NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5376 8.3049 118.7928 54.3642 33.1475 174.5932 2 Q 4.3752 8.2374 119.5796 53.3137 32.4319 173.7111 3 R 4.1629 8.7907 121.9323 55.6127 31.0364 175.6650 4 V 4.3264 8.1617 122.9838 61.2242 33.2823 174.8585 5 T 4.6862 8.3192 122.7835 61.6527 70.8208 173.6522 6 I 4.6716 8.0197 118.0280 59.2381 40.7682 174.2534 7 T 4.5018 8.3928 112.1682 59.9754 70.0876 173.8641 8 L 4.7841 8.1891 125.9113 52.1557 44.8160 176.7182 9 D 4.5964 8.3756 122.3155 53.1787 41.4913 177.2081 10 D 4.4158 8.7530 123.1720 58.4272 40.8429 179.1089 11 D 4.3832 8.1495 120.9415 58.5730 39.7803 180.0145 12 L 4.1445 8.7177 121.7045 58.2946 42.0883 179.4300 13 L 4.1917 7.9669 118.5649 57.5954 41.4455 179.4367 14 E 3.9583 8.3880 118.9960 59.8401 29.4305 179.5115 15 T 3.9078 8.0561 115.7712 66.3162 68.4974 176.5681 16 L 3.9732 8.4176 122.6380 58.3991 41.9749 178.7640 17 D 4.4148 8.3033 117.8346 57.2979 41.0173 178.5781 18 S 4.2149 8.1018 113.6040 61.4682 62.3976 175.9729 19 L 4.0064 8.1183 122.9299 58.3547 41.6211 179.1336 20 S 4.2765 8.0851 114.9668 61.3488 62.4810 176.5911 21 Q 4.0062 7.8298 120.4691 58.9961 28.5439 178.5406 22 R 4.0403 7.8991 117.5196 58.3264 30.3262 178.0606 23 R 4.2159 7.4791 115.8877 55.3076 30.6740 177.0407 24 G 3.7626 7.8727 106.1677 45.9994 0.0000 172.7070 25 Y 4.6198 7.2966 117.5999 57.5178 38.0254 175.6671 26 N 4.6702 9.1368 122.3362 53.5016 39.2718 174.8559 27 N 4.3615 7.5666 115.3171 51.1822 40.5675 175.1612 28 R 3.8996 8.1954 119.9976 59.6352 29.9549 179.3423 29 S 4.0149 8.0447 114.1131 61.7198 62.8734 176.2581 30 E 3.7991 8.6294 120.9891 59.3557 29.2410 179.2310 31 A 2.5800 7.5239 120.3578 54.7573 18.3632 179.7357 32 I 3.5235 7.9620 118.2309 64.3661 37.2181 178.5480 33 R 3.7936 8.4753 120.0473 59.5996 29.8806 178.0721 34 D 4.2988 8.0365 117.7896 57.4125 41.2320 178.1999 35 I 3.7573 7.6716 120.3775 64.1946 37.0652 178.2502 36 L 3.9265 8.1000 121.4308 58.0340 41.4147 178.9886 37 R 3.9013 8.4851 119.3707 59.4684 29.8298 178.6935 38 S 4.1838 7.9421 112.8048 61.3871 63.4789 176.0115 39 A 4.1611 8.1115 124.3702 54.5366 18.2068 179.0025 40 L 4.2520 8.1055 116.0946 56.3728 41.6605 179.0112 41 A 4.1762 7.7316 122.2781 55.0226 18.2971 179.1629 42 Q 4.5807 7.3437 115.9794 56.8568 28.5392 179.3043 43 E 4.9174 7.9283 119.0696 56.8368 30.8741 176.1154 44 A 4.1732 8.0619 120.7745 52.1490 19.2278 178.3536 45 T 4.2390 8.2476 118.3318 63.4423 69.1975 174.6271 46 Q 4.3022 9.0915 126.3065 55.3533 29.4501 175.4571 47 Q 4.5121 8.2676 120.6853 54.4361 30.4502 175.4008 48 H 4.7081 8.4189 118.8709 57.0089 29.2944 176.0553 49 G 4.0110 9.9325 110.5600 45.3946 0.0000 173.6049 50 T 4.6334 7.3776 109.5300 59.7161 71.3614 173.1575 51 Q 5.1378 8.4645 121.5790 52.9825 32.7544 175.0976 52 G 4.0125 7.3766 105.1826 47.0427 0.0000 170.6874 53 F 5.4190 8.2377 118.4520 56.1236 42.6968 174.5608 54 A 5.0331 8.7960 118.6544 51.4193 23.1921 175.6349 55 V 4.7827 8.6974 120.1286 61.0664 34.4023 174.0423 56 L 5.3267 9.1956 131.2059 53.3804 44.2490 175.1754 57 S 5.3071 9.4506 120.9100 57.0920 66.7806 172.3990 58 Y 5.2197 7.8454 118.0990 57.5384 41.8291 172.7350 59 V 4.8969 8.8634 119.9308 61.4758 34.4084 173.6854 *60 Y 5.3048 8.9166 128.8630 55.7486 42.3740 175.5188 61 E 5.2852 8.7734 120.8916 55.9321 30.9425 176.3891 *79 H 4.4244 8.1668 117.7790 56.1869 29.1217 177.9938 80 D 4.6668 8.3168 124.7199 51.1799 38.5070 172.5078 81 L 4.6090 7.6071 124.5273 55.0198 43.1695 176.3709 82 S 4.5838 7.8252 114.7200 58.4009 62.4846 173.3308 83 V 4.2364 8.5108 126.9159 64.1138 32.8418 175.7270 84 A 4.5147 7.2461 117.8164 51.5919 22.1083 175.1662 85 T 5.0396 8.7014 116.5214 61.6239 72.1472 173.0531 86 L 4.7465 9.2504 128.1419 53.5701 44.5627 174.5511 87 H 5.3122 8.8248 122.5150 53.9673 31.6349 173.3546 88 V 4.3847 8.6920 122.3924 61.3135 35.1296 174.1927 89 H 4.9013 8.8350 125.0680 55.2691 28.6997 175.1499 90 I 4.1404 7.9357 117.8642 60.4292 38.0731 174.8179 91 N 4.1882 7.1271 116.5846 53.3388 39.2697 173.7192 92 H 4.4520 8.4919 114.1277 57.9177 29.3494 175.6221 93 D 4.8716 10.2001 118.8880 55.6506 43.7510 176.3242 94 D 5.1618 8.4541 117.2014 53.7295 43.1459 175.0897 95 C 5.2024 9.3119 121.8270 57.5306 34.7011 172.5143 96 L 4.6728 9.2420 129.2905 54.3908 43.3605 174.8085 97 E 4.8000 8.6928 126.7039 54.2389 32.9527 174.3241 98 I 4.8875 8.8496 126.8190 59.4465 40.8316 174.0325 99 A 5.0745 9.2237 129.6441 50.0444 21.6516 175.0400 100 V 4.5126 8.8952 124.0661 62.1750 32.9213 174.8936 101 L 5.3612 9.3039 128.1606 52.9821 45.0404 175.5019 102 K 4.3712 9.6968 122.4322 54.6744 35.6334 176.3150 103 G 3.6249 7.5930 113.0205 44.8520 0.0000 171.4579 104 D 4.7081 8.4148 122.0806 54.4240 42.0764 177.5564 105 M 4.0974 8.8618 128.0549 58.5974 31.9066 179.1485 106 G 3.3255 8.0092 105.1915 47.8928 0.0000 175.4136 107 D 4.4287 9.0186 122.0891 56.7623 40.8088 178.8649 108 V 3.6915 7.9981 118.9831 66.2439 31.4950 177.8982 109 Q 3.9732 8.4025 119.4061 59.3151 28.8218 177.4831 110 H 4.0733 8.5332 119.5466 59.2937 29.8387 176.7821 111 F 4.2051 8.9160 122.4552 61.3034 39.1920 176.7515 112 A 3.6078 8.4726 120.5168 55.3707 18.2367 179.1310 113 D 4.2759 8.7758 120.1148 58.3613 40.6303 179.6800 114 D 4.2539 7.8719 120.8086 58.3339 40.2114 180.6200 115 V 3.5720 7.4401 120.1468 65.7569 31.2319 178.3109 116 I 3.5921 7.9415 118.4139 63.8518 36.9246 177.7679 117 A 4.1225 7.6409 120.5225 53.0577 18.9467 177.9129 118 Q 3.9810 7.2603 117.5903 55.3714 29.3532 176.0289 119 R 4.0507 8.3416 122.8604 58.0243 30.7974 176.1932 120 G 3.9309 9.0811 112.2891 45.1130 0.0000 172.9428 121 V 4.2585 7.3070 119.3763 61.8234 31.5473 175.2751 122 R 4.5823 8.6126 126.2063 54.8175 32.6358 175.3117 123 H 4.2448 8.5056 112.6064 56.7137 26.4885 175.1678 124 G 4.0142 8.0299 104.9389 46.7014 0.0000 173.5970 125 H 5.0175 9.7159 123.4439 54.3220 33.9691 171.5982 126 L 5.0363 8.1529 126.4021 53.2557 44.6847 174.9753 127 Q 4.5647 9.3920 128.3191 54.5865 30.9239 173.8783 128 C 4.6662 8.6778 125.0004 59.0622 29.3311 174.5340 129 L 4.9146 8.8605 124.5571 51.8194 41.0483 173.8451 130 P 4.7327 0.0000 0.0000 62.1066 32.6003 177.0644 131 K 3.8069 8.6419 122.7558 57.0438 32.3053 175.7248 132 E 4.2880 8.5455 129.1394 56.7317 30.9164 176.1791 133 D 4.8165 8.8370 120.8066 53.5987 39.9664 176.6913 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 1 M 8.30 4.54 0.00 2.05 1.92 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.14 0.00 2 Q 8.24 4.38 0.00 2.04 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.99 0.00 0.00 0.00 0.00 0.00 2.24 2.44 0.00 3 R 8.79 4.16 0.00 1.79 1.89 0.00 3.18 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 4 V 8.16 4.33 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 0.81 0.00 0.00 0.98 0.00 0.00 5 T 8.32 4.69 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 6 I 8.02 4.67 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 1.46 0.63 0.90 0.00 0.00 7 T 8.39 4.50 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 8 L 8.19 4.78 0.00 1.61 1.57 0.91 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 9 D 8.38 4.60 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 10 D 8.75 4.42 0.00 2.71 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 11 D 8.15 4.38 0.00 2.68 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 0.00 0.00 0.00 0.00 12 L 8.72 4.14 0.00 1.82 1.88 0.92 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.97 4.19 0.00 1.88 1.71 0.92 0.97 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 14 E 8.39 3.96 0.00 2.25 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 0.00 2.33 2.51 0.00 15 T 8.06 3.91 4.38 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 1.23 0.00 0.00 16 L 8.42 3.97 0.00 1.83 1.87 0.94 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 17 D 8.30 4.41 0.00 2.80 2.74 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 18 S 8.10 4.21 0.00 3.92 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 19 L 8.12 4.01 0.00 1.84 1.91 0.94 1.10 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 20 S 8.09 4.28 0.00 4.25 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 0.00 21 Q 7.83 4.01 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 7.02 0.00 0.00 0.00 0.00 0.00 2.40 2.58 0.00 22 R 7.90 4.04 0.00 1.72 1.93 0.00 3.18 0.00 0.00 3.21 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 23 R 7.48 4.22 0.00 0.80 1.10 0.00 3.03 0.00 0.00 2.94 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.53 0.00 24 G 7.87 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 25 Y 7.30 4.62 0.00 2.97 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.14 4.67 0.00 2.92 2.88 0.00 0.00 6.95 7.49 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 27 N 7.57 4.36 0.00 2.93 2.88 0.00 0.00 6.21 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 28 R 8.20 3.90 0.00 1.86 2.02 0.00 3.13 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.74 0.00 29 S 8.04 4.01 0.00 4.02 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 30 E 8.63 3.80 0.00 1.96 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 2.33 2.49 0.00 31 A 7.52 2.58 1.22 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 0.00 0.00 32 I 7.96 3.52 1.90 0.00 0.00 0.83 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 0.68 0.86 0.00 0.00 33 R 8.48 3.79 0.00 1.82 1.97 0.00 3.06 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 34 D 8.04 4.30 0.00 2.81 2.42 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 35 I 7.67 3.76 1.82 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.51 0.92 0.00 0.00 36 L 8.10 3.93 0.00 1.98 1.82 0.91 0.81 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 37 R 8.49 3.90 0.00 1.92 1.90 0.00 3.15 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 38 S 7.94 4.18 0.00 4.11 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 0.00 39 A 8.11 4.16 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 40 L 8.11 4.25 0.00 1.72 1.71 0.95 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 41 A 7.73 4.18 1.40 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 0.00 0.00 0.00 0.00 0.00 0.00 42 Q 7.34 4.58 0.00 2.24 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 7.38 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 43 E 7.93 4.92 0.00 1.91 1.91 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 2.23 2.36 0.00 44 A 8.06 4.17 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 45 T 8.25 4.24 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 46 Q 9.09 4.30 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.67 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 47 Q 8.27 4.51 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 7.01 0.00 0.00 0.00 0.00 0.00 2.38 2.31 0.00 48 H 8.42 4.71 0.00 3.15 3.29 0.00 5.71 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 G 9.93 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 50 T 7.38 4.63 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 1.28 0.00 0.00 51 Q 8.46 5.14 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.03 0.00 0.00 0.00 0.00 0.00 2.34 2.10 0.00 52 G 7.38 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 53 F 8.24 5.42 0.00 2.87 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 54 A 8.80 5.03 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 55 V 8.70 4.78 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 0.79 0.00 0.00 0.98 0.00 0.00 56 L 9.20 5.33 0.00 1.87 1.64 1.02 0.51 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 57 S 9.45 5.31 0.00 3.79 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 58 Y 7.85 5.22 0.00 3.21 3.05 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 59 V 8.86 4.90 2.17 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 1.01 0.00 0.00 0.92 0.00 0.00 *60 Y 8.92 5.30 0.00 2.65 2.19 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 61 E 8.77 5.29 0.00 1.99 1.75 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 2.11 1.79 0.00 *79 H 8.17 4.42 0.00 2.95 2.95 0.00 7.16 0.00 0.00 0.00 0.00 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 D 8.32 4.67 0.00 2.68 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 81 L 7.61 4.61 0.00 1.32 1.59 0.70 0.89 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 82 S 7.83 4.58 0.00 3.84 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 83 V 8.51 4.24 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 0.90 0.00 0.00 0.97 0.00 0.00 84 A 7.25 4.51 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 T 8.70 5.04 4.32 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 1.25 0.00 0.00 86 L 9.25 4.75 0.00 1.69 1.45 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 87 H 8.82 5.31 0.00 2.95 3.10 0.00 5.89 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 88 V 8.69 4.38 2.03 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 0.96 0.00 0.00 0.89 0.00 0.00 89 H 8.84 4.90 0.00 3.20 3.37 0.00 5.74 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 I 7.94 4.14 1.84 0.00 0.00 0.83 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 0.56 0.88 0.00 0.00 91 N 7.13 4.19 0.00 2.63 2.76 0.00 0.00 6.15 7.90 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 92 H 8.49 4.45 0.00 3.17 3.37 0.00 5.64 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 D 10.20 4.87 0.00 2.64 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 0.00 0.00 0.00 0.00 94 D 8.45 5.16 0.00 2.60 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 95 C 9.31 5.20 0.00 3.07 2.74 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 L 9.24 4.67 0.00 1.71 1.58 0.83 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 97 E 8.69 4.80 0.00 1.59 1.12 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 1.87 1.82 0.00 98 I 8.85 4.89 1.82 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.66 0.91 0.00 0.00 99 A 9.22 5.07 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 0.00 100 V 8.90 4.51 2.17 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 1.22 0.00 0.00 0.98 0.00 0.00 101 L 9.30 5.36 0.00 1.61 1.53 1.17 0.73 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 0.00 102 K 9.70 4.37 0.00 0.87 1.22 0.00 1.17 0.00 0.00 1.42 0.00 0.00 2.70 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.89 0.21 7.81 103 G 7.59 3.62 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 0.00 104 D 8.41 4.71 0.00 2.72 2.71 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 0.00 0.00 0.00 105 M 8.86 4.10 0.00 2.23 2.11 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.85 0.00 106 G 8.01 3.33 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 0.00 107 D 9.02 4.43 0.00 2.79 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 0.00 108 V 8.00 3.69 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 0.99 0.00 0.00 0.95 0.00 0.00 109 Q 8.40 3.97 0.00 2.15 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.56 0.00 0.00 0.00 0.00 0.00 2.50 2.36 0.00 110 H 8.53 4.07 0.00 3.47 3.56 0.00 5.85 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 0.00 111 F 8.92 4.21 0.00 3.05 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 0.00 112 A 8.47 3.61 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 0.00 113 D 8.78 4.28 0.00 2.74 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 0.00 114 D 7.87 4.25 0.00 2.76 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 0.00 115 V 7.44 3.57 1.62 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 0.02 0.00 0.00 0.08 0.00 0.00 116 I 7.94 3.59 1.92 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.59 0.85 0.00 0.00 117 A 7.64 4.12 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 0.00 118 Q 7.26 3.98 0.00 2.11 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.90 0.00 0.00 0.00 0.00 0.00 2.46 2.34 0.00 119 R 8.34 4.05 0.00 1.75 1.82 0.00 3.20 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 120 G 9.08 3.93 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 0.00 0.00 0.00 121 V 7.31 4.26 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 0.66 0.00 0.00 0.86 0.00 0.00 122 R 8.61 4.58 0.00 2.04 1.77 0.00 3.40 0.00 0.00 3.37 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 123 H 8.51 4.24 0.00 3.32 3.35 0.00 5.62 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 G 8.03 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 0.00 125 H 9.72 5.02 0.00 3.23 3.15 0.00 5.72 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 L 8.15 5.04 0.00 1.60 1.43 1.03 0.68 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 0.00 127 Q 9.39 4.56 0.00 2.20 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.73 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 128 C 8.68 4.67 0.00 2.92 2.88 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 0.00 0.00 0.00 129 L 8.86 4.91 0.00 1.75 1.61 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 130 P 0.00 4.73 0.00 2.10 2.08 0.00 3.94 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 131 K 8.64 3.81 0.00 1.89 1.85 0.00 1.83 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.50 7.81 132 E 8.55 4.29 0.00 1.97 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 0.00 2.26 2.30 0.00 133 D 8.84 4.82 0.00 2.80 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 * Residues marked with a * may have inaccurate shift predictions.