NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.4758 8.1776 115.4114 57.9037 64.0641 174.3042 5 S 4.0253 8.3104 115.0550 60.2938 62.5940 174.8716 6 S 4.1377 8.7411 118.0664 61.6238 62.7146 177.2261 7 T 3.9523 7.7576 118.2952 66.1850 68.1734 176.8564 8 K 3.9224 8.0556 121.8519 59.2845 32.2457 178.8028 9 K 3.9466 7.7323 118.8498 59.8298 32.1245 178.9161 10 T 3.8793 7.7109 115.9677 66.5207 68.2677 176.3975 11 Q 3.9328 8.2102 121.4322 59.2757 29.1648 178.3485 12 L 3.9650 7.9698 119.9518 57.9111 41.7029 179.3976 13 Q 4.0394 8.2162 119.5051 59.0967 28.9679 178.1915 14 L 4.0732 8.1543 120.2262 57.7806 41.7599 179.2672 15 E 4.0849 8.5402 118.6301 59.1707 29.3471 178.8638 16 H 4.3268 8.1316 118.8208 59.0087 29.9728 177.0143 17 L 3.8992 7.8965 122.1454 57.9787 41.9579 178.5592 18 L 3.9769 7.9468 120.3691 58.1872 41.9304 178.8171 19 L 3.9736 7.9075 119.9440 58.1246 42.0392 178.6274 20 D 4.3242 8.1624 118.8459 57.5104 40.8121 178.8626 21 L 4.0288 7.9632 119.3855 57.8688 41.5634 179.6239 22 Q 4.0367 8.1461 118.0259 58.6696 28.7060 178.3602 23 M 3.9701 8.1706 119.6856 58.6590 32.3645 178.3028 24 I 3.6633 7.6385 119.9259 64.3807 37.2974 178.1630 25 L 3.9207 7.9971 121.1113 58.1852 41.6163 178.5647 26 N 4.3850 8.0247 116.4456 56.2751 38.6442 176.9304 27 G 3.5314 7.7732 106.9920 47.7506 0.0000 175.8449 28 I 2.7566 7.3981 122.6379 63.7707 36.9229 178.3764 29 N 4.4167 7.7511 115.5679 55.6989 38.4902 175.8694 30 N 4.5527 7.2894 113.4596 54.4178 39.0525 175.2395 31 Y 4.6561 7.1285 115.6111 57.4870 38.7877 176.5450 32 K 4.2923 8.4735 121.0745 56.0091 34.2570 177.8865 33 N 4.2796 8.8514 119.9301 56.6166 38.1329 175.9930 34 P 4.3024 0.0000 0.0000 65.2741 31.5466 178.6751 35 K 3.7769 7.9849 118.2819 59.2811 32.2429 178.5028 36 L 4.1396 8.5624 121.1248 58.3565 41.7258 179.0439 37 T 3.9044 7.7010 115.0591 66.8867 68.3055 176.4925 38 R 4.1437 7.6511 119.3576 59.0530 29.6635 178.7248 39 M 4.2352 8.0644 117.9884 58.4326 32.0738 177.6804 40 L 4.3405 7.9809 117.2572 56.3830 41.9871 178.3808 41 T 4.4089 7.4794 108.1836 62.0908 69.2450 174.5253 42 F 3.8845 7.6638 123.7848 58.0890 39.2949 174.0620 43 K 4.8102 7.8834 127.7562 55.0967 33.7205 176.0733 44 F 4.7567 9.4303 122.1292 55.7661 42.9026 173.7443 45 Y 4.9853 9.4936 119.2264 57.5540 38.9211 175.1804 46 M 5.2052 8.9491 123.0263 52.9116 35.3277 173.6579 47 P 5.0053 0.0000 0.0000 62.5693 32.6237 176.6642 48 K 4.1031 8.4016 120.6119 58.1619 32.3876 177.4402 49 K 4.4208 7.8711 118.7643 54.4395 33.9436 175.5392 50 A 4.7603 8.4145 128.9290 50.4848 19.2695 174.4375 51 T 4.6391 8.7263 108.7349 61.1220 71.3548 174.4802 52 E 4.7788 7.7922 119.9688 53.6893 32.8442 176.6729 53 L 4.3120 8.3420 119.8248 57.6663 41.0995 179.5225 54 K 4.1585 7.8473 117.5815 59.0419 32.8050 177.7971 55 H 4.4797 7.8971 116.5404 56.7365 28.8771 176.4196 56 L 3.9335 7.7253 121.5929 56.3026 41.4182 178.7586 57 Q 4.0960 7.8030 118.7126 58.8154 28.4072 177.5995 58 C 4.7583 8.0096 117.7971 58.7605 34.7441 175.3321 59 L 3.8447 7.2964 121.9140 57.5058 41.5546 177.9616 60 E 3.8756 7.9928 119.2816 59.5954 29.3501 178.8317 61 E 4.1314 8.2094 117.0514 58.8446 29.6629 178.1379 62 E 4.5630 7.9567 116.5391 56.5940 29.8777 178.1027 63 L 4.1390 7.8328 121.6724 57.4554 41.6249 179.5618 64 K 4.0033 8.0110 118.2043 59.1054 32.3510 177.2437 65 P 4.3290 0.0000 0.0000 65.7141 31.1431 178.3590 66 L 4.2019 7.8884 119.2478 58.1661 41.9119 178.6375 67 E 3.9642 8.1962 119.0777 59.3240 29.1501 178.6781 68 E 3.9847 8.4661 118.5627 59.1499 29.3375 179.1985 69 A 3.4240 7.5180 120.5586 54.7628 18.1749 179.5128 70 L 4.0706 7.6076 115.8033 57.1857 42.0577 178.9220 71 N 4.5245 8.0619 116.8601 55.9513 38.2609 177.3493 72 L 4.1270 7.4964 118.4917 57.0138 41.8257 178.2605 73 A 4.3701 7.5232 120.4111 51.8550 19.2518 177.7161 74 Q 4.0570 6.9705 117.6749 55.1125 29.2275 182.0932 *81 R 4.2227 8.1726 116.6154 58.9888 31.5520 174.2281 82 P 4.5435 0.0000 0.0000 64.4161 31.5829 178.9726 83 R 4.2806 7.8484 118.9211 58.7939 30.0216 177.8792 84 D 4.5249 7.9706 118.0668 56.5831 41.1586 178.4515 85 L 3.9395 7.9326 120.9879 58.2774 42.1744 179.1452 86 I 3.7259 7.6120 119.4842 64.2523 37.0490 178.3099 87 S 4.1104 7.7166 112.9459 61.5044 62.0361 176.0349 88 N 4.3517 8.3700 119.2130 56.3733 38.2668 177.5214 89 I 3.6656 7.9359 121.3055 64.2093 37.1937 177.7650 90 N 4.2205 8.6669 118.3048 56.7901 38.7316 176.9268 91 V 3.5825 7.6924 119.2042 66.0408 31.5365 177.9009 92 I 3.6849 7.4012 119.4295 64.5123 36.9093 178.4966 93 V 3.5443 7.8254 118.8521 66.1557 31.1963 178.1046 94 L 4.0000 8.0783 118.5658 57.6581 41.1702 179.2614 95 E 4.0812 8.1023 117.9533 58.8372 29.5445 179.0089 96 L 4.1690 8.0173 118.8987 57.7172 41.9979 179.4533 97 K 4.1777 8.5408 117.3045 57.9343 32.9772 179.4639 98 G 3.7344 9.0307 106.6894 43.9459 0.0000 177.2843 99 S 3.5568 8.7025 123.6020 59.0796 61.4234 170.9922 100 E 4.6832 8.5083 116.2752 56.6899 31.7284 175.9885 101 T 3.9098 7.9980 116.4258 63.8389 68.8974 173.9483 102 T 4.3981 8.3676 123.2207 61.7926 68.7435 173.3759 103 F 4.5668 8.5820 129.1605 57.0203 40.2589 174.8337 104 M 3.9376 7.9175 128.1353 55.1872 32.6940 176.2002 105 C 4.2762 8.1465 123.3234 56.4953 36.0132 172.6346 106 E 4.6345 8.3015 120.3370 54.7571 31.9753 174.5252 107 Y 5.3127 8.3634 120.9512 55.9897 41.3535 175.5944 108 A 4.2881 8.7776 125.7157 51.8063 19.5490 178.1777 109 D 4.5007 8.6700 119.0415 57.5970 41.0835 177.5111 110 E 4.1334 8.0658 118.6619 56.2460 29.7054 177.0714 111 T 4.4834 8.3579 114.2363 61.5820 70.2332 173.3266 112 A 5.0851 8.7448 123.2421 50.1946 23.5051 175.9419 113 T 4.5596 8.9917 110.2630 61.2005 70.5607 175.5190 114 I 3.6356 8.6727 120.1443 64.1351 37.8605 177.8304 115 V 3.5976 7.7853 118.6732 66.2105 31.4307 177.8310 116 E 4.0173 7.9724 117.2679 59.0685 28.7347 179.2522 117 F 4.2076 8.3668 120.9607 61.2908 39.4370 177.3284 118 L 3.8698 8.1109 118.6619 57.8356 41.4423 179.2074 119 N 4.2876 8.2907 116.5140 56.2972 38.4751 177.3465 120 R 3.7785 7.6838 119.8649 59.1648 30.0965 178.4194 121 W 4.4658 7.5849 117.0102 58.9279 29.1497 178.8602 122 I 3.8032 7.9605 120.4967 64.6440 36.6549 178.4385 123 T 4.0207 8.3991 117.0359 66.4495 68.1870 176.3116 124 F 4.0803 8.2856 122.5120 61.5697 39.4525 176.8033 125 C 4.0208 8.3099 116.0952 63.2060 27.9031 176.2422 126 Q 4.0160 8.1019 119.6008 58.9857 28.0073 179.2214 127 S 4.1013 7.6670 114.2510 61.1707 63.3555 176.3802 128 I 3.7376 7.2702 123.0752 63.9679 36.6528 178.2363 129 I 3.6293 7.6605 120.5681 64.6274 37.0000 177.9158 130 S 4.4446 7.6639 113.2993 59.5670 62.7887 174.6667 131 T 4.5829 7.5227 110.2266 60.7023 68.7979 174.3188 132 L 4.1249 7.6055 127.9981 56.6969 40.4715 175.2705 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 4 S 8.18 4.48 0.00 4.01 4.08 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 5 S 8.31 4.03 0.00 4.15 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 S 8.74 4.14 0.00 3.91 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 7 T 7.76 3.95 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 1.20 0.00 0.00 8 K 8.06 3.92 0.00 2.02 1.79 0.00 1.52 0.00 0.00 1.57 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.48 7.81 9 K 7.73 3.95 0.00 2.04 1.94 0.00 1.58 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.53 7.81 10 T 7.71 3.88 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 1.21 0.00 0.00 11 Q 8.21 3.93 0.00 2.31 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 12 L 7.97 3.97 0.00 1.74 1.69 0.93 0.54 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 13 Q 8.22 4.04 0.00 2.35 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 14 L 8.15 4.07 0.00 2.00 1.70 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.54 4.08 0.00 2.25 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 2.33 2.31 0.00 16 H 8.13 4.33 0.00 3.36 3.46 0.00 5.61 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 17 L 7.90 3.90 0.00 1.83 1.83 0.85 0.57 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 18 L 7.95 3.98 0.00 1.85 1.93 0.94 0.61 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 19 L 7.91 3.97 0.00 2.04 1.68 0.94 1.18 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 20 D 8.16 4.32 0.00 2.84 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 21 L 7.96 4.03 0.00 1.71 1.71 0.99 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 22 Q 8.15 4.04 0.00 2.35 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 23 M 8.17 3.97 0.00 2.07 2.26 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.57 0.00 24 I 7.64 3.66 1.99 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 1.41 0.84 0.91 0.00 0.00 25 L 8.00 3.92 0.00 1.88 1.78 0.91 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 26 N 8.02 4.39 0.00 2.86 2.94 0.00 0.00 7.20 8.09 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 27 G 7.77 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 28 I 7.40 2.76 1.75 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 1.60 0.83 0.92 0.00 0.00 29 N 7.75 4.42 0.00 2.75 2.84 0.00 0.00 7.11 8.16 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 30 N 7.29 4.55 0.00 2.88 2.83 0.00 0.00 7.01 7.34 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 31 Y 7.13 4.66 0.00 3.07 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 32 K 8.47 4.29 0.00 1.82 1.75 0.00 1.71 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.57 1.57 7.81 33 N 8.85 4.28 0.00 2.75 2.92 0.00 0.00 6.95 8.03 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 34 P 0.00 4.30 0.00 2.16 2.10 0.00 3.55 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 35 K 7.98 3.78 0.00 1.74 1.94 0.00 1.44 0.00 0.00 1.38 0.00 0.00 2.13 0.00 0.00 2.19 0.00 0.00 0.00 0.00 1.17 1.28 7.81 36 L 8.56 4.14 0.00 1.98 1.90 1.04 0.89 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 37 T 7.70 3.90 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 38 R 7.65 4.14 0.00 1.80 2.00 0.00 3.29 0.00 0.00 3.11 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.78 0.00 39 M 8.06 4.24 0.00 2.41 2.18 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.77 0.00 40 L 7.98 4.34 0.00 1.89 1.77 0.97 0.88 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 41 T 7.48 4.41 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 1.25 0.00 0.00 42 F 7.66 3.88 0.00 3.08 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 43 K 7.88 4.81 0.00 1.38 1.52 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.28 7.81 44 F 9.43 4.76 0.00 2.94 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 45 Y 9.49 4.99 0.00 2.88 2.30 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 46 M 8.95 5.21 0.00 2.02 2.11 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.68 0.00 47 P 0.00 5.01 0.00 2.07 2.15 0.00 3.67 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 1.53 1.22 0.00 48 K 8.40 4.10 0.00 1.79 1.90 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.41 7.81 49 K 7.87 4.42 0.00 1.62 1.57 0.00 1.62 0.00 0.00 1.73 0.00 0.00 3.12 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.30 1.46 7.81 50 A 8.41 4.76 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 T 8.73 4.64 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 1.26 0.00 0.00 52 E 7.79 4.78 0.00 1.62 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.21 0.00 53 L 8.34 4.31 0.00 1.70 1.77 0.96 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 54 K 7.85 4.16 0.00 1.88 1.95 0.00 1.30 0.00 0.00 1.66 0.00 0.00 2.59 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.08 0.69 7.81 55 H 7.90 4.48 0.00 3.44 3.38 0.00 5.64 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 7.73 3.93 0.00 1.75 1.57 1.13 0.88 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 57 Q 7.80 4.10 0.00 2.19 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 6.81 0.00 0.00 0.00 0.00 0.00 2.44 2.51 0.00 58 C 8.01 4.76 0.00 3.50 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 L 7.30 3.84 0.00 0.27 0.89 0.32 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 60 E 7.99 3.88 0.00 2.19 2.04 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 2.30 2.34 0.00 61 E 8.21 4.13 0.00 2.22 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 2.42 2.43 0.00 62 E 7.96 4.56 0.00 2.40 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 0.00 2.51 3.01 0.00 63 L 7.83 4.14 0.00 1.80 1.74 0.91 1.08 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 64 K 8.01 4.00 0.00 1.80 1.88 0.00 1.72 0.00 0.00 1.84 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.55 1.49 7.81 65 P 0.00 4.33 0.00 2.30 2.01 0.00 3.68 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.16 0.00 66 L 7.89 4.20 0.00 2.00 1.99 0.91 0.94 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 67 E 8.20 3.96 0.00 2.28 2.04 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 2.31 2.53 0.00 68 E 8.47 3.98 0.00 2.38 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 2.39 2.36 0.00 69 A 7.52 3.42 0.60 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 70 L 7.61 4.07 0.00 1.65 1.76 0.98 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 71 N 8.06 4.52 0.00 3.00 2.86 0.00 0.00 6.84 6.60 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 72 L 7.50 4.13 0.00 1.78 1.73 1.09 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 73 A 7.52 4.37 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 74 Q 6.97 4.06 0.00 2.14 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.34 0.00 0.00 0.00 0.00 0.00 2.31 2.18 0.00 *81 R 8.17 4.22 0.00 1.84 1.89 0.00 3.22 0.00 0.00 3.34 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.30 0.00 82 P 0.00 4.54 0.00 2.15 2.13 0.00 3.57 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 2.11 2.15 0.00 83 R 7.85 4.28 0.00 1.88 1.92 0.00 3.21 0.00 0.00 3.30 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.58 0.00 84 D 7.97 4.52 0.00 2.73 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 85 L 7.93 3.94 0.00 1.78 1.75 0.91 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 86 I 7.61 3.73 1.97 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 1.61 0.71 1.00 0.00 0.00 87 S 7.72 4.11 0.00 3.98 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 88 N 8.37 4.35 0.00 3.07 2.84 0.00 0.00 7.06 6.88 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 89 I 7.94 3.67 1.98 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 0.70 0.85 0.00 0.00 90 N 8.67 4.22 0.00 2.91 2.99 0.00 0.00 6.87 7.59 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 91 V 7.69 3.58 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 0.98 0.00 0.00 0.99 0.00 0.00 92 I 7.40 3.68 1.98 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 1.64 0.69 0.95 0.00 0.00 93 V 7.83 3.54 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 1.07 0.00 0.00 0.89 0.00 0.00 94 L 8.08 4.00 0.00 1.90 1.70 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 95 E 8.10 4.08 0.00 2.10 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 2.35 2.54 0.00 96 L 8.02 4.17 0.00 1.73 1.77 0.97 1.24 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 97 K 8.54 4.18 0.00 1.99 2.02 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.21 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.61 1.47 7.81 98 G 9.03 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 0.00 0.00 0.00 99 S 8.70 3.56 0.00 4.01 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 E 8.51 4.68 0.00 1.88 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.37 0.00 101 T 8.00 3.91 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 1.27 0.00 0.00 102 T 8.37 4.40 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 103 F 8.58 4.57 0.00 2.96 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 0.00 104 M 7.92 3.94 0.00 1.72 1.76 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.38 0.00 105 C 8.15 4.28 0.00 2.69 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 0.00 0.00 0.00 0.00 106 E 8.30 4.63 0.00 1.85 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 2.24 2.27 0.00 107 Y 8.36 5.31 0.00 2.81 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 0.00 108 A 8.78 4.29 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 109 D 8.67 4.50 0.00 2.73 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 0.00 110 E 8.07 4.13 0.00 2.00 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 2.34 2.27 0.00 111 T 8.36 4.48 4.17 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 0.96 0.00 0.00 112 A 8.74 5.09 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 T 8.99 4.56 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 1.34 0.00 0.00 114 I 8.67 3.64 2.10 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 1.55 1.23 1.01 0.00 0.00 115 V 7.79 3.60 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 1.08 0.00 0.00 0.96 0.00 0.00 116 E 7.97 4.02 0.00 2.18 2.04 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 2.36 2.36 0.00 117 F 8.37 4.21 0.00 3.16 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 0.00 118 L 8.11 3.87 0.00 1.73 1.68 0.95 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 119 N 8.29 4.29 0.00 2.85 2.84 0.00 0.00 6.68 7.20 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 0.00 120 R 7.68 3.78 0.00 1.80 1.81 0.00 2.96 0.00 0.00 2.94 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.93 0.00 121 W 7.58 4.47 0.00 3.21 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 0.00 122 I 7.96 3.80 2.02 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 0.70 0.92 0.00 0.00 123 T 8.40 4.02 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 124 F 8.29 4.08 0.00 3.08 3.43 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 0.00 125 C 8.31 4.02 0.00 3.28 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 0.00 126 Q 8.10 4.02 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.52 0.00 127 S 7.67 4.10 0.00 3.99 4.10 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 0.00 128 I 7.27 3.74 1.60 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.76 0.77 0.00 0.00 129 I 7.66 3.63 1.83 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 1.27 0.74 0.89 0.00 0.00 130 S 7.66 4.44 0.00 3.87 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 0.00 131 T 7.52 4.58 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 1.17 0.00 0.00 132 L 7.61 4.12 0.00 1.66 1.58 0.90 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.