NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 20 G 3.9590 8.3544 109.7458 45.2227 0.0000 174.5430 21 I 3.9825 7.2988 119.2197 60.5434 38.4075 176.4915 22 F 4.1149 8.0369 118.7003 60.9200 39.2638 176.5171 23 F 4.0579 8.2550 119.7335 60.9992 39.2866 175.1474 24 P 4.0008 0.0000 0.0000 65.5375 30.8602 178.4374 25 A 3.9014 7.8347 118.6605 54.6833 18.4978 179.1863 26 L 4.2115 7.5796 117.2437 57.2240 41.8368 178.7998 27 E 3.9644 8.0496 119.0282 59.1445 29.5049 177.4355 28 Q 4.4061 7.9033 114.7440 55.4211 28.9261 175.3863 29 N 4.4589 7.6020 117.4422 53.8147 39.3752 175.2241 30 M 4.2029 8.4597 123.3583 57.7803 32.5360 176.6296 31 M 4.4299 8.3813 118.9866 54.0521 33.3261 176.7831 32 G 3.7590 8.7966 109.8876 46.7245 0.0000 172.1127 33 A 5.3126 9.1613 125.6033 49.9082 22.4228 175.0766 34 V 4.7508 8.8674 121.9393 61.0589 35.0262 173.7499 35 L 5.4577 9.1648 130.6320 53.3364 44.3581 174.9567 36 I 5.1643 8.9996 120.1684 59.3718 40.9251 175.7577 37 N 4.7246 8.8798 122.2450 51.5625 39.5198 175.2748 38 E 4.1109 8.1232 114.2321 58.4075 28.5827 177.0903 39 N 4.7757 8.5466 116.8865 52.7902 38.9072 174.8756 40 D 4.7246 8.0909 116.4919 55.3748 39.0592 173.0885 41 E 4.8175 7.6420 118.5283 54.9616 31.0589 175.7014 42 V 4.2492 8.5662 123.7688 63.3401 31.9474 175.8875 43 M 4.8502 9.4262 127.5862 55.9110 34.2622 175.4820 44 F 5.1434 8.0685 120.0414 57.0580 43.3900 173.1875 45 F 4.7675 7.8545 128.4669 57.2809 41.1707 173.1996 46 N 4.3906 7.8330 124.7106 50.9450 39.2012 174.5851 47 P 4.5396 0.0000 0.0000 65.0068 31.2010 178.8262 48 A 3.9549 7.9296 119.0802 54.9823 18.2992 179.3655 49 A 3.9749 7.8653 118.8897 55.1015 18.1159 179.4296 50 E 4.8324 7.8389 118.5322 59.2785 29.3473 179.8327 51 K 4.0652 7.8479 117.3241 59.2694 32.1647 179.2143 52 L 4.0322 7.8448 118.5851 57.3259 41.7865 178.8926 53 W 4.5340 8.8812 118.0331 56.3986 29.3744 178.3056 54 G 3.9724 8.4964 106.1042 45.5876 0.0000 172.4584 55 Y 4.8876 7.7379 116.9567 55.8297 40.1165 175.5476 56 K 4.7045 9.1943 123.7835 55.8400 33.1376 178.5630 57 R 3.9306 9.7321 119.9264 59.5000 28.9356 179.0632 58 E 3.9157 8.1668 116.9869 59.2426 29.5623 178.4343 59 E 4.0506 8.0638 117.9633 57.7884 29.8404 177.4730 60 V 3.6850 7.3597 118.4923 63.6873 33.0886 176.0549 61 I 4.0272 7.3063 119.9246 62.7627 37.2115 176.3094 62 G 3.9441 9.3766 114.4428 45.2445 0.0000 173.2153 63 N 4.7169 7.6990 117.1625 51.3737 40.2706 174.1657 64 N 4.7188 8.3020 118.6673 53.5088 39.7795 175.7163 65 I 3.6052 8.5711 124.6888 64.1948 37.8221 177.4043 66 D 4.4010 8.6091 119.4340 57.7928 40.6632 178.2554 67 M 4.1694 7.6503 115.4039 57.2907 31.3072 176.9447 68 L 4.4432 7.8463 118.7989 55.0485 42.5278 176.4649 69 I 4.3326 7.2990 120.4344 59.0123 38.3615 174.0365 70 P 4.5307 0.0000 0.0000 62.8137 32.1161 177.3602 71 R 3.9073 9.4758 122.1350 59.6328 30.0996 178.3100 72 D 4.6259 8.0193 113.7352 54.4282 39.9128 176.9400 73 L 4.5765 7.9313 119.9365 54.9131 42.1099 178.2016 74 R 3.9443 7.7554 118.5536 58.6024 30.0094 176.7033 75 P 4.3874 0.0000 0.0000 65.4773 31.6496 177.9208 76 A 4.3654 7.9302 118.7101 54.7581 18.9615 178.7667 77 H 4.0803 8.5878 117.2262 59.0883 29.8298 175.6365 78 P 4.3234 0.0000 0.0000 65.7411 31.1093 178.3956 79 E 3.9654 8.1547 117.0683 59.3765 29.2673 179.0936 80 Y 3.7245 7.8677 116.4625 60.9739 37.9599 178.2510 81 I 3.5478 7.7610 120.7204 64.2917 37.2200 178.3772 82 R 3.8818 8.2886 119.9153 59.7235 29.6564 177.9245 83 H 4.2651 8.1157 116.8419 59.4586 29.9368 176.4754 84 N 4.4554 7.9702 117.5573 56.6796 38.8420 176.7913 85 R 4.1822 8.2494 119.2483 59.1717 30.2458 178.4025 86 E 4.0977 8.2821 119.3846 58.0822 30.0482 177.6680 *97 R 4.1871 7.4143 119.1173 56.4762 31.6840 179.4827 98 E 4.9407 8.9016 125.3036 54.8250 30.2669 175.4481 99 L 4.9615 9.1366 126.9659 52.9062 46.0275 175.5440 100 Q 3.7859 8.2255 123.9626 54.7762 29.6378 174.4513 101 L 4.3560 8.5471 129.6914 53.7903 44.0878 174.5363 102 E 4.8513 8.4603 126.4394 54.3303 31.1754 175.8735 103 K 4.4794 9.0273 127.2377 55.3299 33.2541 177.8379 104 K 3.4479 8.3999 122.1828 59.7352 31.6894 177.1491 105 D 4.5255 7.8842 114.2941 53.3385 39.5904 176.9873 106 G 3.9471 8.2193 109.8598 45.4240 0.0000 174.3940 107 S 4.3899 8.3215 114.6815 57.9936 63.8792 173.0208 108 K 5.1543 8.1783 119.7506 54.5827 35.4099 175.6991 109 I 4.6673 8.2896 115.6874 58.8550 41.3038 174.3537 110 W 4.9046 8.7954 123.8972 56.6943 30.0956 175.5299 111 T 5.1308 9.3002 113.3308 60.1884 72.7023 172.4420 112 R 5.2140 8.9114 120.8435 54.5756 32.5578 175.2863 113 F 5.1677 9.4194 122.8314 55.5339 41.7797 174.8152 114 A 4.8848 9.1848 124.8346 50.1518 21.5248 174.8829 115 L 5.3904 8.8121 122.2185 53.1539 44.5613 176.2347 116 S 4.8449 9.1416 118.2609 56.5707 66.9102 173.0471 117 K 4.4056 8.8584 125.6994 55.8430 33.1400 175.8786 118 V 4.2818 8.8069 127.8440 61.3172 33.8866 174.3105 119 S 5.1680 8.6443 124.7835 57.3750 63.7390 173.8613 120 A 4.5058 9.1477 126.5910 52.2331 22.1456 175.7852 121 E 3.8469 9.6387 118.7275 57.3621 26.9458 175.5906 122 G 3.9080 8.4946 104.4015 45.7623 0.0000 173.7716 123 K 4.4928 8.1179 118.6557 54.0850 35.3075 175.0808 124 V 4.5265 7.9062 119.9677 61.7463 33.2983 174.2408 125 Y 4.8855 8.9435 126.1188 56.6991 40.9705 174.3813 126 Y 5.2271 8.8463 118.0094 56.2174 42.1324 174.3771 127 L 5.2720 9.2355 125.2087 53.3792 44.8348 174.6465 128 A 5.2173 9.2454 128.7943 50.4726 21.4609 175.3196 129 L 5.1590 9.1094 122.8395 52.9018 44.4199 175.8410 130 V 4.7162 8.7601 124.1146 60.8805 34.8479 174.4181 131 R 4.8700 8.7341 122.4144 53.9449 33.5361 174.7979 132 D 4.4472 8.5869 118.1696 54.7304 41.2341 176.0016 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 20 G 8.35 3.96 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 0.00 0.00 0.00 21 I 7.30 3.98 1.70 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.40 0.35 0.00 0.00 22 F 8.04 4.11 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 23 F 8.25 4.06 0.00 3.06 3.07 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 24 P 0.00 4.00 0.00 2.14 2.05 0.00 3.76 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 25 A 7.83 3.90 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 26 L 7.58 4.21 0.00 1.50 1.81 0.87 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 27 E 8.05 3.96 0.00 1.16 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 2.16 2.23 0.00 28 Q 7.90 4.41 0.00 2.12 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.63 0.00 0.00 0.00 0.00 0.00 2.29 2.18 0.00 29 N 7.60 4.46 0.00 2.93 2.90 0.00 0.00 7.12 7.68 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 30 M 8.46 4.20 0.00 2.02 2.09 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.48 0.00 31 M 8.38 4.43 0.00 1.93 2.06 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.46 0.00 32 G 8.80 3.76 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 0.00 0.00 0.00 33 A 9.16 5.31 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 34 V 8.87 4.75 2.18 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 1.09 0.00 0.00 0.81 0.00 0.00 35 L 9.16 5.46 0.00 2.04 1.75 1.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 36 I 9.00 5.16 1.98 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.90 1.00 0.00 0.00 37 N 8.88 4.72 0.00 2.78 3.16 0.00 0.00 6.81 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.12 4.11 0.00 1.97 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 0.00 2.19 2.14 0.00 39 N 8.55 4.78 0.00 2.73 2.81 0.00 0.00 6.84 7.60 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 40 D 8.09 4.72 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 41 E 7.64 4.82 0.00 2.28 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.39 0.00 42 V 8.57 4.25 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 0.92 0.00 0.00 0.85 0.00 0.00 43 M 9.43 4.85 0.00 2.17 2.21 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.56 0.00 44 F 8.07 5.14 0.00 3.07 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 F 7.85 4.77 0.00 2.81 2.73 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 46 N 7.83 4.39 0.00 2.85 2.48 0.00 0.00 6.69 7.57 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 47 P 0.00 4.54 0.00 2.15 2.14 0.00 4.01 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.02 0.00 48 A 7.93 3.95 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 49 A 7.87 3.97 0.33 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 50 E 7.84 4.83 0.00 2.30 2.18 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 2.86 2.53 0.00 51 K 7.85 4.07 0.00 1.91 1.86 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.64 7.81 52 L 7.84 4.03 0.00 1.76 1.33 0.78 0.86 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 53 W 8.88 4.53 0.00 3.99 3.45 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 54 G 8.50 3.97 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 0.00 0.00 0.00 55 Y 7.74 4.89 0.00 3.04 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 56 K 9.19 4.70 0.00 1.83 2.03 0.00 1.75 0.00 0.00 1.78 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.57 7.81 57 R 9.73 3.93 0.00 2.09 2.52 0.00 3.00 0.00 0.00 3.29 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.70 0.00 58 E 8.17 3.92 0.00 2.13 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 2.28 2.36 0.00 59 E 8.06 4.05 0.00 2.03 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 2.37 2.34 0.00 60 V 7.36 3.69 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 0.22 0.00 0.00 -0.05 0.00 0.00 61 I 7.31 4.03 1.84 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 0.95 0.93 0.00 0.00 62 G 9.38 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 63 N 7.70 4.72 0.00 2.76 2.59 0.00 0.00 6.49 6.29 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 64 N 8.30 4.72 0.00 2.68 2.64 0.00 0.00 6.54 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 I 8.57 3.61 1.99 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.33 0.93 0.00 0.00 66 D 8.61 4.40 0.00 2.88 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 67 M 7.65 4.17 0.00 2.01 1.92 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.45 0.00 68 L 7.85 4.44 0.00 1.66 1.63 0.43 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 69 I 7.30 4.33 1.95 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.64 0.87 0.00 0.00 70 P 0.00 4.53 0.00 2.12 1.93 0.00 3.58 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.08 0.00 71 R 9.48 3.91 0.00 1.83 2.01 0.00 3.13 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.79 0.00 72 D 8.02 4.63 0.00 2.78 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 L 7.93 4.58 0.00 1.64 1.68 0.82 1.09 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 74 R 7.76 3.94 0.00 1.92 2.11 0.00 3.18 0.00 0.00 3.57 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.91 0.00 75 P 0.00 4.39 0.00 2.04 2.13 0.00 3.63 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.16 0.00 76 A 7.93 4.37 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.59 4.08 0.00 3.35 3.33 0.00 5.60 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 P 0.00 4.32 0.00 2.22 2.11 0.00 3.82 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.22 0.00 79 E 8.15 3.97 0.00 2.04 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 0.00 2.34 2.46 0.00 80 Y 7.87 3.72 0.00 3.01 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 81 I 7.76 3.55 1.85 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 1.19 0.73 0.91 0.00 0.00 82 R 8.29 3.88 0.00 1.92 1.92 0.00 3.10 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.65 0.00 83 H 8.12 4.27 0.00 3.11 3.44 0.00 6.00 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 N 7.97 4.46 0.00 2.81 2.89 0.00 0.00 7.32 7.70 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 85 R 8.25 4.18 0.00 2.03 2.03 0.00 3.28 0.00 0.00 3.29 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.05 0.00 86 E 8.28 4.10 0.00 2.03 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 2.34 2.50 0.00 *97 R 7.41 4.19 0.00 1.53 1.86 0.00 3.24 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.21 0.00 98 E 8.90 4.94 0.00 2.02 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 2.18 2.64 0.00 99 L 9.14 4.96 0.00 1.49 1.27 0.26 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 100 Q 8.23 3.79 0.00 0.93 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.80 0.00 0.00 0.00 0.00 0.00 1.69 1.16 0.00 101 L 8.55 4.36 0.00 1.48 1.34 -0.59 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 102 E 8.46 4.85 0.00 1.94 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.28 0.00 103 K 9.03 4.48 0.00 1.90 1.74 0.00 1.67 0.00 0.00 1.52 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.54 1.27 7.81 104 K 8.40 3.45 0.00 0.79 1.47 0.00 1.44 0.00 0.00 1.57 0.00 0.00 3.01 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.28 1.11 7.81 105 D 7.88 4.53 0.00 2.79 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 0.00 106 G 8.22 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 0.00 0.00 0.00 107 S 8.32 4.39 0.00 3.97 3.97 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 0.00 108 K 8.18 5.15 0.00 1.47 1.43 0.00 1.58 0.00 0.00 1.58 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.18 1.45 7.81 109 I 8.29 4.67 1.82 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.06 0.85 0.00 0.00 110 W 8.80 4.90 0.00 3.21 3.20 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 0.00 111 T 9.30 5.13 4.35 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 1.09 0.00 0.00 112 R 8.91 5.21 0.00 1.76 1.92 0.00 3.30 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.75 0.00 113 F 9.42 5.17 0.00 2.80 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 0.00 114 A 9.18 4.88 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 0.00 115 L 8.81 5.39 0.00 1.66 1.74 0.98 1.09 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 0.00 116 S 9.14 4.84 0.00 3.79 3.76 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 0.00 117 K 8.86 4.41 0.00 1.87 1.72 0.00 1.74 0.00 0.00 1.59 0.00 0.00 2.70 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.23 0.95 7.81 118 V 8.81 4.28 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 0.93 0.00 0.00 0.94 0.00 0.00 119 S 8.64 5.17 0.00 3.78 3.78 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 0.00 120 A 9.15 4.51 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 0.00 121 E 9.64 3.85 0.00 2.26 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 0.00 2.24 2.33 0.00 122 G 8.49 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 K 8.12 4.49 0.00 1.81 1.32 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.22 1.42 7.81 124 V 7.91 4.53 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 0.64 0.00 0.00 0.86 0.00 0.00 125 Y 8.94 4.89 0.00 2.92 2.86 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 0.00 126 Y 8.85 5.23 0.00 3.07 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 L 9.24 5.27 0.00 1.81 1.60 1.11 1.07 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 0.00 128 A 9.25 5.22 1.43 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 0.00 0.00 129 L 9.11 5.16 0.00 1.54 1.55 0.95 0.66 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 0.00 130 V 8.76 4.72 1.82 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 0.59 0.00 0.00 -0.08 0.00 0.00 131 R 8.73 4.87 0.00 1.82 1.90 0.00 2.82 0.00 0.00 3.08 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.55 0.00 132 D 8.59 4.45 0.00 2.63 2.58 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 * Residues marked with a * may have inaccurate shift predictions.