NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4594 8.3349 115.4154 58.0012 64.3059 171.3924 3 N 4.8765 7.5862 116.0335 53.0548 42.9040 172.6359 4 T 4.8007 9.0413 114.9709 62.8672 73.2587 173.5750 5 L 4.8593 8.2625 122.2691 53.8058 43.8807 176.2160 6 F 4.5948 7.3945 117.6027 57.6184 42.4427 171.8408 7 D 5.6057 8.6255 124.7712 50.9392 44.6908 174.1187 8 D 4.8018 8.1285 126.4473 54.2315 44.5123 175.3278 9 I 4.6934 7.6275 126.6003 60.8715 38.9301 174.7200 10 F 5.1594 10.3896 124.8221 55.6588 42.9826 173.9190 11 Q 5.0111 9.4082 123.9292 54.2612 31.2060 174.7471 12 V 4.0990 8.5546 128.2735 63.1313 31.8335 176.4783 13 S 4.4129 8.7683 124.0416 60.2895 64.3531 174.2919 14 E 4.7506 7.9632 119.1958 54.1605 33.5749 174.5423 15 V 4.3903 8.3619 123.6604 61.3523 34.2796 173.8747 16 D 4.8782 8.8195 129.0060 51.7371 42.9686 174.1306 17 P 4.9217 0.0000 0.0000 61.4154 29.6916 176.1983 18 G 3.8111 8.3493 112.1892 46.9682 0.0000 171.4365 19 R 3.8178 8.3439 129.0965 57.1095 27.8217 176.2196 20 Y 4.8492 7.8543 112.1942 56.6914 41.9735 175.3020 21 N 4.9475 8.9561 118.6106 53.3168 40.4719 175.3036 22 K 4.7427 8.0614 116.0036 55.7149 34.5214 175.4682 23 V 4.9266 7.7645 118.9413 61.5650 34.8119 174.0457 24 C 4.9728 8.8366 123.1742 58.0690 33.1749 173.1034 25 R 4.7042 9.1980 123.7970 55.1807 30.9941 175.0816 26 I 4.6293 8.8943 128.5821 60.3577 39.4447 175.1089 27 E 5.3782 9.1766 125.4100 53.5140 32.2313 173.7439 28 A 5.2886 8.4678 128.2620 50.1484 22.5071 175.2335 29 A 4.6928 9.0591 123.6684 51.3617 20.9789 175.9876 30 S 4.4423 8.1281 114.3728 57.2006 63.6550 173.7685 31 T 3.8003 7.7414 123.6135 65.5919 68.7915 172.6327 32 T 3.4603 9.1994 125.0442 62.7479 64.9657 172.4025 33 Q 4.3462 8.5309 131.4941 55.0045 29.2909 176.4352 34 D 4.4930 8.7311 124.2436 57.1677 41.1793 178.5536 35 Q 4.0942 8.1324 117.3494 58.7540 29.0229 176.2814 36 C 5.3803 8.0890 119.2451 58.4429 32.7964 173.0006 37 K 4.9748 8.7176 124.0139 54.6775 36.9186 174.6938 38 L 5.0137 8.5784 122.8302 53.7271 45.9309 175.1925 39 T 5.0399 8.4554 121.2484 61.7440 71.9013 172.7526 40 L 5.1251 9.3197 127.6168 53.6485 46.3881 174.0927 41 D 5.2543 8.6091 124.0348 52.8201 42.4346 176.0842 42 I 4.4248 8.4900 124.0255 59.3403 41.4602 174.9233 43 N 5.7392 8.6835 124.0095 52.3266 37.5177 175.3732 44 V 3.9462 8.3024 122.9876 63.8357 31.5795 175.9990 45 E 4.2220 8.5226 119.9333 58.9887 29.9567 176.9554 46 L 4.4650 8.5006 117.4578 56.0294 42.1619 176.9002 47 F 4.7588 8.6448 120.9732 55.1382 39.7303 171.7418 48 P 4.3008 0.0000 0.0000 62.6608 31.9232 175.0526 49 V 4.1031 7.1718 117.4447 62.7507 34.3013 171.2863 50 A 4.1256 7.8090 121.0228 51.8728 22.8654 175.0574 51 A 3.8703 8.7635 120.5531 53.6292 17.9479 176.4124 52 Q 3.6101 8.4304 123.6724 56.8395 26.0502 172.9263 53 D 5.1304 7.8781 120.2733 52.2095 45.2366 175.3271 54 S 4.8275 8.6716 116.2256 57.3240 62.8205 172.4977 55 L 4.7713 9.3561 127.2111 53.8296 43.9134 175.6383 56 T 4.7792 8.2252 120.7987 62.3594 70.1726 174.1068 57 V 5.0574 8.9736 126.3082 61.8673 35.0847 174.3556 58 T 5.3082 8.4595 119.9988 64.2898 72.9356 172.1833 59 I 4.7624 9.1992 123.0373 57.5730 38.6805 180.3054 60 A 3.8085 8.9021 133.0243 54.3981 17.4910 177.8196 61 S 5.4667 8.2108 100.5000 58.1958 65.2451 176.0033 62 S 4.4742 7.1385 124.2454 58.8851 66.7630 178.4042 63 L 4.1115 8.4061 113.2855 54.8712 38.4186 176.6440 *76 T 4.1366 7.4976 116.7141 63.0570 70.3878 170.8737 77 R 3.8562 8.3840 127.0142 54.9789 30.4723 176.6648 78 S 4.2091 8.7598 116.0796 58.2951 63.2396 174.2299 79 W 4.2457 8.8229 133.3623 57.6140 31.0816 174.8188 80 R 4.4379 7.3230 122.0805 53.5083 33.5656 172.0951 81 P 3.9657 0.0000 0.0000 62.7219 34.0116 177.6965 82 P 4.4795 0.0000 0.0000 63.1073 31.8952 175.8125 83 Q 3.8201 8.7234 115.0923 56.9675 27.0538 174.8327 84 A 4.1064 7.5813 117.1968 53.4007 18.3993 178.9837 85 G 3.5473 7.9739 105.1011 47.4033 0.0000 173.8255 86 D 4.9961 8.0518 118.3693 53.7148 42.7639 175.6602 87 R 4.6082 8.5802 118.9967 54.6116 30.9715 175.6233 88 S 4.1891 8.4554 121.0477 60.0832 63.5976 174.8949 89 L 4.5401 7.5871 113.7235 54.7945 43.7762 175.5840 90 A 4.4572 7.9126 123.5215 52.2437 18.0170 177.5933 91 D 4.9883 7.9047 116.4606 54.8658 40.2372 177.2978 92 D 4.6471 8.3539 117.2693 55.8887 40.8761 175.0830 93 Y 4.8977 7.5634 116.3501 56.5714 41.2283 173.8675 94 D 4.9058 9.1722 118.2539 56.3809 42.3178 176.4560 95 Y 4.4323 7.5447 119.2246 56.0401 40.7298 173.9263 96 V 4.9626 7.2997 124.5451 61.8966 34.9334 173.2191 97 M 4.8912 9.1687 125.7033 53.8143 36.7308 173.3086 98 Y 5.0911 8.4182 120.1701 56.5712 42.3127 174.6292 99 G 3.5148 6.9777 109.3169 45.9251 0.0000 171.9630 100 T 4.8709 7.9451 114.7700 60.4220 71.8011 173.6813 101 A 4.2482 8.3415 127.9821 51.1671 19.6887 175.2346 102 Y 4.5161 8.1050 117.4040 57.7423 40.2795 175.7617 103 K 4.7592 7.0684 121.9663 53.6917 35.5022 173.8319 104 F 5.0406 9.1180 125.6727 56.1216 40.4273 174.9552 105 E 4.7817 9.2314 123.3828 54.6317 33.5953 175.8073 106 E 4.5863 8.6866 122.4951 54.8951 28.2962 177.3799 107 V 3.5850 7.9917 122.6478 63.4468 31.6473 176.8273 108 S 4.0532 8.0810 112.6378 58.7581 63.5748 169.5936 109 K 4.2026 8.1950 119.4615 56.5015 31.1328 174.0716 110 D 4.8452 8.4751 112.0065 53.5296 39.9124 175.8180 111 L 5.1181 7.3907 116.0580 54.9103 46.4936 176.6761 112 I 4.7285 9.1003 121.0898 59.9722 42.1310 173.9141 113 A 5.6327 9.0307 126.5312 49.4992 22.9218 175.1046 114 V 4.3823 7.4147 110.1119 59.9094 36.7508 174.0413 115 Y 5.0116 7.9700 119.0592 56.4405 41.1910 174.4959 116 Y 4.6827 9.1021 121.1577 55.9884 42.5330 174.6567 117 S 4.6887 8.5567 116.1931 56.7501 65.3986 173.7511 118 F 4.3502 10.1316 129.8523 56.8616 37.2107 176.1900 119 G 4.0775 9.0994 111.3006 46.9312 0.0000 171.8207 120 G 4.0724 7.7397 109.5566 45.2065 0.0000 175.1870 121 L 4.2837 8.3005 121.1370 54.5495 42.6501 176.6470 122 L 4.9507 9.7281 124.6756 53.8261 44.7245 175.4263 123 M 5.8991 8.7532 119.9867 54.7312 36.4542 173.2806 124 R 4.7617 8.6565 125.7891 54.2701 33.3290 173.4828 125 L 4.8191 8.4262 128.3459 53.0200 44.9173 174.3139 126 E 4.9499 8.1925 126.6104 53.3606 32.4465 173.0397 127 G 4.2403 8.7355 118.4500 46.3443 0.0000 173.2391 128 N 4.2844 7.8310 127.7396 52.9516 42.9904 175.3107 129 Y 4.4289 7.1384 115.6322 58.8731 38.0565 177.3283 130 R 4.0320 7.4180 119.6544 57.7911 30.0525 177.4888 131 N 4.2814 7.6584 116.5151 55.8912 38.5570 175.4452 132 L 4.5116 7.2733 117.8534 56.7231 42.7956 177.8890 133 N 4.4784 8.3200 114.2683 55.5655 38.7581 174.7130 134 N 4.8988 8.1795 116.8953 51.7326 40.1736 175.5489 135 L 4.4229 8.4337 124.8611 55.0874 42.3617 176.9763 136 K 4.3287 8.4670 117.9696 56.7963 33.9888 175.3996 137 Q 4.6226 7.6795 115.3876 54.0687 31.8468 173.6043 138 E 3.6418 8.5461 116.9392 59.7095 29.8924 175.7191 139 N 4.1218 6.9884 115.3748 49.6344 39.9106 174.4761 140 A 5.6346 8.4848 132.1561 52.7287 21.9941 174.8556 141 Y 5.1217 8.4165 119.2397 57.5601 41.0238 174.7912 142 L 4.9128 9.4746 124.8339 53.4048 44.8755 174.9771 143 L 4.9534 8.8776 126.7218 52.8751 44.5570 175.8044 144 I 5.8907 9.0038 123.3862 58.6491 41.4203 174.5342 145 R 5.1667 8.6157 119.9531 55.3389 33.3766 175.3232 146 R 4.1256 9.4987 118.8075 57.0122 30.9134 176.2393 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 2 S 8.33 4.46 0.00 4.00 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 3 N 7.59 4.88 0.00 2.79 2.79 0.00 0.00 6.98 6.65 0.00 0.00 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 T 9.04 4.80 4.29 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 1.29 0.00 0.00 5 L 8.26 4.86 0.00 1.78 2.01 1.12 0.91 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 6 F 7.39 4.59 0.00 3.20 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 7 D 8.63 5.61 0.00 2.65 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 0.00 0.00 0.00 8 D 8.13 4.80 0.00 2.52 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 7.63 4.69 1.82 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 1.39 0.90 0.94 0.00 0.00 10 F 10.39 5.16 0.00 3.02 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 11 Q 9.41 5.01 0.00 2.14 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.99 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 12 V 8.55 4.10 2.22 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 0.90 0.00 0.00 1.01 0.00 0.00 13 S 8.77 4.41 0.00 3.95 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 14 E 7.96 4.75 0.00 2.01 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 2.27 2.30 0.00 15 V 8.36 4.39 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 0.92 0.00 0.00 16 D 8.82 4.88 0.00 2.87 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 17 P 0.00 4.92 0.00 2.15 2.08 0.00 3.84 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.96 0.00 18 G 8.35 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 19 R 8.34 3.82 0.00 1.80 1.76 0.00 3.23 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.49 0.00 20 Y 7.85 4.85 0.00 3.00 2.75 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 21 N 8.96 4.95 0.00 2.72 2.86 0.00 0.00 6.76 7.61 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 22 K 8.06 4.74 0.00 1.71 1.79 0.00 1.66 0.00 0.00 1.96 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.55 1.44 7.81 23 V 7.76 4.93 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 0.55 0.00 0.00 0.86 0.00 0.00 24 C 8.84 4.97 0.00 2.86 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 25 R 9.20 4.70 0.00 1.93 1.81 0.00 3.09 0.00 0.00 3.18 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.72 0.00 26 I 8.89 4.63 1.79 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.50 0.86 0.00 0.00 27 E 9.18 5.38 0.00 2.02 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 2.19 2.18 0.00 28 A 8.47 5.29 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 29 A 9.06 4.69 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 30 S 8.13 4.44 0.00 3.46 3.85 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 0.00 0.00 0.00 31 T 7.74 3.80 4.15 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 0.00 0.00 1.17 0.00 0.00 32 T 9.20 3.46 4.15 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 0.00 0.00 1.13 0.00 0.00 33 Q 8.53 4.35 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.13 6.85 0.00 0.00 0.00 0.00 0.00 2.38 2.33 0.00 34 D 8.73 4.49 0.00 2.67 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 35 Q 8.13 4.09 0.00 2.10 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.93 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 36 C 8.09 5.38 0.00 3.15 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 37 K 8.72 4.97 0.00 1.72 1.67 0.00 1.68 0.00 0.00 1.77 0.00 0.00 2.79 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.47 1.44 7.81 38 L 8.58 5.01 0.00 1.17 1.25 0.53 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.46 5.04 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 1.26 0.00 0.00 40 L 9.32 5.13 0.00 1.48 1.27 0.85 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.61 5.25 0.00 2.60 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 8.49 4.42 1.74 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.44 0.69 0.00 0.00 43 N 8.68 5.74 0.00 2.94 2.97 0.00 0.00 6.71 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 44 V 8.30 3.95 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 0.92 0.00 0.00 1.01 0.00 0.00 45 E 8.52 4.22 0.00 2.01 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 0.00 2.30 2.35 0.00 46 L 8.50 4.46 0.00 1.84 1.83 0.91 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 47 F 8.64 4.76 0.00 3.42 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 48 P 0.00 4.30 0.00 1.90 1.91 0.00 3.55 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.21 0.00 49 V 7.17 4.10 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 0.69 0.00 0.00 0.97 0.00 0.00 50 A 7.81 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.76 3.87 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 52 Q 8.43 3.61 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.63 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 53 D 7.88 5.13 0.00 2.58 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 54 S 8.67 4.83 0.00 3.90 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 55 L 9.36 4.77 0.00 1.72 1.73 0.97 0.94 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 56 T 8.23 4.78 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 1.33 0.00 0.00 57 V 8.97 5.06 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 1.00 0.00 0.00 0.90 0.00 0.00 58 T 8.46 5.31 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 1.31 0.00 0.00 59 I 9.20 4.76 1.95 0.00 0.00 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 1.03 1.00 0.88 0.00 0.00 60 A 8.90 3.81 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 61 S 8.21 5.47 0.00 4.12 4.05 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 62 S 7.14 4.47 0.00 3.87 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 63 L 8.41 4.11 0.00 1.60 1.63 0.90 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 *76 T 7.50 4.14 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 1.28 0.00 0.00 77 R 8.38 3.86 0.00 1.99 1.96 0.00 3.25 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 78 S 8.76 4.21 0.00 4.04 3.95 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 79 W 8.82 4.25 0.00 3.23 3.21 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 80 R 7.32 4.44 0.00 1.46 1.52 0.00 3.09 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.44 0.00 81 P 0.00 3.97 0.00 1.92 1.40 0.00 3.26 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.62 0.00 82 P 0.00 4.48 0.00 2.16 1.96 0.00 3.71 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 1.92 1.94 0.00 83 Q 8.72 3.82 0.00 2.24 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.05 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 84 A 7.58 4.11 1.23 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 0.00 0.00 85 G 7.97 3.55 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 86 D 8.05 5.00 0.00 2.60 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 87 R 8.58 4.61 0.00 1.68 1.60 0.00 3.21 0.00 0.00 3.24 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.49 0.00 88 S 8.46 4.19 0.00 3.95 3.90 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 0.00 0.00 0.00 0.00 89 L 7.59 4.54 0.00 1.60 1.91 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 90 A 7.91 4.46 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 91 D 7.90 4.99 0.00 2.89 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 92 D 8.35 4.65 0.00 2.47 2.46 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 93 Y 7.56 4.90 0.00 2.90 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 94 D 9.17 4.91 0.00 2.84 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 95 Y 7.54 4.43 0.00 1.77 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 0.00 0.00 0.00 96 V 7.30 4.96 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 0.88 0.00 0.00 97 M 9.17 4.89 0.00 1.66 1.11 0.00 0.00 0.00 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.15 0.00 98 Y 8.42 5.09 0.00 2.36 2.62 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 99 G 6.98 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.95 4.87 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 1.12 0.00 0.00 101 A 8.34 4.25 0.06 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 0.00 0.00 102 Y 8.10 4.52 0.00 2.98 2.90 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 0.00 0.00 0.00 0.00 103 K 7.07 4.76 0.00 1.95 1.69 0.00 1.74 0.00 0.00 1.98 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.53 7.81 104 F 9.12 5.04 0.00 2.81 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 0.00 105 E 9.23 4.78 0.00 2.03 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 2.29 2.37 0.00 106 E 8.69 4.59 0.00 2.05 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 2.38 2.32 0.00 107 V 7.99 3.59 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 0.88 0.00 0.00 0.87 0.00 0.00 108 S 8.08 4.05 0.00 4.26 4.18 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 0.00 0.00 0.00 0.00 109 K 8.19 4.20 0.00 1.91 1.88 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.42 7.81 110 D 8.48 4.85 0.00 2.85 2.75 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 0.00 111 L 7.39 5.12 0.00 1.68 1.53 0.98 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 112 I 9.10 4.73 1.83 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 1.17 0.53 0.98 0.00 0.00 113 A 9.03 5.63 0.95 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 0.00 0.00 114 V 7.41 4.38 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 -0.37 0.00 0.00 0.68 0.00 0.00 115 Y 7.97 5.01 0.00 1.83 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 0.00 0.00 0.00 116 Y 9.10 4.68 0.00 2.72 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 0.00 0.00 0.00 0.00 117 S 8.56 4.69 0.00 4.02 3.64 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 0.00 118 F 10.13 4.35 0.00 3.31 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 0.00 119 G 9.10 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 0.00 0.00 0.00 120 G 7.74 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 L 8.30 4.28 0.00 1.90 1.85 0.98 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 122 L 9.73 4.95 0.00 1.80 1.70 0.97 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 123 M 8.75 5.90 0.00 2.34 1.90 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.23 0.00 124 R 8.66 4.76 0.00 1.88 1.62 0.00 3.20 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.50 0.00 125 L 8.43 4.82 0.00 1.44 1.14 0.73 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 126 E 8.19 4.95 0.00 1.97 1.71 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 2.14 2.15 0.00 127 G 8.74 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 0.00 0.00 0.00 0.00 128 N 7.83 4.28 0.00 2.76 2.76 0.00 0.00 6.66 7.56 0.00 0.00 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 7.14 4.43 0.00 3.32 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 0.00 130 R 7.42 4.03 0.00 1.78 2.02 0.00 2.95 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.11 0.00 131 N 7.66 4.28 0.00 2.71 2.98 0.00 0.00 6.88 9.18 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 0.00 132 L 7.27 4.51 0.00 1.75 1.77 0.98 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 133 N 8.32 4.48 0.00 2.92 3.37 0.00 0.00 6.77 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 0.00 134 N 8.18 4.90 0.00 2.92 2.89 0.00 0.00 7.21 8.48 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 0.00 135 L 8.43 4.42 0.00 1.87 1.85 1.10 0.89 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 0.00 136 K 8.47 4.33 0.00 1.54 1.63 0.00 1.58 0.00 0.00 1.60 0.00 0.00 2.82 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.07 0.98 7.81 137 Q 7.68 4.62 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.77 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 138 E 8.55 3.64 0.00 1.98 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 0.00 2.34 2.28 0.00 139 N 6.99 4.12 0.00 2.93 3.00 0.00 0.00 6.72 7.35 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 0.00 140 A 8.48 5.63 1.60 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 0.00 141 Y 8.42 5.12 0.00 2.98 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 0.00 142 L 9.47 4.91 0.00 1.38 1.03 0.79 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 143 L 8.88 4.95 0.00 0.54 0.13 0.86 0.30 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 0.00 144 I 9.00 5.89 1.57 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.18 0.86 0.00 0.00 145 R 8.62 5.17 0.00 1.87 2.10 0.00 2.90 0.00 0.00 2.60 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 146 R 9.50 4.13 0.00 1.92 1.94 0.00 3.20 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 * Residues marked with a * may have inaccurate shift predictions.