NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -9 H 4.8334 8.2876 116.3271 55.4806 29.8091 173.6938 -8 H 4.2219 8.8251 114.6204 57.5163 28.8953 174.3876 -7 H 4.8194 8.9274 118.2730 55.7272 29.7796 177.7249 -6 E 4.1956 8.0131 122.7929 59.2628 29.3548 179.1348 -5 N 4.7905 8.0853 114.1889 54.8234 37.3924 176.1211 -4 L 4.1115 7.7932 118.1816 57.0104 42.0988 176.6336 -3 Y 4.4702 7.8069 119.9663 56.2458 39.7122 172.6684 -2 F 4.8356 8.3330 127.9850 57.3124 40.3682 175.7108 -1 Q 4.3213 7.9283 124.8555 55.8752 28.7635 176.4897 0 G 3.4661 5.3800 106.0958 46.3793 0.0000 172.8095 -7 I 4.2594 8.5074 119.9731 61.8272 39.5796 180.0249 -6 G 3.8056 7.9231 111.3929 47.7628 0.0000 177.4348 -5 V 4.1705 7.7153 114.6889 63.9234 31.3924 177.2211 -4 V 3.8915 7.6632 115.5816 64.1104 32.5988 175.3336 -3 A 4.2402 7.9269 123.4663 50.8458 21.0122 174.5684 -2 T 4.5656 8.1830 121.2850 61.4124 70.5682 174.6108 -1 L 4.3213 7.7683 126.8555 55.2752 41.7635 178.0897 0 K 3.8261 5.6600 117.6958 57.4793 34.6452 174.5095 10 V 4.3735 8.5572 126.0472 60.6477 34.4589 174.8983 11 Q 4.1018 8.8883 126.3065 55.3657 29.1954 175.5646 12 P 4.2066 0.0000 0.0000 65.7774 31.1996 178.3656 13 A 4.2272 8.0358 117.6005 53.7477 18.5738 178.5291 14 K 4.5160 7.9582 116.2672 56.1783 32.6903 177.8726 15 A 4.1831 7.9695 124.1277 55.3312 18.2793 180.3624 16 A 4.0096 8.0821 118.7501 55.2167 18.5164 179.2148 17 E 3.8504 8.1956 117.2353 59.3997 29.7603 178.4259 18 F 4.0855 8.3342 120.5651 61.6119 39.4179 176.9472 19 E 3.5510 8.6908 118.3304 58.9913 29.2511 179.2906 20 K 3.8694 8.0316 119.7070 59.4674 32.2829 179.0820 21 V 3.4805 7.5810 118.4170 65.8748 31.4269 177.7518 22 F 3.5500 8.0390 120.7529 61.1915 39.1823 177.1377 23 L 4.1498 8.3577 119.0658 57.6705 41.2264 179.0110 24 D 4.2567 8.0057 118.0848 57.0511 41.0952 177.9558 25 L 3.8348 7.8649 120.5993 58.2055 41.9989 178.7943 26 A 4.1072 8.2452 120.7995 55.1778 18.3426 179.4092 27 A 3.9226 8.0779 119.2221 55.2229 18.3556 180.0501 28 K 3.6406 7.6975 116.8039 59.3300 32.0143 179.5941 29 V 3.8897 7.8490 120.1235 65.6077 31.2232 178.2420 30 K 3.9618 8.0771 116.8594 59.4293 31.9488 178.9742 31 A 4.1177 7.9497 120.2525 54.4503 18.4340 178.5432 32 N 4.9424 8.2519 112.9872 52.6562 40.0155 175.0493 33 E 4.6139 7.9567 120.4572 53.3095 30.0845 174.6492 34 P 4.3760 0.0000 0.0000 65.0885 31.6983 178.0995 35 G 3.7246 8.1016 106.6262 46.4362 0.0000 172.0247 36 C 4.5203 7.8363 121.4504 58.2860 31.3775 173.0901 37 L 4.3802 8.6323 127.8087 56.4910 42.5857 177.8815 38 V 4.4093 7.3327 117.4625 61.6007 35.2137 174.1474 39 Y 5.2302 8.5498 128.1629 56.4723 40.0562 171.5661 40 Q 4.5142 9.1498 124.6658 53.2805 32.0911 173.6812 41 L 4.3680 8.6759 129.6931 55.2810 42.9306 175.9911 42 T 4.8432 8.7730 115.0965 60.1080 72.7163 172.5804 43 R 4.5203 8.3027 121.0942 54.0622 32.1933 176.2282 44 S 4.1654 8.3499 118.5135 58.7073 62.6269 174.4521 45 K 4.2787 8.7015 124.3850 57.4583 32.5073 177.5785 46 T 4.4517 7.6696 106.0328 60.6646 70.7191 173.4848 47 E 4.4826 8.2512 125.0237 54.5063 31.0125 175.8706 48 E 4.0992 8.6687 120.9672 57.0534 30.3809 173.7306 49 G 4.0356 8.6751 110.2930 45.1519 0.0000 172.4589 50 V 5.0141 7.3400 120.5428 61.8695 32.9795 174.4741 51 Y 5.0457 8.5525 124.0455 56.0537 41.7819 174.8854 52 K 5.2842 8.8555 121.2993 54.7801 35.4310 175.2674 53 V 4.4238 8.4068 125.2978 61.7405 32.8311 174.7835 54 L 4.7668 8.7741 128.6044 53.5404 43.1080 175.5004 55 E 5.2357 8.7238 122.5551 54.5498 33.6780 175.0640 56 L 4.8656 8.4632 123.8077 53.8696 44.5166 174.4243 57 Y 5.1251 8.5593 122.3971 55.9223 41.1538 176.5504 58 A 4.5076 9.2168 124.9612 54.0880 19.4822 177.6795 59 S 4.7297 7.8705 113.2491 58.9016 69.6957 176.7189 *61 D 4.4871 9.0080 117.9290 54.1935 42.4410 177.1219 62 A 4.0242 8.0882 120.6831 55.0026 18.3026 179.4617 63 L 3.1652 7.7859 118.8819 57.8161 41.8817 179.0176 64 K 3.7546 7.7881 117.9931 59.6971 32.4655 177.6686 65 H 4.1601 8.2909 118.4456 59.4705 29.9045 176.3988 66 H 4.0373 8.1947 120.1501 59.3966 29.4334 177.0571 67 G 3.0977 7.5616 104.5963 45.7241 0.0000 174.1026 68 G 3.9371 7.1864 108.3698 45.1617 0.0000 174.6260 69 T 3.8440 6.8868 111.1184 61.1914 70.6450 175.0924 70 D 4.3567 8.4031 122.9883 56.7870 39.4506 178.3541 71 Y 4.1666 7.5958 118.7712 59.5984 38.1400 177.6088 72 F 3.9778 7.5962 122.4924 61.0417 39.5159 177.2733 73 K 3.9103 8.1769 117.8831 59.3690 31.8329 179.2463 74 A 3.9475 8.1909 120.8556 55.0685 18.0947 179.5524 75 A 3.9600 7.9497 118.4156 55.1059 18.4967 179.6525 76 G 3.5714 7.7155 103.0741 47.9753 0.0000 175.3586 77 A 4.1781 7.7426 121.9299 54.5979 18.3656 179.1872 78 A 4.2406 7.5432 116.0389 52.8150 18.2046 178.6771 *80 G 3.9899 7.9595 110.4726 46.6386 0.0000 174.3246 81 P 4.0923 0.0000 0.0000 64.3267 32.1894 177.0880 82 T 4.1600 7.3413 111.3441 60.4401 67.6193 175.4825 *84 A 4.2306 7.6731 124.0201 52.7523 21.0049 176.5610 85 G 4.0030 7.4129 101.5485 44.5071 0.0000 172.5914 86 A 4.1536 8.3292 122.7738 51.0475 18.9114 175.8772 87 P 5.0405 0.0000 0.0000 62.9248 32.5579 175.9030 88 V 4.3468 8.2574 120.7015 61.3809 33.5816 174.4242 89 I 4.5391 8.3954 128.7004 59.4064 39.2050 174.6361 90 E 4.5510 8.5147 127.2628 54.5769 31.6004 174.4703 91 Y 4.9260 8.5862 124.4537 57.0437 39.5794 175.0104 92 L 4.8283 8.3802 121.3447 53.0757 46.0600 175.6933 93 D 4.1323 8.3847 122.0201 52.7540 41.3347 176.3770 94 A 4.0921 8.6003 127.4419 51.8616 19.2134 176.3160 95 V 4.4268 8.2660 122.2184 61.1085 33.0943 175.5430 96 E 4.2918 8.6314 123.9781 56.6151 29.6179 175.0696 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 8.29 4.83 0.00 3.43 3.58 0.00 5.62 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -8 H 8.83 4.22 0.00 3.34 3.43 0.00 5.51 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -7 H 8.93 4.82 0.00 3.25 3.34 0.00 5.63 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -6 E 8.01 4.20 0.00 2.01 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 2.21 1.98 0.00 -5 N 8.09 4.79 0.00 2.84 2.99 0.00 0.00 6.44 7.79 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 -4 L 7.79 4.11 0.00 1.84 1.86 0.94 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 -3 Y 7.81 4.47 0.00 2.94 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 -2 F 8.33 4.84 0.00 3.15 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 -1 Q 7.93 4.32 0.00 1.94 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.46 0.00 0.00 0.00 0.00 0.00 2.52 2.61 0.00 0 G 5.38 3.47 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 0.00 -7 I 8.51 4.26 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 1.41 0.91 0.91 0.00 0.00 -6 G 7.92 3.81 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 0.00 -5 V 7.72 4.17 2.08 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 1.06 0.00 0.00 0.93 0.00 0.00 -4 V 7.66 3.89 2.08 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 0.90 0.00 0.00 0.93 0.00 0.00 -3 A 7.93 4.24 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 -2 T 8.18 4.57 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 1.21 0.00 0.00 -1 L 7.77 4.32 0.00 1.44 1.63 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0 K 5.66 3.83 0.00 1.59 1.50 0.00 0.61 0.00 0.00 1.82 0.00 0.00 2.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.34 7.81 10 V 8.56 4.37 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 0.85 0.00 0.00 -0.33 0.00 0.00 11 Q 8.89 4.10 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.52 0.00 0.00 0.00 0.00 0.00 2.37 2.50 0.00 12 P 0.00 4.21 0.00 2.15 2.11 0.00 3.59 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.15 0.00 13 A 8.04 4.23 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 14 K 7.96 4.52 0.00 1.81 1.84 0.00 1.83 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.43 7.81 15 A 7.97 4.18 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.08 4.01 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 17 E 8.20 3.85 0.00 2.08 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 2.42 2.39 0.00 18 F 8.33 4.09 0.00 3.15 3.24 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 19 E 8.69 3.55 0.00 2.02 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 2.35 2.70 0.00 20 K 8.03 3.87 0.00 1.92 1.91 0.00 1.75 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 1.32 7.81 21 V 7.58 3.48 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 0.86 0.00 0.00 0.97 0.00 0.00 22 F 8.04 3.55 0.00 2.30 2.55 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 23 L 8.36 4.15 0.00 1.74 1.72 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 24 D 8.01 4.26 0.00 2.83 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 25 L 7.86 3.83 0.00 1.62 1.44 1.06 0.85 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 26 A 8.25 4.11 1.61 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 27 A 8.08 3.92 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 28 K 7.70 3.64 0.00 1.57 0.82 0.00 1.54 0.00 0.00 1.28 0.00 0.00 2.78 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.15 1.37 7.81 29 V 7.85 3.89 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 0.86 0.00 0.00 0.84 0.00 0.00 30 K 8.08 3.96 0.00 1.76 1.87 0.00 1.81 0.00 0.00 1.78 0.00 0.00 3.41 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.53 1.68 7.81 31 A 7.95 4.12 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 32 N 8.25 4.94 0.00 2.81 2.95 0.00 0.00 6.83 8.24 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 33 E 7.96 4.61 0.00 2.23 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 2.40 2.39 0.00 34 P 0.00 4.38 0.00 2.18 2.19 0.00 3.77 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 1.99 1.97 0.00 35 G 8.10 3.72 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 0.00 0.00 0.00 36 C 7.84 4.52 0.00 3.10 2.97 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 37 L 8.63 4.38 0.00 1.58 1.68 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 38 V 7.33 4.41 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 1.03 0.00 0.00 0.92 0.00 0.00 39 Y 8.55 5.23 0.00 2.94 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 40 Q 9.15 4.51 0.00 2.17 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.78 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 41 L 8.68 4.37 0.00 1.51 1.54 0.26 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 42 T 8.77 4.84 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 43 R 8.30 4.52 0.00 1.57 1.56 0.00 3.15 0.00 0.00 2.99 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.60 0.00 44 S 8.35 4.17 0.00 3.76 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 45 K 8.70 4.28 0.00 1.74 1.80 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.37 7.81 46 T 7.67 4.45 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 1.18 0.00 0.00 47 E 8.25 4.48 0.00 2.04 1.83 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 2.22 2.08 0.00 48 E 8.67 4.10 0.00 1.98 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 2.23 1.88 0.00 49 G 8.68 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 0.00 0.00 0.00 50 V 7.34 5.01 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 0.96 0.00 0.00 0.87 0.00 0.00 51 Y 8.55 5.05 0.00 2.65 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 52 K 8.86 5.28 0.00 1.64 1.64 0.00 1.61 0.00 0.00 1.54 0.00 0.00 2.78 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.30 7.81 53 V 8.41 4.42 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 0.55 0.00 0.00 0.76 0.00 0.00 54 L 8.77 4.77 0.00 1.59 1.55 0.90 0.65 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 55 E 8.72 5.24 0.00 2.01 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 2.11 2.29 0.00 56 L 8.46 4.87 0.00 1.67 1.35 1.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 57 Y 8.56 5.13 0.00 3.00 2.88 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 58 A 9.22 4.51 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 59 S 7.87 4.73 0.00 4.07 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 *61 D 9.01 4.49 0.00 2.77 2.81 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 62 A 8.09 4.02 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 63 L 7.79 3.17 0.00 1.35 1.42 0.43 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 64 K 7.79 3.75 0.00 1.73 1.94 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.45 7.81 65 H 8.29 4.16 0.00 3.27 3.44 0.00 5.85 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 H 8.19 4.04 0.00 3.37 3.17 0.00 5.83 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 G 7.56 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 0.00 0.00 0.00 68 G 7.19 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 69 T 6.89 3.84 3.37 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 0.81 0.00 0.00 70 D 8.40 4.36 0.00 2.90 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 71 Y 7.60 4.17 0.00 3.21 3.23 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 72 F 7.60 3.98 0.00 2.82 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 73 K 8.18 3.91 0.00 1.85 1.84 0.00 1.73 0.00 0.00 1.66 0.00 0.00 3.20 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.55 1.69 7.81 74 A 8.19 3.95 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 75 A 7.95 3.96 1.21 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 76 G 7.72 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 0.00 0.00 0.00 77 A 7.74 4.18 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 78 A 7.54 4.24 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 *80 G 7.96 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 81 P 0.00 4.09 0.00 2.07 2.14 0.00 3.81 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 2.04 2.08 0.00 82 T 7.34 4.16 4.31 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 1.30 0.00 0.00 *84 A 7.67 4.23 1.29 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 0.00 0.00 85 G 7.41 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.33 4.15 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 87 P 0.00 5.04 0.00 2.11 2.08 0.00 3.72 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 88 V 8.26 4.35 2.06 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 0.82 0.00 0.00 0.92 0.00 0.00 89 I 8.40 4.54 1.77 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 1.21 0.55 0.30 0.00 0.00 90 E 8.51 4.55 0.00 1.88 1.74 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 2.15 2.28 0.00 91 Y 8.59 4.93 0.00 2.91 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 92 L 8.38 4.83 0.00 1.47 1.47 0.91 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 93 D 8.38 4.13 0.00 1.92 1.54 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 0.00 0.00 0.00 0.00 94 A 8.60 4.09 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 95 V 8.27 4.43 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 0.91 0.00 0.00 0.92 0.00 0.00 96 E 8.63 4.29 0.00 2.34 1.88 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 2.16 1.85 0.00 * Residues marked with a * may have inaccurate shift predictions.