1975 176.0797 120 I 4.3247 8.1548 122.1062 60.6396 37.2961 176.0636 121 R 4.2063 8.8506 127.9477 58.5482 30.5504 177.3661 122 K 4.7712 7.7809 115.6651 55.6123 36.2070 174.8497 123 A 5.0180 8.2691 121.7197 50.7390 22.6204 175.4232 124 S 4.6780 9.5851 115.7327 56.6019 65.5363 173.1033 125 S 5.1737 8.7236 121.6008 56.8225 66.8365 173.2939 126 R 4.6965 8.5240 121.7960 54.7229 33.7776 173.6985 127 F 5.0519 8.8912 123.3293 55.0240 41.7042 174.3401 128 R 4.6897 8.6096 123.0831 55.3076 32.1113 178.5055 129 K 3.8544 8.9267 130.2568 57.3557 32.6610 174.0243 130 P 4.4422 0.0000 0.0000 62.8917 32.0947 175.3354 131 L 4.2714 7.8447 119.2791 52.9835 43.1396 176.7610 132 N 4.4488 8.9763 121.3165 52.6974 38.0750 173.8134 133 P 4.1910 0.0000 0.0000 65.4282 31.5403 178.5672 134 Q 4.0427 7.9914 119.5547 58.3467 29.1244 175.5548 135 K 4.6096 8.2379 117.4740 56.2371 34.4705 174.3441 136 F 5.0448 8.6259 121.9377 56.1696 41.9458 172.9117 137 S 5.2402 8.9540 114.8049 56.8379 67.5200 172.8573 138 A 4.6240 8.4430 121.0753 50.3463 23.1120 175.1108 139 R 4.5611 8.7737 119.7152 54.3320 32.9489 174.0064 140 L 5.3153 8.8845 128.9200 53.1955 44.9755 174.7116 141 L 5.2106 9.2539 127.5588 53.5475 45.8497 174.1069 142 C 5.6294 9.1487 123.1179 55.4292 41.7199 173.3840 143 R 4.9408 8.5411 120.8647 54.3060 35.0660 174.2425 144 D 4.4053 8.7528 116.7167 55.1823 38.4001 174.5927 145 L 4.5398 7.1604 114.4201 55.5847 42.5853 177.9468 146 Q 4.5958 8.4719 117.7964 55.1603 32.0423 173.8611 147 V 3.6927 8.3162 121.4865 64.8514 32.5852 174.2771 148 I 4.2474 8.3467 126.5606 61.7040 43.9798 175.7020 *152 W 4.7713 8.4843 121.7881 57.0634 30.9691 174.5831 153 R 4.8384 8.6537 120.9526 55.0526 30.9227 175.0964 154 Y 5.2024 8.0875 122.3659 53.6881 42.1750 173.4719 155 L 4.0516 8.7239 123.6840 55.5900 43.0957 175.4035 156 K 4.7448 8.6113 128.3029 56.4281 33.7517 176.1113 157 V 4.3695 8.7075 126.7343 60.7229 33.7037 171.2734 158 P 4.8385 0.0000 0.0000 62.3428 32.6406 175.9445 159 C 5.7570 9.5847 121.4234 55.1466 42.5608 173.3491 160 V 5.0591 9.2788 120.8588 60.1218 34.4697 174.3455 161 I 5.7371 9.5272 123.5082 58.7363 42.4016 173.5412 162 E 5.2513 8.3649 124.6038 55.0587 33.5934 174.6623 163 F 4.8665 9.6485 123.9526 56.8141 41.4082 175.5165 164 W 5.4924 8.0881 116.9528 56.3781 31.3605 173.2029 165 D 4.8703 9.1267 120.7449 54.2618 38.7125 177.7116 *167 N 4.5537 9.3463 111.1128 52.9242 40.5529 173.9256 168 G 4.0276 8.5165 118.7442 47.8390 0.0000 173.7119 169 G 4.1178 10.6396 109.6210 45.4995 0.0000 171.5088 170 A 4.8952 8.3913 121.1025 52.0374 22.8962 174.6643 171 A 4.8873 8.3473 119.5650 51.5771 22.9632 175.1362 172 S 4.9550 8.2598 112.4888 58.2775 66.7868 174.2707 173 G 4.4195 8.6909 105.9271 47.6642 0.0000 171.0175 174 E 3.9683 8.5990 119.5524 56.3336 25.6114 172.6575 175 I 4.8481 8.4523 120.5446 59.2063 41.9950 173.9440 176 E 5.0153 9.1691 128.2353 54.6686 31.4720 174.8356 177 L 5.1489 8.9571 126.9559 53.2652 44.9624 175.2468 178 A 5.1279 9.1368 123.0100 50.2495 21.6421 175.1242 179 A 5.0015 9.2228 125.8954 50.8395 19.8636 177.7504 180 L 4.1371 9.3417 124.1630 58.4115 42.5967 178.5521 181 N 4.6755 8.7088 116.8007 52.4078 36.7604 176.6752 182 I 2.5651 9.3286 117.9904 60.8227 38.4353 171.8809 183 P 4.0969 0.0000 0.0000 62.7195 31.3482 175.9311 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 P 0.00 4.63 0.00 2.09 2.13 0.00 3.48 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.12 0.00 21 I 8.28 4.34 1.86 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.83 0.84 0.00 0.00 22 A 8.71 4.11 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 23 E 8.71 4.13 0.00 1.90 1.87 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 2.28 2.40 0.00 24 E 9.07 4.44 0.00 2.21 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 2.25 2.26 0.00 25 L 7.73 3.89 0.00 1.76 1.68 0.83 0.62 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 26 L 7.94 3.90 0.00 1.75 1.72 0.90 0.65 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 27 A 7.92 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 28 R 7.63 3.65 0.00 1.81 2.04 0.00 3.25 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 29 V 7.72 3.90 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 1.01 0.00 0.00 1.03 0.00 0.00 30 L 7.92 4.72 0.00 1.83 1.75 0.93 1.14 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 31 E 7.63 3.91 0.00 2.04 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 2.26 2.46 0.00 32 P 0.00 4.08 0.00 1.47 1.76 0.00 3.58 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.98 0.00 33 Y 7.69 4.34 0.00 3.06 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 34 S 8.26 4.22 0.00 4.00 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 35 C 7.77 4.65 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 36 K 7.37 4.45 0.00 1.96 1.84 0.00 1.86 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.31 1.32 7.81 37 G 8.47 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 0.00 0.00 0.00 38 C 8.04 4.58 0.00 2.97 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 R 7.92 3.87 0.00 1.77 1.84 0.00 3.18 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 40 Y 8.12 5.28 0.00 3.19 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 41 L 8.05 3.97 0.00 1.60 1.51 -0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 42 I 8.96 4.10 1.85 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.61 0.85 0.00 0.00 43 D 7.42 4.74 0.00 2.62 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 44 A 8.33 5.19 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 45 Q 9.24 5.09 0.00 2.08 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.59 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 46 Y 8.71 5.49 0.00 3.00 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 47 S 9.42 4.20 0.00 3.67 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 48 A 8.30 5.27 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 49 T 8.61 4.63 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 1.20 0.00 0.00 50 E 8.98 4.50 0.00 2.07 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 2.38 2.42 0.00 51 D 7.84 4.77 0.00 2.64 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 52 S 8.06 4.99 0.00 3.75 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 53 V 8.56 4.83 1.72 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 0.78 0.00 0.00 0.20 0.00 0.00 54 L 9.25 5.33 0.00 1.68 1.42 0.86 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 55 A 9.09 5.35 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 56 Y 9.12 5.11 0.00 2.95 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 57 G 8.92 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 0.00 0.00 0.00 0.00 58 N 8.74 5.36 0.00 2.58 2.54 0.00 0.00 7.00 8.17 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 59 F 8.68 5.20 0.00 1.51 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 0.00 0.00 0.00 60 T 8.98 5.11 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 1.28 0.00 0.00 61 I 8.60 4.29 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.16 0.92 0.57 0.00 0.00 62 G 9.14 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 63 E 7.31 4.97 0.00 1.97 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 2.01 2.05 0.00 64 S 8.24 4.47 0.00 3.76 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 65 A 8.83 4.20 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 66 Y 7.37 4.74 0.00 3.10 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 67 I 6.78 4.37 1.50 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 1.32 0.63 0.06 0.00 0.00 68 R 7.59 3.31 0.00 1.89 1.89 0.00 3.15 0.00 0.00 3.12 7.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 69 S 7.22 4.88 0.00 3.78 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 70 T 8.52 4.07 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 1.10 0.00 0.00 71 G 8.40 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 0.00 0.00 0.00 72 H 7.44 4.62 0.00 3.19 3.28 0.00 5.58 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 73 F 8.66 4.24 0.00 2.73 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 74 N 8.20 4.27 0.00 2.97 2.81 0.00 0.00 6.82 7.54 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 75 A 8.03 3.81 0.92 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 0.00 0.00 76 V 7.69 3.38 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 0.60 0.00 0.00 0.61 0.00 0.00 77 E 7.76 3.95 0.00 1.61 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 2.22 2.29 0.00 78 L 6.79 3.56 0.00 1.74 1.91 0.60 0.99 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 79 I 7.70 3.84 2.02 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 1.83 0.82 1.04 0.00 0.00 80 L 7.83 4.12 0.00 2.05 1.92 1.03 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 81 C 8.32 4.38 0.00 3.28 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 82 F 8.89 4.29 0.00 3.30 3.44 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 83 N 9.00 4.00 0.00 3.00 2.99 0.00 0.00 7.10 8.14 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 84 Q 8.03 4.07 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.81 0.00 0.00 0.00 0.00 0.00 1.61 1.81 0.00 85 L 8.13 3.99 0.00 2.18 1.96 0.92 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 86 A 7.95 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 Y 7.77 4.54 0.00 3.21 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 88 S 8.59 4.33 0.00 4.10 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 89 A 8.36 4.02 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 90 F 8.40 3.95 0.00 3.35 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 91 A 7.38 3.27 1.31 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 92 P 0.00 4.03 0.00 1.74 2.06 0.00 3.53 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 1.40 0.00 93 A 6.81 3.96 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 94 V 8.07 3.58 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 1.26 0.00 0.00 0.98 0.00 0.00 95 L 8.11 3.96 0.00 1.62 1.79 0.92 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 96 N 8.14 4.68 0.00 3.05 2.89 0.00 0.00 7.10 8.22 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 97 E 7.80 3.84 0.00 2.19 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 2.30 2.30 0.00 98 E 8.61 4.28 0.00 2.06 2.02 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 2.31 2.31 0.00 99 I 7.53 4.58 1.97 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 1.35 1.21 1.02 0.00 0.00 100 R 8.59 3.88 0.00 1.86 1.95 0.00 3.10 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 101 V 7.78 3.69 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 0.78 0.00 0.00 0.83 0.00 0.00 102 L 7.73 4.26 0.00 1.82 1.82 1.18 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 103 R 7.57 4.22 0.00 1.94 1.90 0.00 3.29 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.61 0.00 104 G 8.89 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 0.00 0.00 0.00 0.00 105 W 8.02 5.18 0.00 3.57 3.13 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 0.00 114 Q 7.06 3.92 0.00 2.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.84 0.00 0.00 0.00 0.00 0.00 1.93 2.00 0.00 115 L 7.51 4.09 0.00 1.55 1.64 0.77 0.60 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 0.00 116 S 7.94 4.31 0.00 3.99 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 0.00 117 S 8.40 4.74 0.00 3.99 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 0.00 118 M 8.17 5.07 0.00 1.78 2.23 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.60 0.00 119 L 9.05 4.83 0.00 1.39 1.42 0.68 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 120 I 8.15 4.32 1.86 0.00 0.00 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 1.43 0.57 0.87 0.00 0.00 121 R 8.85 4.21 0.00 1.72 1.89 0.00 2.79 0.00 0.00 3.42 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.53 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2.02 0.00 3.72 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 2.01 2.14 0.00 131 L 7.84 4.27 0.00 0.54 0.61 0.78 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 132 N 8.98 4.45 0.00 2.90 2.95 0.00 0.00 6.97 8.52 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 0.00 133 P 0.00 4.19 0.00 2.30 2.35 0.00 3.75 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 2.10 1.97 0.00 134 Q 7.99 4.04 0.00 2.16 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.76 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 135 K 8.24 4.61 0.00 1.83 1.74 0.00 1.80 0.00 0.00 1.79 0.00 0.00 3.06 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.39 1.48 7.81 136 F 8.63 5.04 0.00 3.34 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 0.00 137 S 8.95 5.24 0.00 2.72 3.29 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 0.00 138 A 8.44 4.62 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 2.21 2.22 0.00 147 V 8.32 3.69 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 0.69 0.00 0.00 0.85 0.00 0.00 148 I 8.35 4.25 0.61 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.46 0.79 0.00 0.00 *152 W 8.48 4.77 0.00 3.44 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 0.00 153 R 8.65 4.84 0.00 1.80 1.89 0.00 3.17 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 154 Y 8.09 5.20 0.00 3.21 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 0.00 155 L 8.72 4.05 0.00 1.73 1.65 0.94 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 156 K 8.61 4.74 0.00 2.06 1.82 0.00 1.87 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.68 7.81 157 V 8.71 4.37 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 1.07 0.00 0.00 0.96 0.00 0.00 158 P 0.00 4.84 0.00 2.17 1.99 0.00 3.83 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 2.26 2.16 0.00 159 C 9.58 5.76 0.00 3.13 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 0.00 160 V 9.28 5.06 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 0.89 0.00 0.00 0.99 0.00 0.00 161 I 9.53 5.74 2.12 0.00 0.00 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 0.96 1.25 1.10 0.00 0.00 162 E 8.36 5.25 0.00 2.11 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 2.34 2.38 0.00 163 F 9.65 4.87 0.00 2.88 2.92 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 0.00 164 W 8.09 5.49 0.00 3.52 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 0.00 165 D 9.13 4.87 0.00 2.96 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 0.00 0.00 0.00 0.00 *167 N 9.35 4.55 0.00 2.80 2.95 0.00 0.00 6.73 7.65 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 0.00 168 G 8.52 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 0.00 0.00 0.00 169 G 10.64 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 0.00 0.00 0.00 0.00 170 A 8.39 4.90 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 0.00 171 A 8.35 4.89 1.02 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 0.00 0.00 172 S 8.26 4.95 0.00 4.03 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 0.00 173 G 8.69 4.42 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 0.00 174 E 8.60 3.97 0.00 2.18 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 0.00 2.26 2.30 0.00 175 I 8.45 4.85 1.30 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.41 0.71 0.00 0.00 176 E 9.17 5.02 0.00 2.02 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 2.25 2.31 0.00 177 L 8.96 5.15 0.00 1.62 1.62 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 178 A 9.14 5.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 A 9.22 5.00 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 0.00 180 L 9.34 4.14 0.00 1.59 1.91 0.69 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 181 N 8.71 4.68 0.00 2.70 2.50 0.00 0.00 7.00 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 0.00 182 I 9.33 2.57 1.37 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.24 0.60 0.00 0.00 183 P 0.00 4.10 0.00 2.11 1.86 0.00 3.60 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 2.04 2.00 0.00 * Residues marked with a * may have inaccurate shift predictions.