NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 G 4.0091 8.3549 109.7160 45.0607 0.0000 174.7126 17 I 3.6896 7.3693 121.8703 63.6116 37.3493 175.3761 18 T 3.9852 8.0257 116.8202 63.0714 69.8417 174.4256 19 G 3.8107 7.8145 112.0326 46.9172 0.0000 170.2171 20 T 4.9690 7.8329 116.6792 61.7178 69.8190 174.6970 21 W 4.8808 9.4188 126.6738 54.9703 32.9122 174.3456 22 Y 5.5312 9.2088 120.0714 56.6447 41.2898 175.6746 23 N 5.2011 9.3573 120.9899 50.6757 39.9791 175.3454 24 Q 4.0301 8.5986 114.8922 59.0894 28.8691 176.7453 25 L 4.5664 8.4081 118.3185 54.3967 41.9825 177.6440 26 G 3.9571 8.0163 105.1185 46.2593 0.0000 174.9655 27 S 4.4539 7.9039 115.3651 58.5992 64.4274 173.2881 28 T 5.1876 9.3621 120.0195 61.8424 71.7115 173.0129 29 F 5.0878 9.7810 124.8955 55.7119 42.2828 174.1463 30 I 4.8407 8.8425 125.8778 59.5251 39.1885 175.2005 31 V 4.7964 8.6746 126.5487 59.9878 35.0468 174.6535 32 T 4.8263 9.1503 118.6306 61.7961 71.6808 172.9245 33 A 4.9118 8.4329 129.2047 49.9751 19.6187 176.9866 34 G 3.7517 8.8902 110.6253 46.0981 0.0000 173.3551 35 A 4.2144 8.4509 122.8316 54.1827 18.5891 178.4439 36 D 4.4294 7.9582 113.6865 53.7702 40.1622 177.1243 37 G 3.4198 8.2216 108.6689 44.7848 0.0000 173.2232 38 A 4.7214 8.3174 121.9926 51.3667 20.4437 176.5773 39 L 5.3633 8.7202 120.8835 53.1804 44.6303 175.9570 40 T 4.9762 9.5558 113.5337 59.5804 72.7771 174.4584 41 G 3.9358 7.0163 107.7166 46.6366 0.0000 171.2639 42 T 5.1206 8.1204 117.0456 61.8858 72.9761 172.4840 43 Y 4.6355 9.1788 126.1255 55.7711 41.1730 174.1565 44 E 5.1834 8.5588 126.1549 53.5059 33.3730 176.2318 *50 A 4.4577 8.6126 123.1077 52.2558 20.0560 178.1167 51 E 3.6525 7.7335 112.1572 57.7131 30.1513 177.7887 52 S 4.6275 7.8273 113.0692 57.6170 63.4405 172.5814 53 R 4.9613 7.3190 120.3748 55.4418 31.7584 174.7827 54 Y 4.9705 9.3839 122.8392 56.0060 42.7681 174.8587 55 V 4.1549 8.6392 122.5258 62.9858 32.6069 175.1101 56 L 5.1293 8.7461 126.3954 54.3412 43.9315 175.1892 57 T 4.9337 8.7064 114.8157 61.1721 71.4667 173.1611 58 G 4.2566 8.6424 112.8728 46.2610 0.0000 171.7827 59 R 5.5867 8.8149 117.4229 55.0147 34.8530 174.1323 60 Y 5.2481 8.4820 118.6209 55.3353 41.4842 174.4657 61 D 4.3913 9.1934 121.0921 53.7832 41.7977 175.9354 62 S 4.4855 8.1500 120.5933 58.0091 63.7476 175.5140 63 A 4.6591 7.9398 121.3902 50.9912 19.5622 174.3087 64 P 4.6302 0.0000 0.0000 61.2331 32.4282 176.4339 65 A 4.3973 8.2147 122.2560 52.2673 18.9883 177.2286 66 T 4.7209 8.1388 105.6528 61.7848 69.3779 174.6627 67 D 4.6573 8.3214 119.0655 54.4906 39.4863 176.7298 68 G 4.0067 7.7596 106.6366 45.5540 0.0000 174.4357 69 S 4.2855 7.5873 114.7523 57.8966 63.3252 174.2070 70 G 3.9345 8.3782 110.4449 46.6607 0.0000 172.5643 71 T 4.7741 8.6656 116.5029 61.8678 70.0638 174.9089 72 A 4.8242 8.6832 128.9461 52.0244 20.4094 175.9254 73 L 5.1580 8.4304 120.2882 55.2439 44.8390 174.2504 74 G 4.3503 8.9097 104.1319 46.0072 0.0000 172.3502 75 W 5.6908 8.0618 117.0508 55.9561 32.4760 173.2797 76 T 5.4354 9.5492 116.1136 61.9742 72.5604 173.5975 77 V 4.6049 8.9206 124.0616 61.0496 34.8547 173.7624 78 A 4.6155 8.3345 129.4962 49.7550 20.2462 178.0272 79 F 3.7778 8.1241 125.0925 56.0160 37.7026 175.3579 80 K 5.1109 7.5716 120.4708 54.6987 35.8173 174.6080 81 N 5.0165 9.1866 122.7120 52.1263 40.0694 174.3961 82 N 4.6310 8.6794 115.1500 54.2727 38.5407 175.1762 83 Y 4.5899 8.5570 116.3915 58.1336 40.2449 175.4203 84 R 4.5620 7.8489 113.4504 55.5320 32.4662 173.6105 85 N 5.1005 8.4599 116.4361 52.6511 40.6545 173.4815 86 A 4.3432 9.4653 128.8561 51.6880 19.7507 176.1892 87 H 4.1700 9.0008 113.7219 56.1475 26.8715 173.6031 88 S 5.0845 7.4881 111.0418 57.9545 66.7713 174.0363 89 A 5.0296 9.0966 121.1193 50.8669 22.9210 175.2752 90 T 5.0753 8.7153 117.2559 61.7545 72.0779 173.3299 91 T 5.1980 8.4413 115.0675 59.6975 72.0228 172.6317 92 W 5.0448 8.9414 125.1195 54.8664 31.6208 174.6688 93 S 4.8041 8.7716 120.2101 56.3048 64.5755 173.1217 94 G 4.0653 8.2513 114.7002 46.1500 0.0000 171.5116 95 Q 5.1213 8.2282 118.6665 55.1251 32.6764 173.5626 96 Y 4.7456 8.8009 123.6725 57.0631 40.5935 174.0187 97 V 4.3505 8.4431 127.1018 60.9346 33.8297 175.3463 98 G 3.9299 8.6954 115.2430 45.1152 0.0000 173.5587 99 G 3.9985 8.4765 105.9580 44.2642 0.0000 172.0712 100 A 4.0129 8.3821 122.2404 54.4193 18.3318 177.5003 101 E 4.4680 7.8808 115.2664 53.9634 31.3818 174.8783 102 A 4.5431 8.5243 128.3789 52.3312 19.4497 176.3946 103 R 5.3314 8.9717 118.3291 55.0168 35.7535 174.0758 104 I 4.8840 8.6662 121.6391 59.7748 40.0194 174.4210 105 N 5.3460 9.1040 125.7072 52.2855 39.9640 174.5226 106 T 5.3195 8.8572 112.9137 60.1535 73.1926 172.6145 107 Q 5.0931 9.3177 120.3950 53.8954 33.0282 174.7639 108 W 5.4821 8.5862 117.5769 54.7825 32.3986 173.7403 109 L 5.1751 8.6402 121.1041 52.9886 44.3158 175.0186 110 L 5.1915 9.0970 126.3823 53.5729 44.4832 174.9623 111 T 5.1954 9.1240 123.0748 61.9449 71.4642 173.1953 112 S 5.0905 8.6300 122.4426 56.5485 64.8936 174.4823 113 G 3.8465 8.5492 112.2499 46.6918 0.0000 172.9167 114 T 4.8235 8.3129 114.0828 59.4451 72.5383 173.1852 115 T 4.1404 8.0465 111.0949 61.1482 69.7946 175.4438 116 E 4.0055 8.7636 121.8196 59.5113 29.1898 179.4328 117 A 4.1518 8.0716 119.7091 54.6241 18.8142 178.1836 118 N 4.7326 7.9308 112.7905 53.4014 38.8516 176.9330 119 A 4.0856 8.2432 126.7205 54.2303 18.2230 179.9855 120 W 4.3889 8.5140 113.7410 58.6164 28.1311 176.4671 121 K 4.2020 6.6615 118.1141 56.0787 32.2748 177.0751 122 S 4.3443 7.8644 115.3407 60.4228 63.9507 173.3666 123 T 5.7046 7.4566 117.0961 60.7319 71.2063 173.2676 124 L 4.8033 8.6074 126.1254 53.2322 44.1244 175.8266 125 V 4.3365 7.7021 121.0993 60.2547 34.6628 174.9861 126 G 3.1499 6.3279 107.5499 45.8424 0.0000 171.4224 127 H 5.5181 8.4673 113.7436 54.1450 32.0928 172.6558 128 D 5.1347 9.1087 118.6556 53.1218 45.5003 174.4293 129 T 5.1011 9.1991 118.9602 61.8170 71.8237 173.1547 130 F 5.3623 9.1837 124.1003 56.3749 42.5200 174.6565 131 T 5.2869 9.2077 116.8416 62.2291 73.5769 174.5218 132 K 4.1224 8.4494 121.6488 56.7371 32.2309 176.9692 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 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 17 I 7.37 3.69 1.39 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 -0.36 0.56 0.00 0.00 18 T 8.03 3.99 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 1.23 0.00 0.00 19 G 7.81 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 20 T 7.83 4.97 4.06 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 0.78 0.00 0.00 21 W 9.42 4.88 0.00 3.12 3.11 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 22 Y 9.21 5.53 0.00 3.04 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 23 N 9.36 5.20 0.00 2.40 2.67 0.00 0.00 6.61 6.69 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 24 Q 8.60 4.03 0.00 2.21 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 7.55 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 25 L 8.41 4.57 0.00 1.82 1.74 1.00 0.98 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 26 G 8.02 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 27 S 7.90 4.45 0.00 4.46 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 28 T 9.36 5.19 4.14 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 1.01 0.00 0.00 29 F 9.78 5.09 0.00 2.58 2.51 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 30 I 8.84 4.84 1.79 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.54 0.85 0.00 0.00 31 V 8.67 4.80 1.69 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 0.75 0.00 0.00 0.71 0.00 0.00 32 T 9.15 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 1.19 0.00 0.00 33 A 8.43 4.91 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 G 8.89 3.75 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 0.00 0.00 0.00 35 A 8.45 4.21 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 7.96 4.43 0.00 2.78 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 37 G 8.22 3.42 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 0.00 38 A 8.32 4.72 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 39 L 8.72 5.36 0.00 1.80 1.56 0.81 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 40 T 9.56 4.98 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 1.21 0.00 0.00 41 G 7.02 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 42 T 8.12 5.12 4.17 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 0.00 0.00 0.00 1.14 0.00 0.00 43 Y 9.18 4.64 0.00 2.48 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 44 E 8.56 5.18 0.00 1.79 1.52 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 2.20 2.09 0.00 *50 A 8.61 4.46 1.11 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 0.00 0.00 51 E 7.73 3.65 0.00 1.75 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 2.09 1.51 0.00 52 S 7.83 4.63 0.00 3.95 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 53 R 7.32 4.96 0.00 1.68 1.68 0.00 3.13 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.54 0.00 54 Y 9.38 4.97 0.00 2.94 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 55 V 8.64 4.15 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 0.79 0.00 0.00 0.95 0.00 0.00 56 L 8.75 5.13 0.00 1.71 1.62 0.47 -0.02 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 57 T 8.71 4.93 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 1.26 0.00 0.00 58 G 8.64 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 0.00 0.00 0.00 0.00 59 R 8.81 5.59 0.00 1.76 1.79 0.00 3.30 0.00 0.00 3.24 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 60 Y 8.48 5.25 0.00 3.08 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 9.19 4.39 0.00 2.85 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 8.15 4.49 0.00 3.89 3.30 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 63 A 7.94 4.66 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 64 P 0.00 4.63 0.00 2.26 2.19 0.00 3.44 0.00 0.00 4.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 65 A 8.21 4.40 1.33 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 66 T 8.14 4.72 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 8.32 4.66 0.00 2.82 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 7.76 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 69 S 7.59 4.29 0.00 3.95 3.83 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 70 G 8.38 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 71 T 8.67 4.77 4.50 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 1.47 0.00 0.00 72 A 8.68 4.82 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 73 L 8.43 5.16 0.00 2.03 1.92 0.95 0.66 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 74 G 8.91 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 0.00 0.00 0.00 0.00 75 W 8.06 5.69 0.00 3.55 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 76 T 9.55 5.44 4.33 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 1.31 0.00 0.00 77 V 8.92 4.60 1.89 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 0.15 0.00 0.00 0.93 0.00 0.00 78 A 8.33 4.62 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 F 8.12 3.78 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 80 K 7.57 5.11 0.00 1.84 1.68 0.00 1.78 0.00 0.00 1.79 0.00 0.00 3.07 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.45 7.81 81 N 9.19 5.02 0.00 2.93 2.92 0.00 0.00 6.61 7.53 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 82 N 8.68 4.63 0.00 2.26 2.51 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 8.56 4.59 0.00 2.97 2.97 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 84 R 7.85 4.56 0.00 2.11 2.13 0.00 2.96 0.00 0.00 3.45 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.66 0.00 85 N 8.46 5.10 0.00 2.66 2.64 0.00 0.00 6.89 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 9.47 4.34 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 9.00 4.17 0.00 3.32 3.34 0.00 5.66 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 7.49 5.08 0.00 4.02 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 9.10 5.03 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 90 T 8.72 5.08 3.83 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 -0.18 0.00 0.00 91 T 8.44 5.20 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 1.22 0.00 0.00 92 W 8.94 5.04 0.00 1.91 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 0.00 0.00 0.00 0.00 93 S 8.77 4.80 0.00 3.79 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 8.25 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 95 Q 8.23 5.12 0.00 2.31 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 6.90 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 96 Y 8.80 4.75 0.00 3.03 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 97 V 8.44 4.35 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 0.83 0.00 0.00 0.89 0.00 0.00 98 G 8.70 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 99 G 8.48 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 8.38 4.01 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 0.00 101 E 7.88 4.47 0.00 1.90 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 2.20 2.28 0.00 102 A 8.52 4.54 1.49 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 0.00 0.00 0.00 103 R 8.97 5.33 0.00 1.83 2.05 0.00 3.11 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 104 I 8.67 4.88 1.72 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.20 0.93 0.00 0.00 105 N 9.10 5.35 0.00 2.68 2.78 0.00 0.00 6.06 6.58 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 0.00 106 T 8.86 5.32 4.46 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 1.21 0.00 0.00 107 Q 9.32 5.09 0.00 1.87 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.76 0.00 0.00 0.00 0.00 0.00 2.18 2.24 0.00 108 W 8.59 5.48 0.00 2.62 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 0.00 109 L 8.64 5.18 0.00 1.56 1.56 0.88 0.37 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 0.00 110 L 9.10 5.19 0.00 1.69 1.70 0.98 0.38 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 0.00 111 T 9.12 5.20 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 0.00 112 S 8.63 5.09 0.00 3.72 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 0.00 113 G 8.55 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 8.31 4.82 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 1.19 0.00 0.00 115 T 8.05 4.14 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 1.21 0.00 0.00 116 E 8.76 4.01 0.00 2.05 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 0.00 2.41 2.39 0.00 117 A 8.07 4.15 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 0.00 118 N 7.93 4.73 0.00 2.87 2.73 0.00 0.00 6.80 8.05 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 0.00 119 A 8.24 4.09 1.41 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 0.00 0.00 0.00 120 W 8.51 4.39 0.00 3.57 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 0.00 121 K 6.66 4.20 0.00 1.11 0.74 0.00 0.84 0.00 0.00 0.61 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.80 0.84 7.81 122 S 7.86 4.34 0.00 4.19 4.16 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 0.00 123 T 7.46 5.70 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 1.19 0.00 0.00 124 L 8.61 4.80 0.00 1.83 1.74 1.02 0.83 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 0.00 125 V 7.70 4.34 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 0.52 0.00 0.00 0.65 0.00 0.00 126 G 6.33 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 0.00 0.00 0.00 127 H 8.47 5.52 0.00 3.22 3.14 0.00 5.67 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 0.00 128 D 9.11 5.13 0.00 2.99 2.13 0.00 0.00 0.00 0.00 0.00 0.00 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 9.20 5.10 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 1.29 0.00 0.00 130 F 9.18 5.36 0.00 3.01 3.18 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 0.00 131 T 9.21 5.29 4.43 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 1.32 0.00 0.00 132 K 8.45 4.12 0.00 1.34 1.47 0.00 1.33 0.00 0.00 1.30 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.96 0.21 7.81 * Residues marked with a * may have inaccurate shift predictions.