NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.3937 8.1733 120.0848 56.8241 32.0503 174.8645 4 I 4.7480 7.6364 120.3850 58.7054 40.8037 174.5428 5 R 5.6487 9.1246 127.3100 54.4179 33.4962 174.9503 6 I 5.4487 8.0219 123.1003 59.2895 40.9086 174.9058 7 K 4.6527 8.3525 129.4775 54.6209 30.5861 175.1617 8 L 4.2384 8.5103 121.2396 54.9205 43.2941 176.9088 9 R 4.7619 8.5437 124.2093 54.3087 33.0117 175.3430 10 G 4.1887 8.3728 109.4069 45.8619 0.0000 172.3040 11 F 4.9897 8.8075 122.9397 59.9466 38.7106 174.5009 12 D 4.3724 8.3574 124.9387 55.0002 41.0155 177.0852 13 H 4.4567 8.6037 122.2155 56.9440 28.2382 176.6589 14 K 4.0785 8.7640 121.3102 58.9503 32.1935 178.2908 15 T 4.3687 7.6143 106.7163 61.3171 68.7985 174.5426 16 L 4.7358 7.5906 122.5432 55.1798 42.6209 176.2517 17 D 4.5691 8.0337 115.5902 55.1014 43.3818 177.0354 18 A 4.0223 7.5477 118.9011 55.1850 18.5722 179.6309 19 S 4.1497 8.0615 109.5860 60.9209 63.6940 175.3277 20 A 4.4652 7.5173 121.3586 52.0945 17.0910 177.4493 21 Q 4.4188 7.9054 119.0964 56.9449 30.8958 176.9938 22 K 4.0985 7.9079 117.6823 57.9251 32.4632 177.7103 23 I 4.7194 7.6887 117.3502 61.0980 37.3712 175.9032 24 V 4.3026 7.6197 120.0093 62.7170 33.0103 175.8282 25 E 4.5667 7.7220 116.0877 56.0062 31.4122 176.1481 26 A 4.6082 7.4219 120.2508 51.5453 18.9878 177.7639 27 A 4.5309 7.7025 116.4565 54.3873 22.6180 177.7283 28 R 4.7271 7.9659 116.4028 56.1236 31.1680 177.1543 29 R 4.5320 7.8604 114.3026 56.1766 31.2955 175.4644 30 S 4.6403 8.0902 112.3747 57.9728 62.2701 175.8042 31 G 4.3339 6.6558 117.4077 45.8399 0.0000 172.6680 32 A 4.8000 6.7476 118.5746 48.9123 23.7219 175.1655 33 Q 4.5203 8.7135 117.9490 56.0196 30.2799 176.0697 34 V 4.6874 8.1068 120.4966 61.2967 34.9945 173.8445 35 S 4.6287 8.7521 116.5518 55.9540 63.2890 173.9773 36 G 3.7465 8.7861 115.5628 45.3165 0.0000 169.8336 37 P 4.2044 0.0000 0.0000 63.2553 31.6241 175.8839 38 I 4.4044 8.4221 127.1339 57.9892 38.5247 171.5589 39 P 4.6326 0.0000 0.0000 62.2964 31.9419 176.7401 40 L 4.4724 7.8997 124.6304 53.3380 42.9933 174.7098 41 P 4.3191 0.0000 0.0000 63.0487 31.8102 176.1485 42 T 4.1793 8.3822 119.0487 63.2130 68.9219 174.6848 43 R 4.0224 8.5528 127.3452 56.6324 30.4604 176.0672 44 V 4.3000 8.1807 124.2286 61.9158 33.0270 175.1123 45 R 4.5379 8.4442 126.4594 54.6810 33.1424 173.8183 46 R 5.2800 8.5151 125.2649 53.8034 32.4615 175.2489 47 F 4.6132 9.1855 123.6094 56.4997 40.6775 175.0940 48 T 4.9855 8.4287 120.5830 62.0691 70.4019 174.1178 49 V 4.5295 7.7457 121.6160 60.5421 35.3839 173.1196 50 I 4.0951 8.3061 116.0853 60.3015 37.7867 175.7320 51 R 3.9925 8.9324 125.7343 59.1531 30.1192 177.8361 52 G 3.8895 7.9108 104.7561 45.0931 0.0000 171.4140 53 P 4.6319 0.0000 0.0000 63.3656 33.8763 176.6675 54 F 4.5862 8.7108 119.4370 58.7597 37.5630 176.3506 55 K 4.3917 8.7758 110.9895 56.6668 35.0894 177.0808 56 H 4.5617 8.0963 116.6446 55.2271 28.0294 174.0215 57 K 3.8760 7.3120 121.8066 54.4548 32.6031 173.3450 58 D 4.1180 9.0960 119.9038 55.2328 46.0832 177.9866 59 S 3.5507 8.5954 108.2703 60.3020 59.3599 171.6010 60 R 4.5061 7.6163 123.0118 54.9047 31.5916 174.2303 61 E 4.7776 8.0954 112.8216 55.4296 33.2497 174.0572 62 H 4.6603 8.5778 116.3122 54.1112 31.6823 173.5170 63 F 5.1949 8.5965 120.3122 57.6969 42.0212 174.1155 64 E 5.2194 8.5871 114.8586 56.6561 32.1558 175.4596 65 L 4.4882 9.5420 124.2894 53.4684 43.2150 173.1927 66 R 4.5953 8.2449 120.7022 55.2917 31.2154 176.3246 67 T 4.5888 8.8510 122.9219 62.5166 69.3998 173.4415 68 H 4.6735 8.6858 124.1814 55.4881 29.7394 174.8917 69 N 5.7900 8.6732 120.9027 52.0115 41.1093 174.4803 70 R 4.8701 8.2219 118.1130 54.7723 35.2268 173.7533 71 L 5.2207 8.2567 122.6089 52.3750 45.5917 175.6555 72 V 4.6102 8.1434 124.5242 62.1885 34.5157 172.5565 73 D 5.1175 8.6636 126.9026 52.6406 44.8842 175.5107 74 I 4.5154 7.7267 121.0742 60.4195 38.5575 176.5933 75 I 3.9139 8.8523 116.7430 63.4335 37.8344 176.1436 76 N 4.9703 7.7546 117.6481 49.8416 41.2324 174.1781 77 P 4.5287 0.0000 0.0000 65.0378 29.7698 176.9410 78 N 3.9891 7.4102 115.3426 53.2331 38.0883 176.5700 79 R 3.9785 8.6647 123.8893 58.5533 30.4699 177.8686 80 K 4.2384 7.9416 117.9198 58.0975 33.0648 178.2203 81 T 4.1057 7.6645 115.0406 65.7807 68.4031 176.4697 82 I 3.8464 7.6858 120.7019 63.0350 37.0404 176.9977 83 E 4.3191 7.8137 119.0166 58.4815 30.3933 176.9683 84 Q 4.2618 7.4481 116.6733 57.7845 30.0700 177.4329 85 L 4.7549 7.7219 118.2599 52.5760 41.8691 176.2194 86 M 4.8117 7.9337 113.7573 55.9369 35.2669 174.3374 87 T 4.6074 7.6228 104.5418 63.1859 74.2423 173.6940 88 L 4.2122 7.7389 123.7038 54.5902 40.5010 174.9113 89 D 4.7720 7.7992 122.8587 53.4393 45.0709 175.3428 90 L 4.4018 7.7660 119.0760 52.9768 42.4604 173.0694 91 P 4.5411 0.0000 0.0000 62.2705 33.6829 173.4167 92 T 3.6822 8.9174 117.1369 64.1655 66.3701 176.3074 93 G 4.0081 5.3800 109.6003 45.7268 0.0000 174.2809 94 V 4.6709 7.4134 117.6999 61.0946 35.3093 175.8647 95 E 4.5196 8.6931 127.1498 54.0140 30.1226 173.5415 96 I 4.2968 8.0482 116.4431 60.4807 36.8776 175.3539 97 E 4.5369 8.4232 129.2569 56.4135 31.4776 175.1721 98 I 5.7575 7.8833 121.0560 60.1957 41.8399 174.7451 99 K 4.6490 8.3418 122.6076 55.9753 36.4752 174.9213 100 T 5.8029 8.2684 117.7002 62.7929 72.7796 175.0031 *101 V 3.9215 8.2168 118.4214 61.2584 32.3498 174.9025 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 3 K 8.17 4.39 0.00 1.73 1.97 0.00 1.57 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.66 7.81 4 I 7.64 4.75 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 1.23 0.87 0.97 0.00 0.00 5 R 9.12 5.65 0.00 1.90 1.83 0.00 3.09 0.00 0.00 3.26 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.42 0.00 6 I 8.02 5.45 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 1.35 0.19 0.96 0.00 0.00 7 K 8.35 4.65 0.00 1.61 1.74 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.72 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.38 7.81 8 L 8.51 4.24 0.00 1.75 1.61 0.91 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 9 R 8.54 4.76 0.00 1.61 1.71 0.00 3.09 0.00 0.00 3.16 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.69 0.00 10 G 8.37 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 11 F 8.81 4.99 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 12 D 8.36 4.37 0.00 2.77 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 13 H 8.60 4.46 0.00 3.11 2.71 0.00 5.59 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 14 K 8.76 4.08 0.00 1.92 1.90 0.00 1.69 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.60 1.69 7.81 15 T 7.61 4.37 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 1.28 0.00 0.00 16 L 7.59 4.74 0.00 1.78 1.64 0.92 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 17 D 8.03 4.57 0.00 2.67 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 18 A 7.55 4.02 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 19 S 8.06 4.15 0.00 4.01 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 20 A 7.52 4.47 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 21 Q 7.91 4.42 0.00 2.03 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.77 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 22 K 7.91 4.10 0.00 1.88 1.84 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.55 7.81 23 I 7.69 4.72 1.87 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 1.29 0.87 0.91 0.00 0.00 24 V 7.62 4.30 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 0.83 0.00 0.00 0.96 0.00 0.00 25 E 7.72 4.57 0.00 2.13 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 2.22 2.20 0.00 26 A 7.42 4.61 1.28 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 0.00 0.00 0.00 27 A 7.70 4.53 1.28 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 0.00 0.00 0.00 28 R 7.97 4.73 0.00 1.98 1.88 0.00 3.33 0.00 0.00 3.22 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 29 R 7.86 4.53 0.00 1.77 1.87 0.00 3.44 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 30 S 8.09 4.64 0.00 4.01 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 0.00 31 G 6.66 4.33 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 0.00 32 A 6.75 4.80 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 33 Q 8.71 4.52 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.56 0.00 0.00 0.00 0.00 0.00 2.45 2.21 0.00 34 V 8.11 4.69 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 0.80 0.00 0.00 0.93 0.00 0.00 35 S 8.75 4.63 0.00 3.82 3.86 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 0.00 0.00 0.00 36 G 8.79 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 0.00 0.00 0.00 37 P 0.00 4.20 0.00 1.94 2.09 0.00 3.64 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 38 I 8.42 4.40 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 1.29 1.47 0.95 0.00 0.00 39 P 0.00 4.63 0.00 2.14 2.07 0.00 3.86 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 40 L 7.90 4.47 0.00 1.70 1.70 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.32 0.00 2.18 2.06 0.00 3.77 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 42 T 8.38 4.18 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 1.02 0.00 0.00 43 R 8.55 4.02 0.00 1.73 1.95 0.00 3.29 0.00 0.00 3.10 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.75 0.00 44 V 8.18 4.30 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 0.75 0.00 0.00 0.96 0.00 0.00 45 R 8.44 4.54 0.00 2.18 1.95 0.00 3.27 0.00 0.00 3.62 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.52 0.00 46 R 8.52 5.28 0.00 1.64 1.79 0.00 3.24 0.00 0.00 3.26 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.43 0.00 47 F 9.19 4.61 0.00 3.18 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 48 T 8.43 4.99 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 1.15 0.00 0.00 49 V 7.75 4.53 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 0.59 0.00 0.00 0.95 0.00 0.00 50 I 8.31 4.10 1.87 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 1.42 0.85 0.89 0.00 0.00 51 R 8.93 3.99 0.00 1.97 2.09 0.00 3.20 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.61 0.00 52 G 7.91 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 0.00 0.00 0.00 53 P 0.00 4.63 0.00 2.26 2.24 0.00 3.89 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.00 0.00 54 F 8.71 4.59 0.00 2.89 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 55 K 8.78 4.39 0.00 1.10 1.31 0.00 0.67 0.00 0.00 1.20 0.00 0.00 2.65 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.60 0.21 7.81 56 H 8.10 4.56 0.00 3.23 3.31 0.00 5.66 0.00 0.00 0.00 0.00 8.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 7.31 3.88 0.00 1.63 1.77 0.00 1.73 0.00 0.00 1.66 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.55 7.81 58 D 9.10 4.12 0.00 2.64 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 59 S 8.60 3.55 0.00 3.92 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 60 R 7.62 4.51 0.00 2.02 1.84 0.00 3.00 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.49 0.00 61 E 8.10 4.78 0.00 1.95 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 2.08 1.92 0.00 62 H 8.58 4.66 0.00 3.11 3.12 0.00 5.53 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 63 F 8.60 5.19 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 64 E 8.59 5.22 0.00 1.97 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 2.24 2.31 0.00 65 L 9.54 4.49 0.00 1.68 1.65 0.10 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 66 R 8.24 4.60 0.00 1.71 1.68 0.00 3.26 0.00 0.00 3.21 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 67 T 8.85 4.59 4.34 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 1.19 0.00 0.00 68 H 8.69 4.67 0.00 3.34 3.33 0.00 5.80 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.67 5.79 0.00 2.74 2.73 0.00 0.00 7.38 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 70 R 8.22 4.87 0.00 1.71 1.75 0.00 3.21 0.00 0.00 3.26 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 71 L 8.26 5.22 0.00 1.76 1.67 0.96 0.74 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 72 V 8.14 4.61 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 0.77 0.00 0.00 0.93 0.00 0.00 73 D 8.66 5.12 0.00 2.58 2.48 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 0.00 0.00 0.00 74 I 7.73 4.52 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 1.35 0.49 1.01 0.00 0.00 75 I 8.85 3.91 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 1.56 0.52 0.93 0.00 0.00 76 N 7.75 4.97 0.00 2.82 2.74 0.00 0.00 6.91 8.02 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 77 P 0.00 4.53 0.00 2.17 2.11 0.00 3.80 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 1.98 1.98 0.00 78 N 7.41 3.99 0.00 2.78 2.79 0.00 0.00 6.98 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 79 R 8.66 3.98 0.00 1.79 2.00 0.00 3.36 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 80 K 7.94 4.24 0.00 1.78 1.78 0.00 1.70 0.00 0.00 1.81 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.45 7.81 81 T 7.66 4.11 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 82 I 7.69 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 1.66 0.73 0.91 0.00 0.00 83 E 7.81 4.32 0.00 1.95 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 2.22 2.32 0.00 84 Q 7.45 4.26 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.93 0.00 0.00 0.00 0.00 0.00 2.40 2.75 0.00 85 L 7.72 4.75 0.00 1.59 1.55 0.98 0.60 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 86 M 7.93 4.81 0.00 1.88 2.18 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.58 0.00 87 T 7.62 4.61 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 88 L 7.74 4.21 0.00 1.60 1.75 0.92 1.16 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 89 D 7.80 4.77 0.00 2.65 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.77 4.40 0.00 1.52 1.56 0.92 0.94 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 91 P 0.00 4.54 0.00 2.20 2.02 0.00 3.80 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 92 T 8.92 3.68 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 1.22 0.00 0.00 93 G 5.38 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 94 V 7.41 4.67 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 0.79 0.00 0.00 0.93 0.00 0.00 95 E 8.69 4.52 0.00 2.08 1.76 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 2.12 2.21 0.00 96 I 8.05 4.30 1.86 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 1.33 0.97 0.90 0.00 0.00 97 E 8.42 4.54 0.00 2.10 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 2.35 2.26 0.00 98 I 7.88 5.76 1.86 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 1.35 0.86 0.97 0.00 0.00 99 K 8.34 4.65 0.00 1.60 1.68 0.00 1.63 0.00 0.00 1.81 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.39 7.81 100 T 8.27 5.80 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 1.24 0.00 0.00 *101 V 8.22 3.92 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 0.66 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.