NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 G 3.9515 8.3549 109.7229 45.7201 0.0000 175.3208 17 I 3.5621 7.3286 119.9650 63.1602 37.3762 175.5275 18 T 3.8503 7.8516 115.5748 63.3563 69.9508 174.2979 19 G 3.4952 7.2265 112.9907 44.9985 0.0000 170.7074 20 T 4.6382 7.6009 116.8029 61.4629 70.9568 173.9103 21 W 4.6704 8.2572 125.2751 54.9614 33.3348 173.9969 22 Y 5.8761 9.7328 118.6106 55.5276 42.4241 174.1288 23 N 5.5553 9.0282 118.3501 49.9319 40.5275 175.3796 24 Q 4.0073 8.7828 116.5853 59.4465 28.4801 177.4649 25 L 4.3043 8.0079 115.5409 54.5616 41.4937 177.1538 26 G 3.9450 8.2688 106.3129 46.0881 0.0000 174.1581 27 S 4.7263 9.6251 116.5402 57.8618 64.8580 173.3275 28 T 5.1357 8.4898 118.9307 61.6827 71.7500 173.0975 29 F 5.1970 9.0406 120.8732 55.0135 41.4086 173.6057 30 I 4.6456 9.2054 123.6123 59.6478 39.3560 175.1125 31 V 4.9480 8.3627 119.7511 59.7350 36.0486 174.7627 32 T 4.8288 8.7938 119.0323 61.7413 71.8809 172.8848 33 A 4.5813 8.6197 129.3466 50.3238 19.7610 177.1712 34 G 3.8141 9.4402 112.5916 45.1832 0.0000 174.3544 35 A 4.1065 8.7111 125.2181 54.1709 19.1056 177.4598 36 D 4.7741 8.1197 114.2663 53.2784 41.1239 176.3197 37 G 3.2511 8.3283 108.2108 44.7729 0.0000 172.4080 38 A 4.7331 7.6943 121.3680 51.6947 20.4303 176.5131 39 L 5.3400 8.8919 119.5122 53.1969 45.1430 176.0408 40 T 5.0424 9.4244 113.3038 59.3447 72.7381 173.9748 41 G 4.6234 7.6304 107.7055 46.7079 0.0000 170.7086 42 T 5.2750 7.7866 108.4867 59.9012 72.5225 172.2279 43 Y 4.9354 9.0299 124.4693 56.0751 41.4678 174.2982 44 E 5.9800 8.9041 125.1817 54.1157 33.7217 176.4615 45 S 4.7725 8.6885 113.1389 58.4128 65.8744 174.1271 *49 N 4.4080 8.0723 117.2800 52.0792 38.1993 175.1476 50 A 4.0730 8.5970 123.6843 55.2231 18.4754 179.1821 51 E 3.9471 7.9216 112.1015 58.0519 30.2904 177.3584 52 S 4.8808 8.7444 114.6968 58.2254 64.4661 173.2678 53 R 5.1716 7.5318 120.0671 55.6881 31.0565 175.4833 54 Y 4.9484 9.2270 120.6899 56.1182 42.9112 174.4616 55 V 4.4622 8.5474 121.6607 62.3517 32.4021 175.1069 56 L 5.0753 8.5677 128.0550 54.5627 43.0718 175.6044 57 T 4.7772 8.5050 114.0915 61.4755 71.4828 173.3967 58 G 4.0769 8.4652 111.8126 46.6969 0.0000 172.1121 59 R 6.0300 8.8026 117.9018 54.5734 35.1271 173.8540 60 Y 5.3018 8.2003 117.2378 55.5105 41.1970 174.4658 61 D 4.3277 9.1601 121.0131 54.1370 40.6860 176.5851 62 S 4.3993 8.1740 120.5127 58.5782 63.7985 175.0039 63 A 4.6767 8.4773 123.9664 50.6026 19.1889 173.9960 64 P 4.7163 0.0000 0.0000 60.5595 32.8262 177.0233 65 A 4.1899 8.3820 122.0818 52.9880 18.6506 177.5729 66 T 4.4759 8.3301 107.9801 61.6484 69.3042 174.7051 67 D 4.6053 8.0386 120.6746 53.5774 39.6787 177.0985 68 G 3.9743 8.2543 107.5806 45.5425 0.0000 174.1280 69 S 4.3535 8.2535 115.9410 57.9713 63.4594 173.9996 70 G 4.0094 8.2964 109.7621 46.2135 0.0000 172.9693 71 T 4.7615 8.6160 116.4195 61.4728 69.9073 174.7747 72 A 4.7904 8.6039 129.3621 52.4012 19.9327 175.8678 73 L 5.1082 9.0430 120.3464 55.4340 44.7600 174.1533 74 G 5.1624 9.3020 105.3114 45.5322 0.0000 172.0385 75 W 5.8171 8.1399 116.7202 55.6040 31.9920 173.2797 76 T 5.1980 9.4999 116.8517 61.8267 72.4464 173.3325 77 V 4.4257 8.9459 124.2922 60.9146 34.3863 174.0181 78 A 4.4539 8.2975 129.8745 49.9379 19.7970 177.9357 79 W 4.1114 8.4021 126.1350 55.7782 28.3594 176.2746 80 K 5.3558 7.7452 118.3089 54.6812 35.2102 174.5696 81 N 5.0202 9.5258 123.5070 51.9353 39.7190 173.6373 82 N 4.4593 8.3810 114.2841 54.6430 38.9263 175.0484 83 Y 4.7228 7.6316 114.8315 58.4293 40.4265 175.8368 84 R 4.7392 8.9571 117.2733 54.8679 34.4379 174.0221 85 N 5.1717 8.5749 118.2766 52.9130 40.4710 173.7004 86 A 4.4464 9.0944 128.6056 51.4858 19.9707 176.0635 87 H 4.2467 8.7759 113.7424 56.4220 26.7526 173.8708 88 S 5.1956 7.5741 111.1486 57.5992 66.9416 173.7056 89 A 4.9708 9.0086 121.2119 50.7847 22.9805 175.1794 90 T 4.9787 8.9922 117.4417 61.7150 72.0450 173.2243 91 T 4.9582 8.3067 115.7285 59.6042 71.7133 172.7970 92 W 4.9152 8.7326 125.6501 54.6929 31.7316 174.6874 93 S 4.9389 8.4629 119.4662 56.9078 64.6954 173.0156 94 G 4.6007 8.5417 113.7079 46.4175 0.0000 171.5666 95 Q 5.2598 8.3876 117.5012 54.7906 32.7053 173.5990 96 Y 4.7462 9.2924 123.8338 57.1533 40.6935 174.2365 97 V 4.3209 8.4682 127.1601 60.7105 33.3674 174.8627 98 G 3.7336 8.3399 115.3753 45.4239 0.0000 173.2240 99 G 3.9999 8.3971 107.2889 45.7063 0.0000 171.6027 100 A 4.1273 8.7485 122.4943 54.6970 18.3734 178.2713 101 E 4.5482 7.8573 111.6544 54.0973 32.0197 174.8686 102 A 4.5400 8.7526 126.5423 51.8718 19.1199 176.5623 103 R 5.3167 8.8078 118.0920 54.7635 33.8650 174.1037 104 I 4.9392 8.8955 121.6390 59.9103 39.7328 174.2398 105 N 5.3706 8.9138 125.4098 52.0458 40.3142 174.4570 106 T 5.2559 9.3634 113.8207 60.0719 73.0580 172.7113 107 Q 5.2872 8.9101 121.1278 53.9803 32.0342 174.7520 108 W 5.3675 8.7798 119.0269 54.7023 32.6967 173.9098 109 L 5.1108 8.6723 119.2092 53.0491 45.1816 175.4014 110 L 5.0797 9.1853 126.7680 53.8138 44.1692 174.9109 111 T 5.0236 8.7271 123.8410 62.1793 70.5743 174.1606 112 S 5.1881 8.7512 122.5784 56.4529 65.3927 174.3689 113 G 3.8514 8.6321 111.2711 46.6349 0.0000 173.2051 114 T 4.7700 8.3363 114.9237 59.4620 72.3242 173.5033 115 T 4.1662 8.0420 112.5802 61.0720 69.4883 175.2920 116 E 4.0011 8.6410 120.1942 59.1482 29.5930 179.4488 117 A 4.2238 7.5807 119.8333 54.1264 18.7665 177.7195 118 N 4.6503 7.9429 111.5443 52.7110 39.5232 176.2910 119 A 4.1060 7.9806 122.4188 54.1394 18.6110 180.2486 120 W 4.3373 8.3530 112.1037 58.7210 28.0429 176.7055 121 K 4.3464 6.7683 117.7790 56.0905 32.2844 177.5490 122 S 4.1856 8.1033 117.1248 61.3455 63.5209 173.4990 123 T 5.0718 7.6015 116.9216 61.6884 71.2121 173.6898 124 L 4.7037 9.1096 127.1942 53.6361 43.9900 176.0622 125 V 4.2746 7.7969 120.2758 60.2013 34.1253 175.2775 126 G 3.3196 6.3581 109.6988 45.7912 0.0000 171.0683 127 H 5.4923 8.2086 114.7298 54.7707 32.1824 172.3139 128 D 4.8074 9.2243 116.8715 53.6805 44.8678 173.8372 129 T 5.1759 8.5709 121.6588 61.9607 71.2361 173.1904 130 F 5.5034 10.0699 125.8591 56.2593 41.8479 174.9467 131 T 5.5958 9.3538 111.7891 60.1783 72.5302 174.5338 132 K 4.0175 8.6237 118.9122 56.0636 32.5641 177.5333 133 V 3.9453 7.2818 124.0207 62.8540 31.3965 175.0628 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 16 G 8.35 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 17 I 7.33 3.56 1.38 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 -0.36 0.57 0.00 0.00 18 T 7.85 3.85 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 19 G 7.23 3.50 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 T 7.60 4.64 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 0.72 0.00 0.00 21 W 8.26 4.67 0.00 2.11 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 22 Y 9.73 5.88 0.00 2.88 2.84 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 0.00 0.00 0.00 23 N 9.03 5.56 0.00 2.69 2.52 0.00 0.00 6.48 7.16 0.00 0.00 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 Q 8.78 4.01 0.00 2.21 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 7.44 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 25 L 8.01 4.30 0.00 1.73 1.77 0.97 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.27 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 27 S 9.63 4.73 0.00 3.91 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 28 T 8.49 5.14 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 1.10 0.00 0.00 29 F 9.04 5.20 0.00 2.91 2.61 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 30 I 9.21 4.65 1.81 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.45 0.82 0.00 0.00 31 V 8.36 4.95 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 0.74 0.00 0.00 0.83 0.00 0.00 32 T 8.79 4.83 4.20 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 1.17 0.00 0.00 33 A 8.62 4.58 0.67 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 0.00 0.00 0.00 0.00 0.00 0.00 34 G 9.44 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 35 A 8.71 4.11 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 36 D 8.12 4.77 0.00 2.56 2.54 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 37 G 8.33 3.25 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 0.00 38 A 7.69 4.73 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 39 L 8.89 5.34 0.00 1.85 1.54 0.81 0.62 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 40 T 9.42 5.04 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 1.21 0.00 0.00 41 G 7.63 4.62 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 0.00 0.00 0.00 42 T 7.79 5.27 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 1.28 0.00 0.00 43 Y 9.03 4.94 0.00 2.95 2.95 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 44 E 8.90 5.98 0.00 1.95 1.87 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 2.26 2.22 0.00 45 S 8.69 4.77 0.00 3.80 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 *49 N 8.07 4.41 0.00 2.98 2.96 0.00 0.00 6.07 7.46 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 50 A 8.60 4.07 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 51 E 7.92 3.95 0.00 1.93 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 2.36 2.10 0.00 52 S 8.74 4.88 0.00 4.03 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 0.00 53 R 7.53 5.17 0.00 1.87 1.90 0.00 3.59 0.00 0.00 3.39 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 54 Y 9.23 4.95 0.00 2.91 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 55 V 8.55 4.46 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 0.79 0.00 0.00 0.95 0.00 0.00 56 L 8.57 5.08 0.00 1.71 1.50 0.57 0.38 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 57 T 8.51 4.78 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 1.23 0.00 0.00 58 G 8.47 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 59 R 8.80 6.03 0.00 1.75 1.86 0.00 3.31 0.00 0.00 3.34 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 60 Y 8.20 5.30 0.00 2.95 2.85 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 61 D 9.16 4.33 0.00 2.80 2.69 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 0.00 0.00 0.00 0.00 62 S 8.17 4.40 0.00 3.87 3.27 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 63 A 8.48 4.68 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 64 P 0.00 4.72 0.00 2.27 2.17 0.00 3.45 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.04 0.00 65 A 8.38 4.19 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 66 T 8.33 4.48 4.26 0.00 0.00 0.00 0.00 0.00 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 67 D 8.04 4.61 0.00 2.80 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 68 G 8.25 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 69 S 8.25 4.35 0.00 3.89 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 70 G 8.30 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 71 T 8.62 4.76 4.54 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 1.47 0.00 0.00 72 A 8.60 4.79 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 73 L 9.04 5.11 0.00 2.01 1.95 1.12 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 74 G 9.30 5.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.14 5.82 0.00 3.40 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 76 T 9.50 5.20 4.26 0.00 0.00 0.00 0.00 0.00 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 77 V 8.95 4.43 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 -0.69 0.00 0.00 0.67 0.00 0.00 78 A 8.30 4.45 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.40 4.11 0.00 3.34 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 80 K 7.75 5.36 0.00 1.91 1.71 0.00 1.76 0.00 0.00 1.79 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.50 7.81 81 N 9.53 5.02 0.00 2.54 2.59 0.00 0.00 7.02 7.92 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 82 N 8.38 4.46 0.00 2.04 2.53 0.00 0.00 6.61 7.46 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 83 Y 7.63 4.72 0.00 3.09 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 84 R 8.96 4.74 0.00 2.10 1.99 0.00 3.26 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 85 N 8.57 5.17 0.00 2.64 2.59 0.00 0.00 6.90 7.96 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 86 A 9.09 4.45 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 87 H 8.78 4.25 0.00 3.37 3.34 0.00 5.63 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 S 7.57 5.20 0.00 4.06 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 89 A 9.01 4.97 1.14 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 0.00 0.00 0.00 0.00 0.00 90 T 8.99 4.98 4.03 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 -0.47 0.00 0.00 91 T 8.31 4.96 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 1.14 0.00 0.00 92 W 8.73 4.92 0.00 1.78 1.94 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 93 S 8.46 4.94 0.00 3.83 3.63 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.54 4.60 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 0.00 95 Q 8.39 5.26 0.00 2.19 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.90 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 96 Y 9.29 4.75 0.00 3.01 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 97 V 8.47 4.32 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 0.85 0.00 0.00 0.92 0.00 0.00 98 G 8.34 3.73 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 0.00 0.00 0.00 99 G 8.40 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 0.00 100 A 8.75 4.13 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 0.00 101 E 7.86 4.55 0.00 2.06 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 2.19 2.32 0.00 102 A 8.75 4.54 1.48 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 0.00 0.00 103 R 8.81 5.32 0.00 2.06 2.31 0.00 2.80 0.00 0.00 3.21 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 2.02 0.00 104 I 8.90 4.94 1.77 0.00 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.59 1.13 0.00 0.00 105 N 8.91 5.37 0.00 2.77 2.83 0.00 0.00 6.06 6.53 0.00 0.00 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 T 9.36 5.26 4.49 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 1.38 0.00 0.00 107 Q 8.91 5.29 0.00 1.92 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.66 0.00 0.00 0.00 0.00 0.00 2.28 2.39 0.00 108 W 8.78 5.37 0.00 2.61 2.35 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 0.00 109 L 8.67 5.11 0.00 1.51 1.52 0.86 0.30 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 0.00 110 L 9.19 5.08 0.00 1.75 1.76 1.02 0.31 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 0.00 111 T 8.73 5.02 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 1.20 0.00 0.00 112 S 8.75 5.19 0.00 3.68 3.74 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 0.00 113 G 8.63 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 0.00 114 T 8.34 4.77 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 1.16 0.00 0.00 115 T 8.04 4.17 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 1.20 0.00 0.00 116 E 8.64 4.00 0.00 2.03 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 0.00 2.41 2.26 0.00 117 A 7.58 4.22 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 0.00 118 N 7.94 4.65 0.00 2.68 2.59 0.00 0.00 6.69 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 0.00 119 A 7.98 4.11 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 0.00 120 W 8.35 4.34 0.00 3.48 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 0.00 121 K 6.77 4.35 0.00 1.25 0.74 0.00 1.16 0.00 0.00 1.21 0.00 0.00 2.37 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.30 0.67 7.81 122 S 8.10 4.19 0.00 3.97 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 0.00 123 T 7.60 5.07 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 1.18 0.00 0.00 124 L 9.11 4.70 0.00 1.83 1.73 0.99 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 125 V 7.80 4.27 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 0.53 0.00 0.00 0.67 0.00 0.00 126 G 6.36 3.32 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 0.00 127 H 8.21 5.49 0.00 3.23 3.20 0.00 5.76 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 D 9.22 4.81 0.00 3.28 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 0.00 129 T 8.57 5.18 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 1.43 0.00 0.00 130 F 10.07 5.50 0.00 3.08 3.35 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 0.00 131 T 9.35 5.60 4.39 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 1.46 0.00 0.00 132 K 8.62 4.02 0.00 1.45 1.48 0.00 1.34 0.00 0.00 1.80 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.21 7.81 133 V 7.28 3.95 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 0.71 0.00 0.00 0.92 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.