NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 A 4.6849 8.1227 122.4850 51.9736 20.7776 175.1562 9 F 5.1133 9.0679 121.5836 55.5277 43.1755 171.7558 10 L 5.3896 8.4975 126.7215 53.3089 46.5058 174.3721 11 N 5.2339 9.5377 123.2059 52.1256 41.5513 173.1923 12 S 5.0364 8.7914 123.1976 56.8459 62.8951 172.9447 13 L 5.1732 8.5655 127.3077 54.1110 44.1147 175.4156 14 F 5.6725 7.8324 113.4656 54.7511 41.5752 172.3376 *16 D 4.9629 8.5762 116.5309 55.0987 42.2571 175.5860 17 F 5.2703 9.5380 122.6684 55.4848 40.7230 176.2985 18 T 4.2474 8.8655 109.5066 63.7832 68.8918 174.8430 19 S 4.3096 7.5307 116.0246 56.2958 66.8323 174.7529 20 E 3.9494 8.3665 122.0620 59.3188 29.4285 178.2150 21 N 4.3321 8.1178 116.1718 56.3860 38.6391 177.0446 22 E 4.1964 8.2723 120.0788 59.1971 29.4663 179.1640 23 L 2.8526 7.4699 119.7653 57.8010 42.1341 178.8978 24 E 3.9079 8.3276 118.7952 59.2587 29.1546 179.0909 25 L 4.0710 7.8750 119.5351 57.9740 42.3866 178.4885 26 F 3.4001 8.2786 120.6042 61.1480 39.0707 177.1200 27 L 3.9539 7.9392 117.3307 57.6117 41.4993 179.0254 28 K 4.3002 7.8887 115.8209 57.4450 32.2882 177.5967 29 S 4.7453 7.8312 115.2728 57.9928 64.0875 175.6205 30 L 4.0067 8.0131 123.2363 58.2194 41.3695 179.2245 31 D 4.7433 8.0364 116.1805 56.7019 40.9554 177.3612 32 E 4.1010 8.3398 118.6039 58.2232 29.8092 177.4341 33 V 3.7981 7.5990 115.7202 64.1212 32.9589 176.8496 34 W 4.0274 7.8072 121.7761 55.2766 27.3898 176.4999 35 S 4.7927 7.2952 117.5037 56.6698 66.2728 174.8947 36 E 4.1491 8.7211 121.7375 59.7752 29.2633 179.4604 37 D 4.4384 8.1166 118.4121 57.2271 40.9287 178.3590 38 L 3.6943 7.7746 120.6353 58.4407 42.0311 178.5416 39 Y 4.3670 8.5410 117.0186 61.1640 37.8934 178.6258 40 S 4.1955 8.7162 114.4865 61.5263 62.5101 176.6042 41 R 4.0030 8.0690 120.2330 59.3120 29.9433 178.9597 42 L 4.1267 8.2943 119.2123 57.9913 41.6912 179.8428 43 S 4.7750 8.9742 115.6871 61.0766 62.6768 176.3686 44 A 4.0650 7.8988 122.8744 54.6460 18.1573 178.8371 45 A 4.2792 8.1775 118.1232 52.4732 18.5468 178.4067 46 G 4.1882 7.8112 106.4181 44.8830 0.0000 173.1507 47 L 4.3840 8.6271 123.8248 55.1594 42.4220 177.4086 48 I 4.2004 8.9659 127.4197 62.9784 38.7050 176.1730 49 R 4.6491 7.5331 119.8274 55.2705 33.7547 173.5391 50 H 5.0568 8.4978 123.7864 54.6650 32.6946 172.3398 51 V 4.2471 8.2774 125.6014 60.9502 33.9699 174.4993 52 I 4.5494 8.1237 127.8285 59.5016 39.5461 174.8659 53 S 4.6610 8.9598 121.1760 56.2572 65.9319 173.4827 54 K 4.5225 8.6346 124.9201 56.2864 33.0496 176.3312 55 V 4.3075 8.0075 124.2876 61.6522 34.2401 176.9095 *56 W 4.3272 8.6882 128.5570 55.2949 26.9724 172.6528 57 N 4.9814 7.9194 124.8105 51.8541 41.5114 174.0329 *59 E 4.3443 8.5140 112.7753 55.9448 32.0335 171.5558 60 Q 4.6286 7.6298 117.3320 54.5101 31.2628 175.8520 61 H 4.8739 8.3664 117.7556 54.0548 28.8288 172.6695 62 R 5.0903 8.1982 122.1550 54.3156 33.3792 174.0379 63 I 4.7863 8.3455 124.5444 59.7965 41.3087 174.8239 64 S 5.4405 8.9255 121.3539 55.7513 65.9154 172.1785 *66 V 4.3334 8.0194 118.7472 62.8631 32.7010 174.1245 67 F 5.2693 9.2551 126.4389 55.5975 41.8536 173.9381 68 E 5.1099 8.7615 124.2473 54.5694 32.4424 174.2114 69 Y 5.5164 9.1612 124.0545 56.1231 41.5246 176.2064 70 D 4.8310 9.3332 121.2066 54.9410 40.3483 175.8403 71 S 4.6446 7.8489 115.2538 57.2532 65.1007 177.8520 72 K 3.2541 8.1663 125.1531 59.3391 31.1667 178.6570 73 E 4.1625 8.0912 118.0693 59.5169 29.4361 179.3347 74 G 3.6832 8.2190 105.9904 47.5981 0.0000 175.0278 75 Y 2.8417 7.5605 121.7103 60.0915 38.6183 178.1328 76 Q 3.4878 7.8185 118.8692 58.8571 28.7771 178.9774 77 K 3.8213 8.0794 120.6079 59.5286 32.0893 178.5853 78 C 4.1133 7.8743 117.1002 62.9285 28.0983 175.9985 79 Q 3.8289 7.6141 119.4873 58.9044 28.1058 178.8596 80 E 3.9097 8.2905 119.7856 59.3266 29.4150 179.2313 81 I 3.7989 7.8475 119.9896 64.6903 37.2474 178.2060 82 I 3.8781 8.2560 123.2197 65.3909 36.7432 178.7002 83 D 4.5097 8.0759 122.6172 58.2721 40.0065 180.6171 84 K 4.4466 8.6283 124.2629 58.1129 32.1980 180.1440 85 E 4.3663 8.2606 117.3521 58.3039 30.0475 177.9212 86 F 4.2883 8.0964 116.8480 59.2529 39.9733 176.8236 87 G 4.2497 8.4401 109.4855 46.6945 0.0000 174.6509 88 I 3.8520 8.1783 117.8921 64.9736 35.2290 174.6080 89 T 4.0671 7.8226 114.3715 67.0798 68.6244 175.8706 90 L 4.1474 7.8056 123.6679 58.5985 42.1730 179.4000 91 K 3.9247 7.9228 123.5666 60.2049 31.3806 180.6261 92 E 4.3108 8.3076 120.7940 59.1881 29.4218 180.1658 93 K 4.2181 8.0860 124.3285 59.9361 31.8550 183.9830 94 L 4.6058 7.9590 120.1610 57.4587 41.4115 179.4946 95 K 4.1313 8.1093 117.4886 58.7237 31.9761 179.0404 96 K 4.0001 7.8292 118.7003 57.7000 32.2735 177.0071 97 F 4.9467 7.8160 117.0167 55.8435 40.6049 175.3133 98 V 4.1318 8.3945 124.9120 61.3353 31.9940 174.5456 99 F 4.9923 7.5087 121.1572 55.1839 40.8452 173.4377 100 K 4.3432 8.8990 123.1625 55.3858 32.8758 175.4857 101 I 4.6149 8.3143 127.5835 59.8560 40.2894 174.5311 102 H 4.5676 8.8514 125.0464 54.0987 31.3309 172.2941 103 N 4.9991 8.6158 120.8489 52.4881 40.3704 175.8913 104 N 4.9435 9.2937 119.2638 51.8965 40.9333 172.2488 105 R 4.7792 7.9161 120.6249 54.0634 32.5366 175.4234 106 G 3.6664 7.0989 109.3383 45.6197 0.0000 172.8193 107 V 4.3452 8.2353 113.2131 60.8778 32.5856 176.6205 108 V 3.8519 8.2899 123.6311 62.6866 31.7923 176.5495 109 V 4.1381 8.1713 119.8300 62.2562 32.6111 176.0051 110 S 4.5680 7.6213 110.9935 57.3680 64.8927 173.7559 111 E 4.5590 8.6651 127.1960 54.9635 32.1248 173.6313 112 F 4.8729 8.8595 128.4542 56.3422 41.1689 174.5241 113 I 4.1450 7.1775 127.5392 58.9845 40.2243 175.3278 114 R 3.7269 8.0992 123.6599 56.4813 29.9188 175.9137 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 8 A 8.12 4.68 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 9 F 9.07 5.11 0.00 3.17 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 10 L 8.50 5.39 0.00 1.67 1.27 0.98 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 11 N 9.54 5.23 0.00 3.03 2.99 0.00 0.00 6.78 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 12 S 8.79 5.04 0.00 3.97 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 13 L 8.57 5.17 0.00 1.99 1.98 1.02 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 14 F 7.83 5.67 0.00 3.13 3.13 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 0.00 0.00 0.00 *16 D 8.58 4.96 0.00 2.76 2.80 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 17 F 9.54 5.27 0.00 2.94 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 18 T 8.87 4.25 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 1.28 0.00 0.00 19 S 7.53 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 20 E 8.37 3.95 0.00 2.12 1.97 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 2.40 2.46 0.00 21 N 8.12 4.33 0.00 2.79 2.88 0.00 0.00 7.16 7.66 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 22 E 8.27 4.20 0.00 2.34 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 2.44 2.61 0.00 23 L 7.47 2.85 0.00 1.36 1.68 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 24 E 8.33 3.91 0.00 2.01 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 2.57 2.45 0.00 25 L 7.87 4.07 0.00 1.87 2.18 1.04 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 26 F 8.28 3.40 0.00 2.70 2.70 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 27 L 7.94 3.95 0.00 1.77 1.69 0.88 1.25 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 28 K 7.89 4.30 0.00 1.91 1.87 0.00 1.66 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.60 7.81 29 S 7.83 4.75 0.00 3.72 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 30 L 8.01 4.01 0.00 1.69 1.78 0.85 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.04 4.74 0.00 2.67 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 32 E 8.34 4.10 0.00 2.08 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 2.36 2.26 0.00 33 V 7.60 3.80 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 -0.52 0.00 0.00 0.67 0.00 0.00 34 W 7.81 4.03 0.00 3.58 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 35 S 7.30 4.79 0.00 4.06 4.09 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 36 E 8.72 4.15 0.00 2.11 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 2.51 2.49 0.00 37 D 8.12 4.44 0.00 2.79 2.89 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 38 L 7.77 3.69 0.00 1.14 1.39 -0.11 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 39 Y 8.54 4.37 0.00 3.18 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 40 S 8.72 4.20 0.00 3.99 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 41 R 8.07 4.00 0.00 2.27 2.13 0.00 3.43 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.10 0.00 42 L 8.29 4.13 0.00 1.87 1.91 1.01 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.97 4.78 0.00 4.08 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 0.00 44 A 7.90 4.06 1.46 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 0.00 0.00 45 A 8.18 4.28 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 46 G 7.81 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 47 L 8.63 4.38 0.00 2.04 1.75 0.96 1.07 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 48 I 8.97 4.20 1.87 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.94 0.91 0.00 0.00 49 R 7.53 4.65 0.00 1.80 1.64 0.00 3.08 0.00 0.00 3.21 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 50 H 8.50 5.06 0.00 3.15 3.07 0.00 5.74 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 V 8.28 4.25 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 0.72 0.00 0.00 0.81 0.00 0.00 52 I 8.12 4.55 1.66 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 0.69 0.66 0.77 0.00 0.00 53 S 8.96 4.66 0.00 3.75 3.57 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.63 4.52 0.00 1.65 1.69 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.70 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.40 1.40 7.81 55 V 8.01 4.31 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.88 0.00 0.00 *56 W 8.69 4.33 0.00 2.56 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 0.00 0.00 0.00 57 N 7.92 4.98 0.00 2.69 2.78 0.00 0.00 7.03 7.66 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 *59 E 8.51 4.34 0.00 2.01 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 2.13 1.91 0.00 60 Q 7.63 4.63 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 7.14 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 61 H 8.37 4.87 0.00 3.25 3.30 0.00 5.57 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 R 8.20 5.09 0.00 1.98 1.74 0.00 2.86 0.00 0.00 2.89 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.84 0.00 63 I 8.35 4.79 1.91 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.22 0.88 0.00 0.00 64 S 8.93 5.44 0.00 3.84 3.71 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 *66 V 8.02 4.33 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.91 0.00 0.00 67 F 9.26 5.27 0.00 3.10 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 68 E 8.76 5.11 0.00 2.00 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 0.00 2.23 2.29 0.00 69 Y 9.16 5.52 0.00 3.20 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 70 D 9.33 4.83 0.00 2.73 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 71 S 7.85 4.64 0.00 4.16 4.02 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 72 K 8.17 3.25 0.00 1.79 1.86 0.00 1.79 0.00 0.00 1.82 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.10 7.81 73 E 8.09 4.16 0.00 2.02 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 0.00 2.38 2.39 0.00 74 G 8.22 3.68 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 0.00 0.00 0.00 75 Y 7.56 2.84 0.00 2.12 2.38 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 76 Q 7.82 3.49 0.00 2.10 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.57 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 77 K 8.08 3.82 0.00 1.79 1.76 0.00 1.51 0.00 0.00 1.61 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.51 7.81 78 C 7.87 4.11 0.00 3.06 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 79 Q 7.61 3.83 0.00 1.87 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 1.27 1.82 0.00 80 E 8.29 3.91 0.00 2.12 1.95 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 2.26 2.43 0.00 81 I 7.85 3.80 2.09 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 1.70 1.05 1.22 0.00 0.00 82 I 8.26 3.88 2.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.26 0.88 0.00 0.00 83 D 8.08 4.51 0.00 2.79 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.63 4.45 0.00 1.80 1.74 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.34 1.34 7.81 85 E 8.26 4.37 0.00 1.77 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.24 0.00 86 F 8.10 4.29 0.00 3.22 3.06 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 0.00 0.00 0.00 0.00 87 G 8.44 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 88 I 8.18 3.85 1.87 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 1.64 0.70 0.91 0.00 0.00 89 T 7.82 4.07 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 1.24 0.00 0.00 90 L 7.81 4.15 0.00 1.82 1.67 0.56 0.52 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 91 K 7.92 3.92 0.00 1.83 1.82 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.38 1.37 7.81 92 E 8.31 4.31 0.00 2.01 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 2.45 2.47 0.00 93 K 8.09 4.22 0.00 1.77 1.81 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.35 7.81 94 L 7.96 4.61 0.00 1.98 2.05 1.11 1.03 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 95 K 8.11 4.13 0.00 2.16 1.87 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.47 1.35 7.81 96 K 7.83 4.00 0.00 1.98 1.61 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.48 1.36 7.81 97 F 7.82 4.95 0.00 3.64 3.67 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 98 V 8.39 4.13 2.17 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 0.97 0.00 0.00 0.95 0.00 0.00 99 F 7.51 4.99 0.00 2.23 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 0.00 100 K 8.90 4.34 0.00 1.75 1.78 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.64 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.29 1.30 7.81 101 I 8.31 4.61 2.14 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.20 0.93 0.00 0.00 102 H 8.85 4.57 0.00 1.45 2.54 0.00 5.85 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 0.00 103 N 8.62 5.00 0.00 2.60 2.75 0.00 0.00 6.94 8.00 0.00 0.00 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 N 9.29 4.94 0.00 2.86 2.68 0.00 0.00 6.89 6.94 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 0.00 105 R 7.92 4.78 0.00 1.61 1.68 0.00 3.11 0.00 0.00 3.33 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 106 G 7.10 3.67 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 0.00 0.00 0.00 107 V 8.24 4.35 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.95 0.00 0.00 108 V 8.29 3.85 2.21 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 0.83 0.00 0.00 0.94 0.00 0.00 109 V 8.17 4.14 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 0.75 0.00 0.00 0.93 0.00 0.00 110 S 7.62 4.57 0.00 3.79 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 0.00 111 E 8.67 4.56 0.00 1.91 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 2.18 2.35 0.00 112 F 8.86 4.87 0.00 2.99 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 0.00 113 I 7.18 4.14 1.64 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 1.19 0.65 0.76 0.00 0.00 114 R 8.10 3.73 0.00 1.82 1.75 0.00 3.31 0.00 0.00 3.36 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 * Residues marked with a * may have inaccurate shift predictions.