NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.3421 8.1733 120.0849 56.1560 34.9277 175.1914 4 I 4.3227 7.2283 122.0976 59.3599 38.5091 173.4032 5 R 5.4870 9.3850 128.8671 54.2401 32.5764 174.6822 6 I 5.0860 8.0383 117.7712 59.2502 40.6359 174.4309 7 K 4.5506 8.8541 126.2130 55.2149 34.3957 175.7265 8 L 4.9137 8.3726 122.7113 53.1443 42.6310 176.4851 9 R 4.1459 8.6946 123.6342 54.9689 32.5396 174.5354 10 G 3.5803 7.3323 106.0885 45.0328 0.0000 171.3393 11 F 4.9983 7.6529 116.2179 57.5580 42.2867 174.7634 12 D 4.4550 8.5229 119.2487 55.4895 41.9683 176.4390 13 H 4.4939 8.7829 122.0220 56.6623 28.6001 176.6666 14 K 4.2119 7.7034 123.2441 58.8288 32.2579 178.1396 15 T 3.9139 7.6128 109.3740 64.2558 69.3036 176.6301 16 L 3.9277 8.2011 122.2439 56.8706 42.0726 177.3638 17 D 4.6383 7.3832 116.4032 55.3718 42.0606 177.8840 18 A 4.1709 7.3805 121.5487 54.9889 18.5079 179.3791 19 S 4.2016 8.2175 109.1370 59.8570 63.1864 174.5434 20 A 4.4879 7.8156 122.7718 52.3132 19.4144 177.0011 21 Q 4.3533 7.8384 116.5362 56.7542 30.3548 176.8152 22 K 4.1215 8.0763 119.0511 59.5463 32.3750 178.5265 23 I 4.4509 7.4833 118.3530 61.2893 36.7125 176.8419 24 V 4.4233 7.6448 118.2163 61.9826 34.5307 175.6103 25 E 4.4909 8.0711 116.9784 56.3812 30.4011 176.8746 26 A 4.5953 7.8909 117.6866 51.8444 19.9174 176.9329 27 A 4.6375 7.6532 119.5939 51.9262 20.3438 178.8737 28 R 4.1008 7.7914 116.5479 58.7070 30.2500 178.5792 29 R 3.9397 7.9581 117.6744 58.5356 30.4294 176.8174 30 S 4.5841 8.6586 110.9514 58.3485 64.7570 171.8418 31 G 4.0905 6.8821 111.9480 43.9778 0.0000 176.1970 32 A 4.1552 8.3709 131.5371 51.9275 18.7872 177.0583 33 Q 4.3283 8.3219 117.6068 55.8329 30.3725 175.8831 34 V 4.7416 8.1008 121.9263 60.6738 34.3065 175.0860 35 S 4.1092 8.6382 124.2320 58.4571 63.7216 174.7750 36 G 3.8666 8.8638 113.9999 44.5533 0.0000 169.9499 37 P 4.5438 0.0000 0.0000 62.8769 31.6058 176.2802 38 I 4.2914 8.6328 120.4095 58.9049 39.4106 173.5053 39 P 4.9892 0.0000 0.0000 61.4200 30.8827 175.6904 40 L 4.5024 8.2344 127.2062 54.2759 41.9520 174.9959 41 P 4.3627 0.0000 0.0000 63.3432 31.6625 175.7430 42 T 4.2462 8.2486 117.1041 63.2852 69.6737 175.5916 43 R 4.3744 8.5128 126.1162 54.9651 29.6187 175.3467 44 V 3.8596 7.9961 122.6235 62.6756 32.9051 175.6197 45 R 4.5369 8.4146 124.7571 54.4684 31.9375 173.6589 46 R 4.3901 8.2537 122.2328 54.1549 31.6653 175.8229 47 F 5.0446 7.3011 117.2442 55.4731 41.5567 173.5261 48 T 4.8005 8.7651 117.7537 61.8658 71.0163 173.7554 49 V 4.5139 8.3692 124.3881 60.9076 35.3841 174.8793 50 I 4.1654 8.4325 127.4940 60.9594 37.1273 175.8595 51 R 4.0501 9.0012 125.8766 59.2317 30.0588 177.7997 52 G 3.8481 7.8535 105.3716 44.6584 0.0000 171.9010 53 P 4.8328 0.0000 0.0000 62.3336 32.7856 176.0588 54 F 5.1363 7.9410 129.8409 59.4300 45.2460 176.8089 55 K 4.3514 9.0323 116.2949 54.4920 32.2010 174.9032 56 H 4.9062 7.8983 121.2497 53.5052 30.1369 174.2310 57 K 3.6375 8.1265 120.7428 59.4851 32.8156 177.8959 58 D 4.6184 7.8219 117.5952 55.5622 42.4438 177.9561 59 S 3.6860 7.1391 110.2205 60.1233 60.3469 172.7186 60 R 4.5052 7.5522 124.3412 55.3907 32.2798 175.6022 61 E 4.6688 8.5050 117.6935 54.7064 32.7648 174.4475 62 H 4.8863 8.3611 120.3886 53.8152 32.0925 172.1065 63 F 5.1781 8.1337 117.3669 55.7049 42.7227 173.6544 64 E 4.5879 8.6605 116.5678 54.6127 32.2161 175.8938 65 L 4.5352 7.9115 122.2746 53.0427 42.4904 173.6525 66 R 3.9620 8.1620 118.4452 56.1931 30.8735 176.5463 67 T 4.7497 8.2284 122.7777 62.5228 68.4434 174.2891 68 H 4.7999 8.6004 122.8402 55.5849 29.8353 174.2675 69 N 5.3186 8.4823 117.4138 51.9270 42.6351 174.1999 70 R 4.5743 8.2252 118.2346 55.6983 34.0622 173.1885 71 L 4.9583 8.7213 129.1213 53.4556 44.9893 175.2667 72 V 4.6701 8.3810 124.4326 61.5031 34.8652 173.5206 73 D 5.3724 8.5734 126.5528 52.3781 44.0844 175.0352 74 I 4.6260 7.8347 113.9900 59.2063 39.7501 176.3931 75 I 3.7254 8.6216 120.7206 63.4038 38.0890 175.9038 76 N 4.8479 7.9265 120.8064 50.2109 40.7763 172.3766 77 P 4.4562 0.0000 0.0000 62.2485 29.6611 175.7062 78 N 4.6523 8.2658 124.2175 53.6077 39.3868 176.1187 79 R 4.2605 8.2988 116.2860 56.5482 30.2200 177.7737 80 K 4.2369 7.7215 121.1087 58.7819 32.7098 178.3791 81 T 3.7817 7.7403 109.7053 64.5232 68.8358 176.1750 82 I 3.9236 7.1738 120.7941 62.5640 37.1172 176.4240 83 E 4.5332 7.4837 118.6283 56.4983 31.3371 177.2385 84 Q 4.1414 7.9711 118.3587 58.5012 28.7465 177.7397 85 L 4.3210 7.6321 118.7833 57.0282 42.4026 178.0511 86 M 4.3837 7.9158 114.2886 57.0597 32.2109 176.2295 87 T 4.4497 7.6105 106.0194 62.5867 71.2981 174.6417 88 L 4.2346 7.2714 124.5303 53.5427 40.2512 175.9947 89 D 4.6184 7.6458 118.8868 52.8717 40.8039 176.9304 90 L 4.6732 8.0462 129.3933 53.0362 42.1153 176.1336 91 P 4.6716 0.0000 0.0000 61.3116 31.9305 175.7551 92 T 4.0039 8.6678 118.9937 64.7039 67.4360 175.9007 93 G 4.2254 7.8636 107.2575 45.1216 0.0000 171.7622 94 V 4.4480 7.8267 118.2062 60.6182 34.0951 174.2213 95 E 4.8732 8.5677 125.7743 54.2984 33.0308 174.7508 96 I 5.5197 8.0209 118.4496 58.9519 40.2487 174.4881 97 E 4.5467 8.8062 126.3958 55.4905 31.9069 175.6698 98 I 5.0845 8.0430 121.3408 60.2677 40.7993 174.4384 99 K 4.8991 9.2249 126.6494 54.5933 36.8391 175.1017 100 T 5.2246 8.1595 112.2114 59.8660 71.1818 175.2821 *101 V 3.9074 8.4599 122.4481 60.8757 32.4044 171.6401 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 4.34 0.00 1.73 1.92 0.00 1.62 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 1.67 7.81 4 I 7.23 4.32 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 1.11 1.30 0.91 0.00 0.00 5 R 9.39 5.49 0.00 1.85 1.77 0.00 3.07 0.00 0.00 3.31 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.75 0.00 6 I 8.04 5.09 1.86 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 1.16 0.86 0.91 0.00 0.00 7 K 8.85 4.55 0.00 1.70 1.74 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.39 1.54 7.81 8 L 8.37 4.91 0.00 1.82 1.54 0.97 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 9 R 8.69 4.15 0.00 1.64 1.78 0.00 3.08 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.55 0.00 10 G 7.33 3.58 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 0.00 11 F 7.65 5.00 0.00 3.05 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 12 D 8.52 4.46 0.00 2.81 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 13 H 8.78 4.49 0.00 3.21 3.18 0.00 5.50 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 7.70 4.21 0.00 1.68 1.92 0.00 1.67 0.00 0.00 1.84 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.44 7.81 15 T 7.61 3.91 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 1.27 0.00 0.00 16 L 8.20 3.93 0.00 1.76 1.85 0.99 1.22 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 17 D 7.38 4.64 0.00 3.01 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 18 A 7.38 4.17 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 19 S 8.22 4.20 0.00 3.97 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 20 A 7.82 4.49 1.38 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 0.00 0.00 21 Q 7.84 4.35 0.00 2.16 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.90 0.00 0.00 0.00 0.00 0.00 2.42 2.27 0.00 22 K 8.08 4.12 0.00 1.79 1.78 0.00 1.78 0.00 0.00 1.81 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.50 1.41 7.81 23 I 7.48 4.45 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 1.30 0.78 0.91 0.00 0.00 24 V 7.64 4.42 2.30 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 0.82 0.00 0.00 0.93 0.00 0.00 25 E 8.07 4.49 0.00 1.93 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 2.26 2.51 0.00 26 A 7.89 4.60 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 27 A 7.65 4.64 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 28 R 7.79 4.10 0.00 1.87 1.98 0.00 3.13 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.94 0.00 29 R 7.96 3.94 0.00 1.77 1.96 0.00 3.22 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 30 S 8.66 4.58 0.00 4.07 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 31 G 6.88 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 0.00 0.00 0.00 32 A 8.37 4.16 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 33 Q 8.32 4.33 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.79 0.00 0.00 0.00 0.00 0.00 2.44 2.35 0.00 34 V 8.10 4.74 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 0.87 0.00 0.00 0.93 0.00 0.00 35 S 8.64 4.11 0.00 3.88 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 36 G 8.86 3.87 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 0.00 0.00 0.00 37 P 0.00 4.54 0.00 1.95 2.06 0.00 3.67 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.20 0.00 38 I 8.63 4.29 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 1.52 0.76 0.94 0.00 0.00 39 P 0.00 4.99 0.00 2.10 2.14 0.00 3.76 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 40 L 8.23 4.50 0.00 1.68 1.73 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.36 0.00 2.20 2.10 0.00 3.76 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 2.00 0.00 42 T 8.25 4.25 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 1.16 0.00 0.00 43 R 8.51 4.37 0.00 1.79 1.90 0.00 3.29 0.00 0.00 3.10 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 44 V 8.00 3.86 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 0.70 0.00 0.00 0.89 0.00 0.00 45 R 8.41 4.54 0.00 1.99 1.94 0.00 3.51 0.00 0.00 3.26 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.83 0.00 46 R 8.25 4.39 0.00 1.55 1.63 0.00 3.04 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.45 0.00 47 F 7.30 5.04 0.00 3.24 3.15 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 0.00 48 T 8.77 4.80 4.28 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 1.17 0.00 0.00 49 V 8.37 4.51 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 1.03 0.00 0.00 1.02 0.00 0.00 50 I 8.43 4.17 1.89 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 1.42 0.92 0.94 0.00 0.00 51 R 9.00 4.05 0.00 1.78 2.03 0.00 3.38 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 52 G 7.85 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 0.00 0.00 0.00 53 P 0.00 4.83 0.00 2.23 2.19 0.00 3.85 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.96 0.00 54 F 7.94 5.14 0.00 2.89 2.31 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 55 K 9.03 4.35 0.00 1.29 1.40 0.00 0.61 0.00 0.00 1.23 0.00 0.00 2.35 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.83 0.27 7.81 56 H 7.90 4.91 0.00 3.13 3.18 0.00 5.64 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.13 3.64 0.00 1.71 1.88 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.76 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.40 7.81 58 D 7.82 4.62 0.00 2.63 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 59 S 7.14 3.69 0.00 3.99 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 60 R 7.55 4.51 0.00 2.19 2.06 0.00 2.93 0.00 0.00 3.12 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.48 0.00 61 E 8.50 4.67 0.00 1.93 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 1.67 2.08 0.00 62 H 8.36 4.89 0.00 3.12 3.05 0.00 5.55 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 F 8.13 5.18 0.00 3.04 2.92 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 0.00 0.00 0.00 64 E 8.66 4.59 0.00 1.80 1.77 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 2.13 2.21 0.00 65 L 7.91 4.54 0.00 1.73 1.64 0.59 1.23 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 66 R 8.16 3.96 0.00 1.72 1.70 0.00 3.29 0.00 0.00 3.24 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.92 0.00 67 T 8.23 4.75 4.45 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 1.19 0.00 0.00 68 H 8.60 4.80 0.00 3.07 3.27 0.00 5.83 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.48 5.32 0.00 2.57 2.69 0.00 0.00 6.69 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 8.23 4.57 0.00 1.91 1.73 0.00 3.07 0.00 0.00 3.10 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 71 L 8.72 4.96 0.00 1.81 1.48 0.97 0.59 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 8.38 4.67 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 0.98 0.00 0.00 0.93 0.00 0.00 73 D 8.57 5.37 0.00 2.71 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 74 I 7.83 4.63 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 1.34 1.23 0.91 0.00 0.00 75 I 8.62 3.73 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 1.43 0.59 0.93 0.00 0.00 76 N 7.93 4.85 0.00 2.63 2.70 0.00 0.00 6.99 7.69 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 77 P 0.00 4.46 0.00 2.22 2.08 0.00 3.81 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 1.98 1.98 0.00 78 N 8.27 4.65 0.00 2.68 2.86 0.00 0.00 6.82 7.54 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 79 R 8.30 4.26 0.00 1.77 1.95 0.00 3.36 0.00 0.00 3.15 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 80 K 7.72 4.24 0.00 1.86 1.85 0.00 1.60 0.00 0.00 1.87 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.68 7.81 81 T 7.74 3.78 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 1.26 0.00 0.00 82 I 7.17 3.92 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 0.78 0.91 0.00 0.00 83 E 7.48 4.53 0.00 1.82 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 2.21 2.30 0.00 84 Q 7.97 4.14 0.00 2.34 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.44 0.00 0.00 0.00 0.00 0.00 2.52 2.44 0.00 85 L 7.63 4.32 0.00 1.68 1.69 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 86 M 7.92 4.38 0.00 2.22 2.06 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 2.58 2.65 0.00 87 T 7.61 4.45 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 1.23 0.00 0.00 88 L 7.27 4.23 0.00 1.78 1.74 0.92 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 89 D 7.65 4.62 0.00 2.70 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 90 L 8.05 4.67 0.00 1.53 1.55 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 91 P 0.00 4.67 0.00 2.33 2.06 0.00 3.85 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.91 0.00 92 T 8.67 4.00 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 7.86 4.23 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 0.00 94 V 7.83 4.45 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 0.83 0.00 0.00 0.93 0.00 0.00 95 E 8.57 4.87 0.00 1.99 1.64 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 2.13 2.22 0.00 96 I 8.02 5.52 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 1.34 1.48 0.97 0.00 0.00 97 E 8.81 4.55 0.00 1.90 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 2.34 2.26 0.00 98 I 8.04 5.08 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 1.34 0.40 0.94 0.00 0.00 99 K 9.22 4.90 0.00 1.60 1.68 0.00 1.62 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.48 7.81 100 T 8.16 5.22 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 *101 V 8.46 3.91 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 0.68 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.