NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 S 4.4658 8.1927 115.4164 57.7677 65.0571 172.7891 9 T 4.0115 7.2529 113.8049 61.0985 69.5865 169.4228 10 G 3.5801 10.2133 108.7466 45.9645 0.0000 174.3329 11 F 3.9456 9.3256 134.1716 57.8999 37.6045 175.9316 12 L 4.4440 8.3313 113.0343 51.8165 45.0362 176.3592 13 V 3.7559 8.1108 119.3486 62.2460 31.6488 176.8335 14 K 4.1320 8.3589 122.6523 56.1264 33.4449 178.0516 15 Q 3.7857 8.7512 124.5990 59.5140 28.8977 178.9453 16 R 3.9514 8.0453 118.7677 59.2127 30.1933 178.0548 17 A 4.6950 8.0591 121.4290 54.7620 18.3265 178.7361 18 F 3.9846 8.4039 119.1391 61.7590 39.3672 177.2030 19 L 4.2711 8.6567 118.4516 58.1947 41.4785 179.5909 20 K 3.8663 8.3444 118.1447 59.5520 31.9742 179.0231 21 L 4.0785 8.2022 120.3527 58.4164 42.0396 178.4587 22 Y 3.8336 7.7861 116.5560 61.5257 37.9085 178.6687 23 M 4.0655 8.2254 119.3016 58.6394 32.0225 178.9879 24 I 3.8287 8.1851 120.1443 64.7002 37.2068 178.6904 25 T 4.1573 7.9939 116.6085 66.9375 68.3679 176.6886 26 M 4.0568 8.7052 120.9495 58.6830 31.8591 178.9832 27 T 3.6094 7.8865 115.8248 66.5786 68.2973 176.4286 28 E 4.2667 8.4089 119.7730 59.3704 29.5656 178.5370 29 Q 4.3083 8.0031 115.3896 54.7870 29.6106 175.2389 30 E 3.7051 8.4625 118.7783 56.8952 27.0100 175.5736 31 R 4.3060 7.6708 109.1829 55.9784 31.0763 176.1215 32 L 4.2695 7.9217 123.7509 55.4947 42.1928 174.5463 33 Y 4.7030 8.3545 124.0892 56.5917 39.7005 177.0528 34 G 3.7777 9.6169 111.5992 50.0916 0.0000 175.3319 35 L 4.3410 8.3329 119.9483 57.3605 42.2722 178.7746 36 K 3.8504 8.6256 117.2327 60.9785 32.7887 181.9807 37 L 3.0898 7.1994 118.2775 56.2750 45.3914 176.5591 38 L 3.8365 8.1047 122.9550 58.1543 42.3214 179.1308 39 K 3.8235 8.1935 118.0427 59.6961 31.7394 178.8416 40 V 3.5441 7.7569 116.1819 66.1559 31.7315 177.6649 41 L 4.0684 7.7813 118.1776 58.0505 41.5904 179.4199 42 Q 3.9781 8.0351 117.9187 59.1692 28.3334 179.2484 43 S 4.1039 7.8099 113.3636 61.1901 62.4562 175.6273 44 E 3.8132 7.8062 120.6858 58.4561 29.3876 177.7735 45 F 4.9193 7.6116 114.9169 56.9552 40.9358 175.4330 46 K 4.0420 7.6394 122.0254 58.3105 32.1738 176.1746 47 E 4.2165 9.7673 125.2818 56.2092 28.3558 174.8601 48 I 4.5910 7.7958 116.0582 61.2761 39.3480 176.0943 49 G 4.0598 8.5585 107.2433 45.9831 0.0000 173.1142 50 F 4.9275 7.7745 121.5324 55.7615 41.0429 174.6351 51 K 4.1144 8.2306 128.2354 53.7057 33.5675 173.6934 52 P 4.1884 0.0000 0.0000 62.0367 32.2174 176.4957 53 N 4.9083 8.2203 118.8416 51.2897 40.7733 175.3692 54 H 4.1052 8.7889 120.4626 60.2381 29.6971 177.0791 55 T 3.9918 8.1383 116.4619 66.7336 68.2508 176.1058 56 E 3.9647 8.8789 120.6762 59.6275 29.4932 179.6501 57 V 3.4138 7.6868 118.0143 66.2167 31.5492 177.6346 58 Y 3.9277 8.2458 116.7609 60.5300 37.7061 177.8828 59 R 3.9918 8.3735 120.1153 59.4426 30.3045 178.7161 60 S 4.0612 8.2964 115.1251 61.5689 62.7755 176.1631 61 L 3.7304 7.9084 123.1044 58.8083 41.6772 178.9296 62 H 4.3249 8.6195 116.0955 58.6108 28.6185 177.6307 63 E 3.9880 8.5434 121.0100 59.5191 29.3455 179.4102 64 L 4.1437 7.7765 118.4393 57.4005 41.5604 179.7176 65 L 4.2640 7.5522 120.5237 57.2225 41.5528 178.6875 66 D 4.4317 8.1961 117.7750 57.9455 40.9784 178.9383 67 D 4.5504 8.3998 117.6429 55.6470 40.8154 177.6669 68 G 4.0452 8.0927 107.5680 45.3109 0.0000 175.2157 69 I 3.8527 8.1933 123.1263 63.2472 37.9419 176.1099 70 L 5.3972 7.9930 121.0420 52.6492 44.8526 175.8384 71 K 4.6676 8.5167 121.3550 55.2628 35.3388 175.2939 72 Q 4.4401 8.5984 123.0138 55.6563 30.3899 174.0329 73 I 4.7429 8.0215 123.1666 59.3021 42.3640 173.6156 74 K 4.5628 8.3400 122.3346 54.3756 34.8816 175.2022 75 V 4.3700 8.8542 114.3634 57.6448 37.3371 171.1129 76 K 3.9698 8.3501 130.2542 55.9296 33.8106 175.3936 77 K 4.6587 8.1203 125.0845 53.8088 35.3128 174.7719 78 E 3.8342 8.4547 121.5933 57.6162 30.0576 177.6982 79 G 3.7679 8.5969 108.7145 46.0514 0.0000 173.2527 *83 Q 4.1979 7.5738 116.5279 55.7690 30.1200 174.6485 84 E 4.3375 8.0666 115.7131 56.8497 32.9982 172.9394 85 V 3.3709 7.6598 124.1349 62.0982 32.7558 170.5946 86 V 4.5492 8.0473 125.3489 60.8008 33.3122 173.9743 87 L 4.8678 8.1443 129.0884 53.3175 45.1050 174.4638 88 Y 4.5465 8.8230 124.0924 57.4638 39.0647 174.8718 89 Q 4.5883 8.7313 121.3451 53.5287 33.3843 174.8707 90 F 4.7589 8.4837 119.3007 58.1692 39.2059 174.6948 91 K 4.3607 9.7599 123.5322 57.3741 34.2738 176.1646 92 D 4.9397 7.5963 119.4409 51.5832 40.8710 175.0387 93 Y 3.9418 8.1347 123.7688 60.2963 39.0983 177.0714 94 E 3.6370 8.1719 118.9322 59.1112 29.5670 178.9392 95 A 3.9559 7.9207 120.3578 54.9677 18.3380 179.3489 96 A 3.9572 7.8927 119.3682 55.3196 18.4391 179.8589 97 K 3.6634 7.6399 118.0504 59.1705 32.2103 178.8416 98 L 3.8552 7.5846 120.4181 58.3172 42.0438 178.1973 99 Y 4.1230 8.1161 119.3967 60.7593 38.7111 178.2302 100 K 3.9386 7.9280 119.3482 59.4982 32.0524 179.4015 101 K 3.9024 7.8968 118.3361 59.4841 31.9588 179.1563 102 Q 3.9272 8.3694 118.6186 59.2727 28.5693 179.4375 103 L 3.8770 7.8432 119.7058 57.1811 41.5367 179.2271 104 K 4.0739 7.9502 119.8702 59.6149 32.1687 178.6049 105 V 3.5266 7.4241 118.3725 66.1241 31.3293 177.6814 106 E 3.8378 7.9901 118.5898 59.2740 29.5144 178.4905 107 L 3.9010 8.6997 120.0798 58.1269 41.7800 179.0423 108 D 4.3840 8.6063 118.8328 57.7393 40.8160 179.5683 109 R 3.8490 7.7430 118.2403 59.5446 30.1175 178.3008 110 C 3.9447 7.8353 116.4618 62.7841 28.1590 175.8174 111 K 3.8578 8.1156 121.1200 59.6121 31.5779 178.8345 112 K 3.9223 8.0486 118.4400 59.3508 32.0205 178.9657 113 L 3.9424 8.3733 120.8551 58.4368 41.9788 179.1710 114 I 3.7883 8.1941 120.0166 64.3631 37.0976 178.3406 115 E 4.0250 8.1937 119.6831 58.9489 29.2001 179.2428 116 K 3.8963 8.5277 119.9859 59.4719 31.9372 178.3939 117 A 4.0401 7.9528 121.0489 55.5800 18.0881 179.7054 118 L 4.2041 8.0789 117.4591 57.7117 41.5592 179.2371 119 S 4.3690 7.8952 111.2816 59.6793 63.5733 175.1682 120 D 4.6466 8.0408 121.6252 55.4315 41.0509 176.3362 121 N 4.7472 7.6085 113.0936 52.1048 41.0253 174.4057 122 F 4.4728 7.6744 121.5991 57.6050 39.9726 174.4399 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 8 S 8.19 4.47 0.00 3.96 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 0.00 9 T 7.25 4.01 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 1.20 0.00 0.00 10 G 10.21 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 9.33 3.95 0.00 3.07 3.01 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 12 L 8.33 4.44 0.00 1.15 1.21 0.55 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 13 V 8.11 3.76 2.15 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 0.72 0.00 0.00 0.99 0.00 0.00 14 K 8.36 4.13 0.00 1.82 1.81 0.00 1.77 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.48 1.47 7.81 15 Q 8.75 3.79 0.00 1.96 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.91 0.00 0.00 0.00 0.00 0.00 2.53 2.47 0.00 16 R 8.05 3.95 0.00 1.97 1.97 0.00 3.35 0.00 0.00 3.41 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.74 0.00 17 A 8.06 4.69 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.40 3.98 0.00 3.23 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 19 L 8.66 4.27 0.00 1.98 1.80 0.97 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.34 3.87 0.00 1.98 1.69 0.00 1.51 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.83 7.81 21 L 8.20 4.08 0.00 1.86 1.82 0.91 0.67 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 22 Y 7.79 3.83 0.00 3.37 3.13 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 23 M 8.23 4.07 0.00 1.98 2.23 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.58 0.00 24 I 8.19 3.83 2.11 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.63 1.19 0.00 0.00 25 T 7.99 4.16 4.27 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 1.18 0.00 0.00 26 M 8.71 4.06 0.00 2.00 2.31 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.63 0.00 27 T 7.89 3.61 3.66 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 0.10 0.00 0.00 28 E 8.41 4.27 0.00 2.24 2.15 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 2.59 2.97 0.00 29 Q 8.00 4.31 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.73 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 30 E 8.46 3.71 0.00 2.08 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 2.19 2.20 0.00 31 R 7.67 4.31 0.00 1.92 1.99 0.00 3.11 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 32 L 7.92 4.27 0.00 1.64 1.67 0.75 0.89 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 33 Y 8.35 4.70 0.00 3.16 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 34 G 9.62 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 0.00 0.00 0.00 35 L 8.33 4.34 0.00 1.66 1.77 0.97 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.63 3.85 0.00 1.97 2.08 0.00 1.58 0.00 0.00 1.73 0.00 0.00 2.50 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.58 1.54 7.81 37 L 7.20 3.09 0.00 2.24 2.09 0.88 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.10 3.84 0.00 1.87 1.75 0.89 0.91 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 39 K 8.19 3.82 0.00 1.81 1.88 0.00 1.77 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.58 1.49 7.81 40 V 7.76 3.54 2.27 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 0.88 0.00 0.00 0.98 0.00 0.00 41 L 7.78 4.07 0.00 1.74 1.78 0.90 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 42 Q 8.04 3.98 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 43 S 7.81 4.10 0.00 3.86 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 0.00 44 E 7.81 3.81 0.00 1.29 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 2.11 2.16 0.00 45 F 7.61 4.92 0.00 3.17 3.16 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 46 K 7.64 4.04 0.00 1.84 1.73 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.55 7.81 47 E 9.77 4.22 0.00 2.07 2.34 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 2.17 2.29 0.00 48 I 7.80 4.59 2.06 0.00 0.00 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 1.34 0.93 1.00 0.00 0.00 49 G 8.56 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 0.00 0.00 0.00 0.00 50 F 7.77 4.93 0.00 2.73 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 51 K 8.23 4.11 0.00 1.63 1.59 0.00 1.80 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.20 1.34 7.81 52 P 0.00 4.19 0.00 1.89 1.71 0.00 3.44 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.92 0.00 53 N 8.22 4.91 0.00 3.01 2.93 0.00 0.00 5.71 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 54 H 8.79 4.11 0.00 3.29 3.45 0.00 5.68 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 T 8.14 3.99 4.41 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 1.27 0.00 0.00 56 E 8.88 3.96 0.00 2.14 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 0.00 2.54 2.77 0.00 57 V 7.69 3.41 1.78 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 0.56 0.00 0.00 0.85 0.00 0.00 58 Y 8.25 3.93 0.00 3.17 2.99 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 0.00 0.00 0.00 59 R 8.37 3.99 0.00 1.99 2.23 0.00 3.18 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 60 S 8.30 4.06 0.00 3.97 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 61 L 7.91 3.73 0.00 1.48 1.55 0.29 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 62 H 8.62 4.32 0.00 3.29 3.35 0.00 5.70 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 E 8.54 3.99 0.00 2.12 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 2.35 2.53 0.00 64 L 7.78 4.14 0.00 1.78 1.63 0.80 0.15 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 65 L 7.55 4.26 0.00 1.88 1.76 1.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 66 D 8.20 4.43 0.00 2.62 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 67 D 8.40 4.55 0.00 2.57 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 68 G 8.09 4.05 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 0.00 0.00 0.00 69 I 8.19 3.85 1.97 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 1.17 0.74 1.04 0.00 0.00 70 L 7.99 5.40 0.00 1.60 1.69 0.72 0.61 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 71 K 8.52 4.67 0.00 1.85 1.95 0.00 1.32 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.36 7.81 72 Q 8.60 4.44 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.84 0.00 0.00 0.00 0.00 0.00 2.21 2.08 0.00 73 I 8.02 4.74 1.82 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 1.28 1.15 0.88 0.00 0.00 74 K 8.34 4.56 0.00 1.60 1.76 0.00 1.81 0.00 0.00 0.61 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.28 1.19 7.81 75 V 8.85 4.37 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 0.58 0.00 0.00 1.03 0.00 0.00 76 K 8.35 3.97 0.00 1.91 1.89 0.00 1.57 0.00 0.00 1.62 0.00 0.00 2.80 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 1.46 7.81 77 K 8.12 4.66 0.00 1.68 1.60 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.30 1.46 7.81 78 E 8.45 3.83 0.00 1.96 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 0.00 2.32 2.41 0.00 79 G 8.60 3.77 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 0.00 0.00 0.00 *83 Q 7.57 4.20 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.20 6.78 0.00 0.00 0.00 0.00 0.00 2.25 2.44 0.00 84 E 8.07 4.34 0.00 1.96 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 0.00 2.28 2.26 0.00 85 V 7.66 3.37 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 0.99 0.00 0.00 0.92 0.00 0.00 86 V 8.05 4.55 2.04 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 0.87 0.00 0.00 0.90 0.00 0.00 87 L 8.14 4.87 0.00 1.65 1.29 0.04 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 88 Y 8.82 4.55 0.00 2.78 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 Q 8.73 4.59 0.00 1.93 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.98 0.00 0.00 0.00 0.00 0.00 2.16 2.20 0.00 90 F 8.48 4.76 0.00 2.96 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 91 K 9.76 4.36 0.00 1.81 1.95 0.00 1.78 0.00 0.00 1.78 0.00 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.39 1.39 7.81 92 D 7.60 4.94 0.00 2.86 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 93 Y 8.13 3.94 0.00 2.68 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 94 E 8.17 3.64 0.00 2.13 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 2.36 2.29 0.00 95 A 7.92 3.96 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 96 A 7.89 3.96 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 97 K 7.64 3.66 0.00 1.54 1.54 0.00 1.28 0.00 0.00 0.64 0.00 0.00 2.70 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.19 0.92 7.81 98 L 7.58 3.86 0.00 1.94 1.66 0.87 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 99 Y 8.12 4.12 0.00 3.22 3.10 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 0.00 0.00 0.00 0.00 100 K 7.93 3.94 0.00 1.94 1.84 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.52 1.74 7.81 101 K 7.90 3.90 0.00 1.93 1.80 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.41 1.43 7.81 102 Q 8.37 3.93 0.00 2.06 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 103 L 7.84 3.88 0.00 1.72 1.59 0.85 -0.16 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 0.00 104 K 7.95 4.07 0.00 1.82 1.96 0.00 1.68 0.00 0.00 1.53 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.46 7.81 105 V 7.42 3.53 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 0.90 0.00 0.00 0.89 0.00 0.00 106 E 7.99 3.84 0.00 2.06 2.02 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 2.25 2.35 0.00 107 L 8.70 3.90 0.00 1.77 1.70 0.87 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 108 D 8.61 4.38 0.00 2.74 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 0.00 109 R 7.74 3.85 0.00 1.98 2.01 0.00 3.08 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 110 C 7.84 3.94 0.00 3.10 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 0.00 111 K 8.12 3.86 0.00 1.82 1.97 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.50 7.81 112 K 8.05 3.92 0.00 2.14 1.83 0.00 1.60 0.00 0.00 1.56 0.00 0.00 3.20 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.48 7.81 113 L 8.37 3.94 0.00 1.75 1.75 0.96 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 114 I 8.19 3.79 1.86 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 1.63 0.63 0.92 0.00 0.00 115 E 8.19 4.03 0.00 2.29 2.01 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 2.34 2.32 0.00 116 K 8.53 3.90 0.00 1.80 2.00 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.52 7.81 117 A 7.95 4.04 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 0.00 118 L 8.08 4.20 0.00 1.94 1.82 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 119 S 7.90 4.37 0.00 4.09 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 0.00 120 D 8.04 4.65 0.00 2.76 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 0.00 121 N 7.61 4.75 0.00 1.94 1.99 0.00 0.00 6.73 7.33 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 0.00 122 F 7.67 4.47 0.00 3.32 2.89 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 * Residues marked with a * may have inaccurate shift predictions.