NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.7809 8.3344 116.7503 59.0208 65.0423 172.4433 1 M 4.5863 8.6411 120.3540 54.0230 35.4062 172.5726 2 S 4.8342 9.6890 123.8631 58.6070 64.1470 172.8654 3 L 5.0900 9.1321 123.0864 51.7770 45.0803 174.4363 4 P 4.6435 0.0000 0.0000 63.7385 31.7921 175.5415 5 D 4.2424 9.5793 115.8058 55.6315 38.3488 174.0892 6 G 3.6989 7.6612 100.5205 46.7100 0.0000 173.7728 7 F 5.6342 7.6967 116.4600 55.5559 43.3389 173.8102 8 Y 5.3539 8.6735 117.1774 55.8325 41.9706 173.5826 9 I 5.1667 9.0753 120.5166 59.5895 41.5901 174.2031 10 R 4.9559 8.4945 122.7864 55.0717 33.1826 174.2584 11 R 4.5204 8.5283 118.8478 56.1377 30.7694 176.6429 12 M 4.4855 9.0263 123.1528 56.0937 33.1677 175.1907 13 E 4.9044 9.6622 123.3370 53.6843 33.6340 176.7183 14 E 4.2818 9.1193 119.7698 60.0583 29.2584 179.8765 15 G 3.8289 8.0954 102.4602 46.5895 0.0000 174.1950 16 D 4.6405 8.3335 120.5235 54.6018 40.9488 177.5040 17 L 2.9566 7.3728 122.2672 58.1631 41.9437 178.3562 18 E 3.8046 7.9542 117.9964 59.6084 29.6701 178.8541 19 Q 3.9958 7.9067 117.4176 58.9092 28.8068 178.6849 20 V 3.6433 8.1947 119.7896 66.0411 31.5607 178.2316 21 T 3.8129 8.0230 115.8182 66.7142 68.0926 176.3914 22 E 3.9863 7.7313 118.5459 59.6448 29.7494 179.3419 23 T 4.3124 7.8710 117.0123 66.2517 68.5237 176.8387 24 L 4.1568 8.3454 120.7294 57.1324 41.3946 179.3138 25 K 4.5822 7.6026 118.4200 58.2062 31.9710 179.1200 26 V 3.7671 7.6715 112.4554 63.4127 31.4408 177.7587 27 L 4.2322 7.7285 119.8585 57.5885 42.9103 175.8362 28 T 4.2420 7.2879 109.8459 61.9856 70.3422 171.3491 29 T 4.1673 8.6203 118.0755 64.1644 69.0211 173.7208 30 V 3.9652 8.7473 125.1929 64.1690 32.9784 176.2442 31 G 3.7024 8.0913 104.1845 44.6169 0.0000 171.1904 32 T 4.3246 8.1312 113.6896 60.4588 67.8643 174.4483 33 I 4.4661 8.0746 129.9822 59.3438 39.6040 176.3851 34 T 4.2204 8.2359 115.9526 60.7376 70.9909 173.8053 35 P 4.2621 0.0000 0.0000 65.6403 31.3911 178.5865 36 E 3.9241 8.1434 117.6636 59.5143 29.5943 178.9465 37 S 4.0826 8.0310 115.1070 61.6182 62.8467 176.4997 38 F 4.0716 8.4949 123.5006 61.2811 39.0393 176.7248 39 C 4.0059 8.4346 118.8603 62.3600 31.3843 175.7472 40 K 3.9139 7.9380 120.0836 59.1474 31.5221 179.0924 41 L 3.6065 7.7019 120.6651 58.1257 41.9620 179.1221 42 I 3.4503 7.2038 119.7445 64.0377 36.5480 178.3291 43 K 3.9215 8.0467 120.5275 59.5568 32.0324 178.2353 44 Y 4.2400 7.9997 119.7161 60.7327 38.5881 178.1635 45 W 3.9583 8.2293 118.5655 58.9793 29.1251 177.2433 46 N 4.7761 8.0085 114.1000 53.4707 38.5194 175.1834 47 E 4.4616 7.5915 118.0903 56.3336 32.1942 175.9268 48 A 4.3563 8.1474 121.9792 52.0836 18.9700 176.8203 49 T 4.9635 8.5289 112.1129 60.2351 72.1098 173.6547 50 V 4.1890 8.2364 123.4443 60.8093 32.5667 175.5599 51 W 4.3451 8.8719 135.0000 58.2524 30.8643 174.3794 52 N 3.9468 8.0614 121.5899 52.6281 41.6272 174.3133 53 D 4.7572 7.9624 127.6788 53.1750 39.2866 175.0455 *54 N 4.8749 6.8182 116.2085 52.9390 45.2560 175.7683 *58 K 4.0285 7.6477 116.6140 56.1864 33.8047 175.5164 59 I 3.6435 7.9037 124.1968 59.9114 38.5424 174.6562 60 M 4.4034 8.0230 127.6941 54.6218 32.3285 176.5717 61 Q 3.8998 8.8900 125.3689 58.7827 30.2223 175.6065 62 Y 4.6092 7.7668 114.3716 55.8888 40.0142 176.2355 63 N 5.0709 8.6322 119.1945 51.0360 39.5384 170.9857 64 P 4.6210 0.0000 0.0000 62.7100 33.1796 176.5101 65 M 5.2254 9.0922 124.7407 53.4213 35.5161 175.3980 66 V 4.8272 8.6605 114.1830 59.6963 36.0709 174.5660 67 I 4.5728 8.5514 125.6349 59.7155 39.2190 174.6827 68 V 4.4356 8.0367 127.7671 61.0844 33.7498 174.0478 69 D 4.9225 8.7319 128.0057 53.5697 40.9574 177.1880 70 K 4.3232 9.1264 126.7141 59.4300 32.5957 179.9349 71 R 4.0947 8.5518 119.1973 58.4911 30.0391 177.3611 72 T 4.5379 7.0625 101.1620 59.8664 70.0901 173.4749 73 E 3.9445 8.6674 121.3052 57.9451 27.8117 174.0543 74 T 4.9076 7.4935 106.2057 59.4601 72.6397 173.1506 75 V 3.9968 8.7969 123.6381 63.2805 31.4743 175.5382 76 A 4.0880 9.1077 129.2376 52.8682 20.9835 176.0993 77 A 4.8521 7.3168 114.5062 51.6026 22.7344 175.2379 78 T 5.0052 8.9196 113.5948 61.0259 71.4843 172.8361 79 G 4.5504 8.6103 111.9618 45.4579 0.0000 171.4210 80 N 5.5912 8.9315 118.0226 50.5571 43.1021 172.8502 81 I 4.8822 8.1330 122.8483 59.3350 40.8943 174.1688 82 I 4.4518 8.7242 130.4606 59.6908 39.4827 174.5054 83 I 4.7496 8.2222 127.4460 59.4505 39.0683 174.6640 84 E 4.6520 8.9664 127.6804 54.2745 32.5820 174.2376 85 R 4.8897 8.6341 126.6774 55.0683 31.8151 175.3925 86 K 4.6348 9.1400 125.7742 55.1146 35.4411 177.1051 87 I 3.9814 8.3009 120.2889 63.5617 38.0232 177.0518 88 I 3.9539 7.5599 112.7321 61.9104 37.9428 174.3587 89 H 3.7844 8.8947 117.3469 58.0256 28.1889 174.3906 90 E 3.6496 8.8452 112.1113 57.8358 27.0099 175.0472 91 L 4.4798 7.7146 112.0530 55.0282 40.3050 175.8540 92 G 4.0080 8.1535 105.1931 46.4359 0.0000 173.1189 93 L 5.3271 8.6761 120.2041 53.0044 44.3287 175.0958 94 C 4.8190 9.0675 123.9288 57.3985 34.5029 172.9372 95 G 4.2457 8.5031 113.2156 45.4003 0.0000 172.4530 96 H 5.2401 8.9983 119.4016 53.7409 32.0360 172.7761 97 I 4.5874 8.5079 125.4765 60.8795 38.0035 175.6345 98 E 4.6014 8.9760 124.8437 54.7957 34.4847 174.5063 99 D 4.6119 8.4293 118.1602 55.5934 38.2936 174.2231 100 I 4.5005 7.6431 118.3993 60.8361 38.4560 177.1905 101 A 4.5888 9.1199 129.0801 50.4142 22.6151 174.6024 102 V 4.4930 8.2457 122.6140 60.6300 33.5514 175.1277 103 N 4.4082 8.9836 125.5111 53.8909 39.5063 176.1572 104 S 4.1366 9.0858 118.4357 61.9587 63.0585 177.1154 105 K 4.0508 8.0739 116.9146 58.5236 31.8756 177.0737 106 Y 4.5317 7.8885 115.1740 57.6321 38.4160 175.9931 107 Q 4.0993 7.7303 119.2004 56.8041 29.3844 176.1773 108 G 3.9237 8.7826 107.6737 46.2912 0.0000 173.9007 109 Q 4.4801 8.1193 113.8412 55.3499 29.4432 176.1429 110 G 3.9884 8.3892 106.2322 46.0169 0.0000 175.5256 111 L 3.8817 7.8370 122.1498 57.7231 42.0132 178.8638 112 G 3.5992 7.9582 105.3587 47.6677 0.0000 175.3499 113 K 3.9321 8.2629 121.7170 59.2626 32.3496 178.6779 114 L 4.0036 7.9253 119.2686 57.5766 41.4968 179.3220 115 L 3.8961 8.0467 120.2554 58.2769 42.0261 179.0798 116 I 3.7786 8.0243 119.9122 64.5538 37.0457 178.1674 117 D 4.3842 8.2802 119.7148 57.4785 40.6361 178.9156 118 Q 4.0081 8.0693 118.4365 58.8905 28.7100 178.7843 119 L 3.9496 8.0769 120.1132 57.6338 41.5543 179.6526 120 V 3.2960 7.9946 118.4016 66.2239 31.3548 178.2257 121 T 3.8825 7.9256 115.3852 66.5901 68.1400 176.5852 122 I 3.4715 7.7466 121.8088 64.2203 37.1327 178.7349 123 G 3.5266 7.8835 106.2750 47.9827 0.0000 175.8853 124 F 4.6888 8.1154 120.9315 60.2251 38.6602 177.5802 125 D 4.4638 8.2464 118.1093 57.1545 40.6362 177.7890 126 Y 4.6373 7.4259 116.3473 58.9579 37.9684 176.4711 127 G 4.2048 7.8248 108.0648 45.3034 0.0000 173.5956 128 C 4.4932 7.9433 117.6077 59.9251 28.4581 173.8279 129 Y 4.4084 8.5783 122.3498 58.8954 38.4666 175.2598 130 K 4.7284 6.7798 118.0679 55.8888 36.0742 174.6217 131 I 5.0706 8.0780 121.0033 59.5046 40.5386 174.7845 132 I 4.9450 8.5764 119.4913 59.3519 41.2741 173.8935 133 L 4.7678 8.1235 121.3756 55.1451 43.1664 174.0007 134 D 4.9424 8.3554 118.8846 52.7121 43.6343 175.2934 135 C 4.7562 7.9673 115.5873 56.7534 32.8157 173.3338 136 D 4.6183 8.4329 119.7757 53.7079 41.4752 177.2709 137 E 3.9768 8.8997 122.0484 59.4855 29.2293 179.2921 138 K 4.1770 8.1239 117.0282 58.8510 33.0401 177.5471 139 N 4.8819 8.3077 116.8930 52.9071 39.1981 176.3972 140 V 3.7582 7.6404 121.4515 66.3569 31.5764 178.0583 141 K 4.0392 8.1107 117.4643 59.1459 31.7740 178.9188 142 F 4.1207 8.1822 120.5547 61.7292 39.4028 176.7916 143 Y 3.6492 7.9063 115.8501 60.5787 37.5432 178.2854 144 E 4.7059 8.2430 121.4322 58.8320 29.3403 179.3491 145 K 4.0479 7.9819 117.6622 59.0780 32.1062 178.1379 146 C 4.4463 7.2788 114.8360 59.6100 28.2687 174.4299 147 G 3.9449 8.2118 109.5733 45.1445 0.0000 173.9576 148 F 4.5032 8.3774 118.9807 56.3843 40.2588 174.8466 149 S 5.0164 8.1639 115.7263 56.0166 65.9855 173.3614 150 N 4.3979 8.8028 120.1219 53.9359 39.0399 174.4489 151 A 4.7191 9.5523 125.9368 50.6719 21.1420 176.4938 152 G 3.9053 6.2855 100.5586 45.7205 0.0000 171.3509 153 V 4.3336 7.9490 119.5904 60.8262 33.8419 175.5379 154 E 4.3846 8.6784 127.6460 55.3885 30.4861 175.0770 155 M 4.8652 8.4446 125.1893 53.6003 35.0272 174.8072 156 Q 4.6402 8.2126 118.0161 54.6497 31.9969 173.9030 157 I 4.6102 8.0618 117.6746 59.2638 41.0445 174.4859 158 R 4.6599 8.3248 125.4907 54.0286 32.4140 176.0115 159 K 4.1320 8.5411 121.1987 56.7790 32.2218 176.5515 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 0 S 8.33 4.78 0.00 3.68 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 M 8.64 4.59 0.00 2.10 1.89 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.62 0.00 2 S 9.69 4.83 0.00 3.83 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 3 L 9.13 5.09 0.00 1.80 1.63 0.92 0.97 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 4 P 0.00 4.64 0.00 2.30 2.24 0.00 3.92 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 2.16 2.04 0.00 5 D 9.58 4.24 0.00 3.03 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 6 G 7.66 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 7 F 7.70 5.63 0.00 2.90 2.79 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 0.00 0.00 0.00 8 Y 8.67 5.35 0.00 3.14 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 9 I 9.08 5.17 1.87 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 1.29 1.64 1.02 0.00 0.00 10 R 8.49 4.96 0.00 2.02 2.17 0.00 3.08 0.00 0.00 3.41 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 11 R 8.53 4.52 0.00 1.77 1.96 0.00 3.25 0.00 0.00 3.19 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 12 M 9.03 4.49 0.00 2.21 2.20 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.79 0.00 13 E 9.66 4.90 0.00 2.07 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 2.27 2.50 0.00 14 E 9.12 4.28 0.00 2.08 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 2.38 2.42 0.00 15 G 8.10 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 16 D 8.33 4.64 0.00 2.99 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 17 L 7.37 2.96 0.00 0.98 1.42 0.10 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 18 E 7.95 3.80 0.00 1.97 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 2.33 2.32 0.00 19 Q 7.91 4.00 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.40 0.00 20 V 8.19 3.64 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 1.21 0.00 0.00 1.03 0.00 0.00 21 T 8.02 3.81 4.37 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 1.16 0.00 0.00 22 E 7.73 3.99 0.00 2.10 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 2.49 2.49 0.00 23 T 7.87 4.31 4.38 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 1.19 0.00 0.00 24 L 8.35 4.16 0.00 1.74 1.75 1.02 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 25 K 7.60 4.58 0.00 1.93 1.87 0.00 1.66 0.00 0.00 1.55 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.53 7.81 26 V 7.67 3.77 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 0.76 0.00 0.00 0.95 0.00 0.00 27 L 7.73 4.23 0.00 1.61 1.92 0.94 1.24 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 28 T 7.29 4.24 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 1.23 0.00 0.00 29 T 8.62 4.17 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 30 V 8.75 3.97 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 0.79 0.00 0.00 0.98 0.00 0.00 31 G 8.09 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 32 T 8.13 4.32 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 1.20 0.00 0.00 33 I 8.07 4.47 1.79 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 1.47 0.77 0.96 0.00 0.00 34 T 8.24 4.22 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 35 P 0.00 4.26 0.00 2.19 2.17 0.00 3.60 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 36 E 8.14 3.92 0.00 2.03 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 2.37 2.40 0.00 37 S 8.03 4.08 0.00 4.07 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 F 8.49 4.07 0.00 3.09 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 39 C 8.43 4.01 0.00 3.14 3.10 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 0.00 0.00 0.00 40 K 7.94 3.91 0.00 1.94 1.76 0.00 1.68 0.00 0.00 1.52 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.65 7.81 41 L 7.70 3.61 0.00 1.35 1.16 0.24 0.02 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 42 I 7.20 3.45 1.72 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.46 0.85 0.00 0.00 43 K 8.05 3.92 0.00 1.87 1.95 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.57 7.81 44 Y 8.00 4.24 0.00 3.00 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 45 W 8.23 3.96 0.00 3.27 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 46 N 8.01 4.78 0.00 2.78 2.88 0.00 0.00 6.81 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 47 E 7.59 4.46 0.00 2.17 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 2.27 2.29 0.00 48 A 8.15 4.36 1.27 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 0.00 0.00 0.00 49 T 8.53 4.96 4.30 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 1.24 0.00 0.00 50 V 8.24 4.19 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 0.68 0.00 0.00 0.78 0.00 0.00 51 W 8.87 4.35 0.00 3.26 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 52 N 8.06 3.95 0.00 2.36 2.39 0.00 0.00 7.08 8.47 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 53 D 7.96 4.76 0.00 2.59 2.59 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 *54 N 6.82 4.87 0.00 2.68 2.51 0.00 0.00 6.98 7.44 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 *58 K 7.65 4.03 0.00 1.79 1.82 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.79 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.49 7.81 59 I 7.90 3.64 1.72 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.59 0.14 0.00 0.00 60 M 8.02 4.40 0.00 2.04 2.29 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.71 0.00 61 Q 8.89 3.90 0.00 2.04 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.76 0.00 0.00 0.00 0.00 0.00 1.79 2.14 0.00 62 Y 7.77 4.61 0.00 2.34 1.91 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 63 N 8.63 5.07 0.00 2.68 2.67 0.00 0.00 6.67 7.31 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 64 P 0.00 4.62 0.00 2.21 1.59 0.00 3.57 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.93 0.00 65 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0.00 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 2.43 0.00 74 T 7.49 4.91 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 1.30 0.00 0.00 75 V 8.80 4.00 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 0.70 0.00 0.00 0.98 0.00 0.00 76 A 9.11 4.09 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 A 7.32 4.85 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 T 8.92 5.01 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 1.24 0.00 0.00 79 G 8.61 4.55 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 0.00 80 N 8.93 5.59 0.00 2.66 2.52 0.00 0.00 6.50 7.03 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 81 I 8.13 4.88 1.81 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 1.29 1.14 0.87 0.00 0.00 82 I 8.72 4.45 1.73 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.56 0.00 0.00 83 I 8.22 4.75 1.65 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 1.08 0.66 0.78 0.00 0.00 84 E 8.97 4.65 0.00 2.00 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 2.22 2.21 0.00 85 R 8.63 4.89 0.00 1.90 1.91 0.00 3.50 0.00 0.00 3.44 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.86 0.00 86 K 9.14 4.63 0.00 1.82 1.79 0.00 1.93 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.60 1.49 7.81 87 I 8.30 3.98 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.69 0.93 0.00 0.00 88 I 7.56 3.95 1.88 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.86 0.93 0.00 0.00 89 H 8.89 3.78 0.00 2.69 2.80 0.00 6.07 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 E 8.85 3.65 0.00 2.06 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 2.17 2.19 0.00 91 L 7.71 4.48 0.00 1.84 1.86 1.14 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.00 0.00 92 G 8.15 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 93 L 8.68 5.33 0.00 1.66 1.58 0.88 0.65 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 94 C 9.07 4.82 0.00 2.80 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 95 G 8.50 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 0.00 0.00 0.00 96 H 9.00 5.24 0.00 3.00 3.14 0.00 5.81 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 97 I 8.51 4.59 1.77 0.00 0.00 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 1.19 0.44 0.91 0.00 0.00 98 E 8.98 4.60 0.00 1.81 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.42 0.00 99 D 8.43 4.61 0.00 2.90 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 0.00 100 I 7.64 4.50 1.97 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 1.33 0.90 0.98 0.00 0.00 101 A 9.12 4.59 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 0.00 102 V 8.25 4.49 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 0.83 0.00 0.00 0.81 0.00 0.00 103 N 8.98 4.41 0.00 3.01 2.93 0.00 0.00 6.61 9.07 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 0.00 104 S 9.09 4.14 0.00 3.88 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 0.00 105 K 8.07 4.05 0.00 1.53 1.61 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.34 7.81 106 Y 7.89 4.53 0.00 3.09 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 0.00 107 Q 7.73 4.10 0.00 2.14 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.26 0.00 0.00 0.00 0.00 0.00 2.31 2.53 0.00 108 G 8.78 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 0.00 109 Q 8.12 4.48 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.65 0.00 0.00 0.00 0.00 0.00 2.48 2.41 0.00 110 G 8.39 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 0.00 0.00 0.00 111 L 7.84 3.88 0.00 1.57 1.53 -0.16 0.56 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 0.00 112 G 7.96 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 K 8.26 3.93 0.00 1.93 2.01 0.00 1.72 0.00 0.00 1.83 0.00 0.00 3.09 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.66 1.45 7.81 114 L 7.93 4.00 0.00 1.84 1.66 0.91 0.54 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 0.00 115 L 8.05 3.90 0.00 1.69 1.84 0.89 0.98 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 0.00 116 I 8.02 3.78 1.88 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.75 1.04 0.00 0.00 117 D 8.28 4.38 0.00 2.85 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 0.00 118 Q 8.07 4.01 0.00 2.25 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.57 2.53 0.00 119 L 8.08 3.95 0.00 1.82 1.67 0.97 0.64 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 0.00 120 V 7.99 3.30 2.18 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 0.93 0.00 0.00 1.04 0.00 0.00 121 T 7.93 3.88 4.35 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 1.23 0.00 0.00 122 I 7.75 3.47 1.89 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 1.27 0.76 0.59 0.00 0.00 123 G 7.88 3.53 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 0.00 0.00 0.00 124 F 8.12 4.69 0.00 3.03 2.96 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 0.00 125 D 8.25 4.46 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 0.00 126 Y 7.43 4.64 0.00 3.12 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 0.00 127 G 7.82 4.20 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 0.00 128 C 7.94 4.49 0.00 3.13 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 0.00 129 Y 8.58 4.41 0.00 2.94 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 0.00 130 K 6.78 4.73 0.00 1.69 1.73 0.00 1.36 0.00 0.00 1.81 0.00 0.00 2.66 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.32 1.09 7.81 131 I 8.08 5.07 1.55 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.23 0.85 0.00 0.00 132 I 8.58 4.95 1.84 0.00 0.00 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 1.22 0.68 0.84 0.00 0.00 133 L 8.12 4.77 0.00 1.29 1.41 -0.18 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 134 D 8.36 4.94 0.00 2.59 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 0.00 135 C 7.97 4.76 0.00 3.17 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.43 4.62 0.00 2.77 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 0.00 137 E 8.90 3.98 0.00 2.09 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 2.40 2.47 0.00 138 K 8.12 4.18 0.00 1.96 1.95 0.00 1.60 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.54 7.81 139 N 8.31 4.88 0.00 3.03 3.12 0.00 0.00 6.43 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 0.00 140 V 7.64 3.76 2.24 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 1.12 0.00 0.00 1.13 0.00 0.00 141 K 8.11 4.04 0.00 1.89 1.88 0.00 1.75 0.00 0.00 1.77 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.57 1.53 7.81 142 F 8.18 4.12 0.00 2.94 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 0.00 143 Y 7.91 3.65 0.00 3.10 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 0.00 144 E 8.24 4.71 0.00 2.21 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 2.40 2.52 0.00 145 K 7.98 4.05 0.00 1.77 1.82 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.64 1.64 7.81 146 C 7.28 4.45 0.00 3.07 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 0.00 147 G 8.21 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 0.00 148 F 8.38 4.50 0.00 3.37 3.02 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 0.00 149 S 8.16 5.02 0.00 3.94 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 0.00 150 N 8.80 4.40 0.00 2.74 2.80 0.00 0.00 6.74 7.96 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 0.00 151 A 9.55 4.72 1.27 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 0.00 0.00 0.00 152 G 6.29 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 0.00 0.00 0.00 153 V 7.95 4.33 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.94 0.00 0.00 154 E 8.68 4.38 0.00 2.12 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.40 0.00 155 M 8.44 4.87 0.00 2.01 1.93 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.43 0.00 156 Q 8.21 4.64 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.70 0.00 0.00 0.00 0.00 0.00 2.22 2.34 0.00 157 I 8.06 4.61 1.88 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 1.42 0.95 0.92 0.00 0.00 158 R 8.32 4.66 0.00 1.82 1.81 0.00 3.43 0.00 0.00 3.16 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 159 K 8.54 4.13 0.00 1.72 1.69 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.44 7.81 * Residues marked with a * may have inaccurate shift predictions.