NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 31 P 4.1526 0.0000 0.0000 61.9393 32.8412 175.8164 32 A 3.9692 8.5310 127.1053 53.9714 18.3356 172.7841 33 V 4.3783 8.1937 114.2742 60.1583 35.3890 171.7961 34 P 4.3448 0.0000 0.0000 62.4306 31.2991 175.8540 35 A 4.2561 7.9436 123.0953 51.2053 21.7009 175.3681 36 V 4.5912 8.0109 114.7712 59.6997 34.4408 175.1322 37 F 4.8823 8.8946 121.7391 55.7952 41.4138 174.5830 38 L 5.0228 8.5342 122.8726 52.7118 44.0418 175.9753 *40 K 4.1586 8.5177 123.3597 56.2051 33.2189 175.6255 41 T 4.2230 9.1547 124.0550 63.3763 69.0418 175.2012 42 I 3.6921 8.6439 123.7853 64.0298 38.1200 176.6035 43 E 4.3303 8.2241 118.3674 56.1169 29.2967 177.7328 44 G 3.9887 8.1088 109.4651 45.0724 0.0000 174.2002 45 E 4.1307 7.8633 120.6490 56.4462 31.0918 175.2342 46 D 5.2133 8.6201 125.5206 53.6238 41.6564 175.8424 47 I 4.8682 8.4715 123.9693 59.4302 40.3883 174.8789 48 S 5.6721 8.4319 117.3188 55.9755 67.3413 173.2048 49 I 4.8650 8.2419 120.7448 59.3276 40.5139 173.3052 50 P 4.8735 0.0000 0.0000 62.0894 32.8802 175.3535 51 N 4.7453 8.4340 117.2599 50.9308 39.3815 175.5381 52 K 3.6158 9.0262 123.0357 58.4898 32.7068 176.7142 53 G 4.0551 8.8083 116.2151 45.6141 0.0000 172.0662 54 Q 4.6048 7.3289 114.9377 54.8021 32.3122 173.8677 55 K 4.5229 8.5509 126.0667 56.4850 34.1640 175.5911 56 T 5.2128 8.8046 121.3030 61.9311 72.4745 172.9059 57 I 4.9733 9.1398 127.7405 60.0313 38.9902 174.2766 58 L 5.6152 8.9214 130.1008 52.8680 44.1596 174.4989 59 H 5.4171 8.5983 125.2091 54.3938 33.1339 171.6234 60 F 5.3192 8.8923 124.4015 55.6029 41.6597 174.6830 61 W 4.9092 8.2504 119.0726 56.0184 31.7885 172.9075 62 T 4.6790 8.0911 109.7551 59.5313 70.9543 174.3293 63 S 3.6685 9.1439 117.7145 60.2789 63.1200 175.5363 64 W 4.4277 7.4460 116.4663 57.6442 28.8766 176.2146 65 C 3.6418 6.7267 119.9516 58.8828 31.4125 171.8890 66 P 4.2887 0.0000 0.0000 65.5356 30.7362 176.9392 67 P 4.2743 0.0000 0.0000 65.5105 31.2419 178.6142 68 C 4.1807 7.9262 115.3043 62.5286 27.9546 175.4650 69 K 3.9719 8.0952 120.6441 59.6154 31.8962 178.3685 70 K 4.2059 7.6366 115.7846 58.4168 32.9294 177.6271 71 E 4.2634 7.6983 119.2800 57.9653 29.8370 177.6192 72 L 3.8870 7.9851 119.4556 57.4802 41.5496 177.6474 73 P 4.3793 0.0000 0.0000 65.2937 31.2416 178.3977 74 Q 3.8844 7.9821 118.8328 59.1773 28.8967 178.2558 75 F 3.9039 8.0238 118.3547 59.9809 38.8910 177.5252 76 Q 4.3525 8.3599 119.4709 59.2828 28.9800 177.9984 77 S 4.1002 8.3771 114.4306 61.4778 62.5089 175.7229 78 F 4.1735 8.1640 123.1614 61.6722 38.8521 176.4088 79 Y 3.7848 8.0450 117.6250 60.8125 38.6662 177.5197 80 D 4.3574 8.3253 118.8537 57.1600 41.0066 178.2760 81 A 3.9916 7.9893 120.1906 52.5828 19.7799 176.7882 82 H 3.5801 7.3083 114.9298 56.6252 28.4956 172.3332 83 P 4.3386 0.0000 0.0000 64.6931 32.0311 177.3320 84 S 4.7402 7.4935 109.7795 56.5127 65.1465 172.9736 85 D 4.7087 8.6125 123.9960 54.9074 41.9731 177.2783 86 S 4.7550 7.9176 112.9085 57.9212 64.3399 173.6568 87 V 4.9344 7.6517 119.8299 61.2540 34.4224 174.2032 88 K 4.6379 9.5780 129.8631 54.5427 34.4772 174.4205 89 L 5.1651 8.8658 130.4271 54.4082 42.9056 175.8436 90 V 4.6315 8.9373 126.5015 60.1583 34.4780 174.6188 91 T 4.9586 8.6587 120.2332 61.6835 71.8572 173.2033 92 V 4.5080 8.9686 126.9113 60.9107 33.6170 173.8518 93 N 3.6472 8.9246 128.3757 52.6510 40.0959 174.9532 94 L 4.5261 8.0376 127.9489 53.2205 40.4508 177.6870 95 V 3.6998 7.5213 121.8328 63.9083 31.9155 178.8506 96 N 4.5038 8.0768 115.6188 54.8856 38.5378 175.3932 97 S 4.7636 8.0544 113.9209 58.1276 63.1002 173.4670 98 E 4.8626 7.8485 120.0238 54.1414 31.8978 175.8354 99 Q 4.0105 8.5534 121.5489 58.4638 28.9716 176.6677 100 N 4.6693 7.3645 111.4881 51.1473 39.8456 174.4053 101 Q 3.8687 8.5225 117.6979 59.3225 28.9563 177.7051 102 Q 3.9571 8.1358 120.3732 59.0205 29.0798 178.1747 103 V 3.6355 8.2807 119.4232 65.9503 31.4968 178.1690 104 V 3.6446 7.4396 117.3804 66.1315 31.4085 177.4211 105 E 3.9822 8.2916 118.4923 59.9742 29.3229 179.4545 106 D 4.3862 8.5966 118.7605 57.2653 40.8481 178.6445 107 F 4.1122 8.5344 121.1483 61.4065 39.4529 177.1261 108 I 3.6748 8.4099 119.7606 64.2430 36.9725 178.2200 109 K 3.7992 8.2000 120.0440 59.6484 31.8777 178.6169 110 A 3.9837 8.4215 119.9416 54.7524 18.3347 178.3310 111 N 4.4370 7.8165 112.0298 51.7700 39.3156 175.1685 112 K 3.6987 7.5644 118.8611 57.1429 30.3796 175.6414 113 L 4.1025 7.6111 117.9759 54.8180 41.9639 177.6478 114 T 4.2902 8.7370 119.9857 63.0345 70.4351 174.6027 115 F 2.9514 6.5593 115.8123 54.8674 38.9239 172.9697 116 P 4.7928 0.0000 0.0000 62.4134 32.3059 175.5066 117 I 5.0885 8.6817 125.2107 59.4817 40.2810 174.6575 118 V 4.6135 9.3056 128.0176 60.9933 34.1202 174.1723 119 L 4.5936 8.3705 127.3978 53.1691 42.3419 177.4403 120 D 4.6186 8.4438 127.1270 53.1292 39.8966 176.9986 121 S 4.1239 7.8595 118.2296 61.2851 62.6636 176.1628 122 K 4.1960 8.1048 117.3709 56.0126 32.4602 177.9012 123 G 3.8612 7.8352 106.9867 45.4442 0.0000 174.7335 124 E 4.1922 7.7831 119.0419 59.0702 29.9052 179.5961 125 L 3.9712 8.0107 114.3660 55.7101 41.4092 178.4895 *127 K 4.1478 8.1613 121.6052 56.4752 33.8818 177.5880 128 E 3.7943 8.6926 119.6977 58.7512 29.6230 177.3344 129 Y 4.1223 7.9105 113.5516 56.9148 38.4903 175.0872 130 H 3.9889 7.3417 115.7677 56.7949 26.7765 175.8062 131 I 3.9811 7.4903 118.7928 61.1565 37.4497 176.4420 132 I 4.4924 8.3436 124.9145 60.9361 39.5112 175.8250 133 T 4.7460 7.7386 115.6484 61.3794 71.7699 173.1237 134 I 4.7366 7.8897 116.8389 58.3864 40.8647 173.3268 135 P 4.8666 0.0000 0.0000 62.4196 32.9260 175.3115 136 T 5.1057 8.3597 117.7283 62.1276 72.9262 173.0518 137 S 5.3608 9.2316 121.4316 56.8617 67.2994 173.1029 138 F 5.4355 9.5304 121.2921 55.6703 43.3650 173.7034 139 L 4.9169 8.4858 124.1246 53.5220 43.6904 175.0688 140 L 5.3149 9.0458 127.1508 53.0853 44.8378 176.7981 141 N 5.1069 8.5365 120.0152 51.6163 39.2353 175.6085 142 E 4.1823 8.6643 116.5780 58.8434 29.4621 178.0467 143 K 4.2486 8.2322 116.3207 55.8960 32.5759 177.2774 144 G 4.0005 8.3160 107.4867 45.5069 0.0000 173.7913 145 E 4.1475 8.4067 119.8940 55.6956 30.1486 176.2684 146 I 4.4948 8.1701 123.7770 61.0361 37.3849 175.4642 147 E 4.3125 9.2958 126.4932 58.0405 30.3974 177.5445 148 K 4.6387 7.5927 117.0669 54.6723 36.4577 175.5712 149 T 5.0777 8.6295 119.4336 61.6447 71.9577 173.2109 150 K 4.5510 9.4075 127.2885 54.8062 35.2392 174.6311 151 I 4.5810 8.3456 128.8888 61.1452 38.4259 175.6066 152 G 3.7671 9.0866 113.5211 43.6336 0.0000 170.8005 153 P 4.8062 0.0000 0.0000 61.7946 32.1215 176.4254 *155 T 3.9238 8.0612 107.9710 61.5752 70.8931 174.2780 156 A 3.6912 8.1435 123.3060 55.4176 18.1942 179.9944 157 E 3.8475 7.8568 117.3219 59.4284 29.8256 178.8132 158 Q 3.7629 7.7200 117.9915 58.6285 28.4218 178.6346 159 L 3.2766 7.1169 119.3905 57.2092 41.6925 179.0980 160 K 4.2437 7.8029 119.6525 59.4843 32.1727 178.4557 161 E 4.4283 8.1930 121.0297 58.6632 29.3307 178.8269 162 W 4.5115 8.0154 117.9112 59.8280 29.0813 178.0903 163 T 4.2752 7.9200 115.0613 65.7906 68.1937 174.5072 164 E 4.2006 8.2533 125.1365 56.5681 29.6044 176.3750 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 31 P 0.00 4.15 0.00 1.83 1.36 0.00 3.59 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.77 0.00 32 A 8.53 3.97 1.21 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 0.00 0.00 0.00 33 V 8.19 4.38 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 0.78 0.00 0.00 0.90 0.00 0.00 34 P 0.00 4.34 0.00 2.03 1.95 0.00 3.72 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 1.99 2.03 0.00 35 A 7.94 4.26 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 V 8.01 4.59 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 0.71 0.00 0.00 0.90 0.00 0.00 37 F 8.89 4.88 0.00 3.04 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 38 L 8.53 5.02 0.00 1.54 1.59 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 *40 K 8.52 4.16 0.00 1.76 1.78 0.00 1.80 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.68 7.81 41 T 9.15 4.22 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 1.37 0.00 0.00 42 I 8.64 3.69 2.05 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 1.32 0.63 0.91 0.00 0.00 43 E 8.22 4.33 0.00 2.11 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 2.32 2.32 0.00 44 G 8.11 3.99 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 0.00 0.00 0.00 45 E 7.86 4.13 0.00 2.10 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 2.41 2.38 0.00 46 D 8.62 5.21 0.00 2.62 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 47 I 8.47 4.87 1.91 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.55 0.96 0.00 0.00 48 S 8.43 5.67 0.00 3.90 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 49 I 8.24 4.87 2.15 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 1.45 1.01 1.01 0.00 0.00 50 P 0.00 4.87 0.00 2.12 2.15 0.00 3.56 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.20 0.00 51 N 8.43 4.75 0.00 2.82 2.83 0.00 0.00 6.86 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 52 K 9.03 3.62 0.00 1.73 1.79 0.00 1.94 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.49 7.81 53 G 8.81 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 54 Q 7.33 4.60 0.00 2.20 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.94 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 55 K 8.55 4.52 0.00 2.09 1.69 0.00 1.64 0.00 0.00 1.66 0.00 0.00 3.09 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.61 1.41 7.81 56 T 8.80 5.21 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 1.33 0.00 0.00 57 I 9.14 4.97 2.13 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.86 1.23 0.00 0.00 58 L 8.92 5.62 0.00 1.78 1.68 0.63 0.02 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 59 H 8.60 5.42 0.00 3.12 2.81 0.00 5.88 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 F 8.89 5.32 0.00 3.04 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 W 8.25 4.91 0.00 3.33 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 62 T 8.09 4.68 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 0.94 0.00 0.00 63 S 9.14 3.67 0.00 2.72 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 64 W 7.45 4.43 0.00 3.55 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 65 C 6.73 3.64 0.00 2.16 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 66 P 0.00 4.29 0.00 2.23 2.14 0.00 3.68 0.00 0.00 4.07 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 67 P 0.00 4.27 0.00 2.13 2.08 0.00 3.55 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.17 0.00 68 C 7.93 4.18 0.00 3.15 3.02 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 69 K 8.10 3.97 0.00 2.00 2.04 0.00 2.00 0.00 0.00 1.87 0.00 0.00 3.49 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.62 1.76 7.81 70 K 7.64 4.21 0.00 1.93 1.94 0.00 1.66 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.63 1.44 7.81 71 E 7.70 4.26 0.00 2.22 2.16 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 2.44 2.36 0.00 72 L 7.99 3.89 0.00 1.93 1.71 0.20 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 73 P 0.00 4.38 0.00 2.16 2.11 0.00 3.62 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.14 0.00 74 Q 7.98 3.88 0.00 2.26 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.82 0.00 0.00 0.00 0.00 0.00 2.18 2.27 0.00 75 F 8.02 3.90 0.00 2.64 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 0.00 0.00 0.00 76 Q 8.36 4.35 0.00 2.49 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.78 0.00 0.00 0.00 0.00 0.00 2.44 2.67 0.00 77 S 8.38 4.10 0.00 3.94 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 78 F 8.16 4.17 0.00 2.94 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 79 Y 8.05 3.78 0.00 3.13 3.34 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 0.00 0.00 0.00 80 D 8.33 4.36 0.00 2.93 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 81 A 7.99 3.99 1.26 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 82 H 7.31 3.58 0.00 2.92 3.13 0.00 5.96 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 P 0.00 4.34 0.00 2.14 2.13 0.00 3.17 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.08 0.00 84 S 7.49 4.74 0.00 3.80 3.70 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 85 D 8.61 4.71 0.00 2.71 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 86 S 7.92 4.76 0.00 3.95 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 87 V 7.65 4.93 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 0.98 0.00 0.00 1.01 0.00 0.00 88 K 9.58 4.64 0.00 1.95 1.72 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.57 7.81 89 L 8.87 5.17 0.00 2.07 1.87 1.27 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 90 V 8.94 4.63 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 0.75 0.00 0.00 0.89 0.00 0.00 91 T 8.66 4.96 4.85 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 1.85 0.00 0.00 92 V 8.97 4.51 0.92 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 0.81 0.00 0.00 0.33 0.00 0.00 93 N 8.92 3.65 0.00 1.85 2.24 0.00 0.00 6.81 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 94 L 8.04 4.53 0.00 1.62 1.55 0.89 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 95 V 7.52 3.70 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 0.84 0.00 0.00 0.89 0.00 0.00 96 N 8.08 4.50 0.00 2.74 2.91 0.00 0.00 6.83 7.57 0.00 0.00 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 S 8.05 4.76 0.00 4.09 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 0.00 98 E 7.85 4.86 0.00 2.08 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 2.40 2.38 0.00 99 Q 8.55 4.01 0.00 1.97 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.71 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 100 N 7.36 4.67 0.00 2.93 2.89 0.00 0.00 5.74 7.44 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 0.00 101 Q 8.52 3.87 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.94 0.00 0.00 0.00 0.00 0.00 2.53 2.40 0.00 102 Q 8.14 3.96 0.00 2.21 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.67 0.00 0.00 0.00 0.00 0.00 2.44 2.50 0.00 103 V 8.28 3.64 2.29 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 1.00 0.00 0.00 1.01 0.00 0.00 104 V 7.44 3.64 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 1.04 0.00 0.00 0.97 0.00 0.00 105 E 8.29 3.98 0.00 2.30 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 2.36 2.46 0.00 106 D 8.60 4.39 0.00 2.89 2.78 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 0.00 107 F 8.53 4.11 0.00 3.33 3.36 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.41 3.67 2.09 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.93 0.89 0.00 0.00 109 K 8.20 3.80 0.00 1.96 1.95 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.44 7.81 110 A 8.42 3.98 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 0.00 111 N 7.82 4.44 0.00 2.26 2.54 0.00 0.00 7.19 7.23 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 0.00 112 K 7.56 3.70 0.00 1.82 1.79 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.32 7.81 113 L 7.61 4.10 0.00 1.36 0.91 0.80 0.69 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 0.00 114 T 8.74 4.29 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 1.39 0.00 0.00 115 F 6.56 2.95 0.00 2.74 2.29 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 0.00 116 P 0.00 4.79 0.00 2.26 2.08 0.00 3.88 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.03 0.00 117 I 8.68 5.09 1.94 0.00 0.00 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 1.49 0.92 1.12 0.00 0.00 118 V 9.31 4.61 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 0.90 0.00 0.00 0.93 0.00 0.00 119 L 8.37 4.59 0.00 1.51 1.53 0.83 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 120 D 8.44 4.62 0.00 2.71 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 0.00 121 S 7.86 4.12 0.00 3.90 3.91 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 0.00 122 K 8.10 4.20 0.00 1.82 1.86 0.00 1.76 0.00 0.00 1.83 0.00 0.00 2.91 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.50 1.39 7.81 123 G 7.84 3.86 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 0.00 0.00 0.00 124 E 7.78 4.19 0.00 2.12 2.25 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 2.40 2.54 0.00 125 L 8.01 3.97 0.00 2.17 1.96 -0.15 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 *127 K 8.16 4.15 0.00 1.92 2.07 0.00 1.73 0.00 0.00 1.91 0.00 0.00 2.85 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.43 7.81 128 E 8.69 3.79 0.00 2.17 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 0.00 2.24 1.51 0.00 129 Y 7.91 4.12 0.00 2.89 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 H 7.34 3.99 0.00 3.24 3.34 0.00 5.85 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 I 7.49 3.98 1.59 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 -0.36 0.72 0.00 0.00 132 I 8.34 4.49 1.88 0.00 0.00 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 1.60 0.90 0.92 0.00 0.00 133 T 7.74 4.75 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 1.20 0.00 0.00 134 I 7.89 4.74 1.81 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.50 0.88 0.00 0.00 135 P 0.00 4.87 0.00 2.16 2.14 0.00 3.80 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.03 0.00 136 T 8.36 5.11 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 0.75 0.00 0.00 137 S 9.23 5.36 0.00 3.81 3.99 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 0.00 138 F 9.53 5.44 0.00 2.94 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 0.00 139 L 8.49 4.92 0.00 0.47 1.10 0.69 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 140 L 9.05 5.31 0.00 1.63 1.59 1.02 0.55 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 0.00 141 N 8.54 5.11 0.00 2.97 3.21 0.00 0.00 7.00 7.29 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 0.00 142 E 8.66 4.18 0.00 1.99 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 0.00 2.47 2.35 0.00 143 K 8.23 4.25 0.00 1.84 1.84 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.39 1.43 7.81 144 G 8.32 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 0.00 145 E 8.41 4.15 0.00 2.20 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 2.32 2.28 0.00 146 I 8.17 4.49 1.92 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.49 1.15 0.00 0.00 147 E 9.30 4.31 0.00 1.72 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 2.27 2.24 0.00 148 K 7.59 4.64 0.00 0.79 1.32 0.00 1.46 0.00 0.00 1.61 0.00 0.00 2.74 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.85 0.21 7.81 149 T 8.63 5.08 4.34 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 0.00 0.00 1.21 0.00 0.00 150 K 9.41 4.55 0.00 2.01 1.63 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.79 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.35 1.29 7.81 151 I 8.35 4.58 1.86 0.00 0.00 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 1.23 0.71 0.90 0.00 0.00 152 G 9.09 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 0.00 153 P 0.00 4.81 0.00 2.01 2.02 0.00 3.74 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 *155 T 8.06 3.92 4.10 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 1.10 0.00 0.00 156 A 8.14 3.69 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 E 7.86 3.85 0.00 2.01 1.84 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 2.32 2.39 0.00 158 Q 7.72 3.76 0.00 1.84 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.18 2.19 0.00 159 L 7.12 3.28 0.00 0.80 0.13 -0.66 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 160 K 7.80 4.24 0.00 2.03 1.96 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.53 7.81 161 E 8.19 4.43 0.00 2.12 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 0.00 2.51 2.38 0.00 162 W 8.02 4.51 0.00 3.36 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 0.00 163 T 7.92 4.28 4.53 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 0.00 0.00 0.00 1.28 0.00 0.00 164 E 8.25 4.20 0.00 2.22 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 2.36 2.46 0.00 * Residues marked with a * may have inaccurate shift predictions.