NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 E 4.2036 8.4449 121.4687 55.4676 30.7091 174.8590 22 P 4.4878 0.0000 0.0000 59.7676 32.8974 173.4723 23 P 4.4872 0.0000 0.0000 63.8306 32.7143 175.8509 24 T 4.4686 8.2144 113.8758 65.2231 72.5601 174.9076 25 A 4.2475 7.7119 122.0928 51.5953 19.2800 177.6653 26 C 4.6399 8.3166 117.9908 55.9958 41.6838 175.2685 27 R 4.0441 8.0397 117.7255 56.5675 29.4753 175.6544 28 E 4.1240 8.4511 117.9414 59.8391 30.2938 179.0387 29 K 3.9662 7.5481 114.7034 56.8308 32.6299 175.7557 30 Q 5.0343 7.8849 119.1016 54.4011 31.5923 174.6544 31 Y 4.8899 8.1132 118.8456 54.9279 41.2859 174.8108 32 L 4.1433 8.6593 124.5417 55.0349 43.1785 176.3124 33 I 4.1719 9.4630 126.2622 61.4811 40.3397 173.8475 34 N 4.0908 9.5743 120.4128 55.1807 34.9155 174.8428 35 S 4.0640 8.1687 116.0262 58.5073 62.2341 170.6950 36 Q 4.5653 8.0875 119.2409 54.0289 31.1627 173.9518 37 C 4.8673 8.3807 117.7472 55.8036 39.7979 174.3719 38 C 4.4959 7.8442 122.6210 55.8938 42.6035 172.5463 39 S 5.3311 8.0418 114.9133 57.0834 64.3619 175.0407 40 L 4.6610 9.6451 125.1355 54.9023 42.9035 175.7060 41 C 4.8496 9.2659 118.6989 55.9300 42.9496 173.9984 42 Q 2.5200 8.2495 121.0263 54.8264 29.5821 172.7027 43 P 4.4396 0.0000 0.0000 65.5641 31.0012 174.9278 44 G 4.0666 7.7559 120.0132 45.0044 0.0000 171.0428 45 Q 4.8254 7.5999 120.0097 53.6911 32.3908 174.6446 46 K 4.5334 8.4923 121.0135 54.7608 35.2900 175.5046 47 L 4.3806 8.2882 125.2087 55.8032 41.8536 176.6745 48 V 4.3895 8.8461 126.3702 63.3509 34.0484 175.7814 49 S 4.5446 7.7378 110.3966 57.3040 65.4592 175.9836 50 D 5.2936 9.4811 124.8335 54.2247 41.7064 174.6187 51 C 4.9289 8.5115 114.9259 54.9375 44.0628 171.8158 52 T 4.3877 8.1085 108.5288 61.1908 69.8981 173.1203 53 E 4.1191 8.9991 119.5428 57.6858 30.0622 177.6187 54 F 4.8866 8.7258 113.9727 56.9000 41.6219 174.4886 55 T 4.6254 7.7902 111.3020 59.2523 70.6161 173.4418 56 E 4.4903 8.7334 125.4387 56.1819 30.3982 176.8335 57 T 4.2138 8.5663 117.7528 64.4285 69.5094 173.0641 58 E 4.7639 9.1845 124.6405 54.8911 32.5477 174.2735 59 C 5.7775 8.4318 122.0333 54.8933 44.8424 172.8280 60 L 4.6275 8.0848 116.9148 53.1465 45.5632 173.9241 61 P 5.4181 0.0000 0.0000 62.5488 32.1250 176.7056 62 C 4.5094 8.6294 119.4773 56.6605 40.9998 173.8738 63 G 3.8037 8.2824 109.0918 45.1318 0.0000 174.1086 64 E 4.2146 8.6624 117.5741 58.5837 29.6087 177.7430 65 S 4.8347 7.9167 112.5010 58.1953 66.2120 173.3431 66 E 5.8091 7.8676 119.8132 55.3105 32.1815 174.7423 67 F 4.7644 7.9756 114.9092 57.8825 40.3181 173.2800 68 L 3.9588 7.6747 119.1156 53.2555 45.1173 176.3753 69 D 5.1037 8.0807 128.7118 52.1205 39.5868 176.4085 70 T 4.1210 7.0925 111.2795 62.1493 70.3804 172.6220 71 W 4.8516 9.6280 128.1730 57.1366 28.8496 174.7608 72 N 5.1082 8.2935 123.9326 50.8519 40.5505 175.5993 73 R 4.6804 7.8943 114.2624 55.7160 29.4354 174.9339 74 E 4.2515 8.1990 119.6363 56.8457 30.5481 176.7785 75 T 4.3848 8.2639 113.3981 62.4605 69.9324 174.5232 76 H 4.7922 7.7683 118.3099 53.8615 31.8666 174.0860 77 C 4.4335 8.5416 120.9459 56.9030 39.4974 172.2145 78 H 5.1429 8.1588 117.6143 54.7262 30.5813 174.6838 79 Q 4.9451 8.4631 118.6555 54.9820 30.3260 175.1513 80 H 4.4320 9.5140 120.4438 56.2529 29.1523 175.2518 81 K 3.9036 8.8562 124.4906 56.8782 32.7219 174.7107 82 Y 4.7177 8.4278 123.6823 56.2298 40.9231 177.4923 83 C 4.2924 7.8733 127.9267 54.6359 38.3438 172.8724 84 D 3.8798 7.3274 119.7284 53.5575 41.3507 175.0830 85 P 4.0592 0.0000 0.0000 65.7273 31.3985 178.1962 86 N 3.9036 8.2859 115.8262 55.9439 38.8243 175.7334 87 L 4.2618 8.1566 116.4289 54.9496 42.3139 177.2534 88 G 3.0663 8.6238 108.2447 45.9496 0.0000 173.0552 89 L 4.7811 7.1427 118.3045 52.6749 44.9577 175.7289 90 R 4.4708 8.0931 113.9030 54.8360 32.9576 174.7421 91 V 3.5944 8.2538 121.5089 63.7178 31.2133 175.1360 92 Q 4.1789 9.0355 131.3729 58.5632 30.0815 176.2134 93 Q 4.3640 7.7153 120.4342 54.6988 32.3277 174.6509 94 K 4.0612 8.8270 126.5130 56.7448 33.3393 175.2312 95 G 4.0329 8.1232 106.6940 45.0692 0.0000 173.5118 96 T 4.5212 8.3086 114.9494 60.3056 71.0917 175.4065 97 S 4.7220 8.5224 114.3078 58.9804 62.7604 175.0322 98 E 5.3061 8.5170 115.3984 57.1511 31.4247 174.7726 99 T 4.6068 7.7287 108.8672 60.7499 71.7408 173.2563 100 D 3.5215 8.0037 124.8970 53.6044 42.3185 175.5297 101 T 4.3678 7.9559 117.7742 62.8897 69.6466 174.1218 102 I 4.4486 8.7392 125.1439 59.8833 39.6665 174.5554 103 C 5.4438 8.5862 123.7991 55.9496 43.8949 172.6035 104 T 4.5895 7.9679 108.6056 60.8997 72.0442 172.3651 105 C 5.0689 8.5499 119.9454 56.3721 37.5034 173.1189 106 E 4.4735 8.2349 119.3046 55.0448 30.9353 176.3580 107 E 4.1210 8.1711 120.9799 58.5693 29.7569 177.4980 108 G 4.0656 9.3514 111.5589 44.4936 0.0000 172.1919 109 W 5.1804 8.8056 119.5136 55.1009 33.1752 173.9878 110 H 5.9167 8.9408 115.7906 53.9355 31.8322 172.3630 111 C 5.0658 8.8486 116.3559 57.1345 40.7957 173.9498 112 T 4.3472 8.3624 116.2808 62.7511 68.8428 174.7180 113 S 4.8020 7.6405 117.3738 57.8214 64.9199 177.3023 114 E 3.8824 9.2005 124.9443 59.7668 29.3950 178.5512 115 A 3.9727 8.1703 119.4317 54.5163 18.6248 178.0338 116 C 3.8908 8.1657 112.1806 57.7921 41.8379 173.6600 117 E 4.0560 8.1894 119.9619 58.3202 30.0562 177.4606 118 S 4.9341 7.8282 111.4473 56.5942 66.8367 173.8035 119 C 5.4287 8.7103 117.1747 55.3087 40.5734 173.7648 120 V 4.6367 9.1868 121.4376 60.5551 34.9074 174.4973 121 L 3.5625 8.0898 128.7400 55.4390 42.1868 175.8575 122 H 4.2004 8.6216 123.7282 55.8550 29.8331 175.3356 123 R 4.1817 8.2866 120.6079 55.2100 29.4980 176.4981 124 S 4.6229 8.1838 118.2289 57.2736 63.9379 170.7386 125 C 4.7871 7.8218 118.8898 55.8022 48.9293 174.5761 *132 K 4.2205 8.2310 121.2130 55.7246 35.0422 176.7259 133 Q 4.3417 7.6782 122.2117 54.7145 30.2518 175.9723 134 I 3.9134 8.4699 126.9255 61.6474 38.3900 174.5091 135 A 5.4953 8.5425 124.5015 50.2511 19.9843 177.2887 136 T 4.1463 9.0705 112.2364 61.1706 69.3536 175.2571 137 G 4.6275 7.2415 117.4309 45.4024 0.0000 175.5584 138 V 3.8625 7.6069 114.6086 61.6769 32.2203 175.7082 139 S 4.8422 7.6683 115.0067 56.4703 66.0728 170.6657 140 D 4.9908 8.2183 118.5469 52.9502 43.6144 173.6600 141 T 4.7625 9.3471 110.5740 60.1799 69.9192 174.2065 142 I 4.1050 8.0822 128.4159 60.1171 38.7494 173.7236 143 C 4.8827 8.7055 127.8201 55.8311 41.5339 173.7047 144 E 4.4493 8.5974 121.7801 53.6630 29.3718 174.1699 145 P 4.3956 0.0000 0.0000 62.9858 31.3327 176.6885 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 21 E 8.44 4.20 0.00 1.94 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 2.18 2.33 0.00 22 P 0.00 4.49 0.00 2.14 1.97 0.00 3.73 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.15 0.00 23 P 0.00 4.49 0.00 2.01 1.97 0.00 3.61 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.10 0.00 24 T 8.21 4.47 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 25 A 7.71 4.25 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 26 C 8.32 4.64 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 27 R 8.04 4.04 0.00 1.72 1.81 0.00 3.30 0.00 0.00 3.10 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 28 E 8.45 4.12 0.00 1.89 1.72 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 2.16 2.23 0.00 29 K 7.55 3.97 0.00 1.31 1.03 0.00 0.61 0.00 0.00 1.06 0.00 0.00 2.33 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.93 0.21 7.81 30 Q 7.88 5.03 0.00 1.88 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.59 0.00 0.00 0.00 0.00 0.00 2.35 2.20 0.00 31 Y 8.11 4.89 0.00 3.08 3.04 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 0.00 0.00 0.00 0.00 32 L 8.66 4.14 0.00 1.59 1.63 0.96 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 33 I 9.46 4.17 2.05 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.93 0.73 0.00 0.00 34 N 9.57 4.09 0.00 2.84 2.97 0.00 0.00 7.25 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 35 S 8.17 4.06 0.00 4.02 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 0.00 36 Q 8.09 4.57 0.00 2.10 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.75 0.00 0.00 0.00 0.00 0.00 2.22 2.39 0.00 37 C 8.38 4.87 0.00 2.72 2.90 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 0.00 0.00 0.00 38 C 7.84 4.50 0.00 1.79 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 39 S 8.04 5.33 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 40 L 9.65 4.66 0.00 1.82 2.06 1.11 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 41 C 9.27 4.85 0.00 2.82 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 42 Q 8.25 2.52 0.00 1.12 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.00 0.00 0.00 0.00 0.00 0.00 2.37 2.08 0.00 43 P 0.00 4.44 0.00 1.75 2.12 0.00 2.66 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.81 0.00 44 G 7.76 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 45 Q 7.60 4.83 0.00 1.91 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.61 0.00 0.00 0.00 0.00 0.00 2.20 2.13 0.00 46 K 8.49 4.53 0.00 1.88 1.81 0.00 1.41 0.00 0.00 1.49 0.00 0.00 2.75 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.30 7.81 47 L 8.29 4.38 0.00 1.59 1.64 0.94 0.71 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 48 V 8.85 4.39 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 0.84 0.00 0.00 0.97 0.00 0.00 49 S 7.74 4.54 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 50 D 9.48 5.29 0.00 2.65 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 51 C 8.51 4.93 0.00 3.20 3.23 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 52 T 8.11 4.39 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 1.26 0.00 0.00 53 E 9.00 4.12 0.00 1.86 2.05 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 1.47 1.83 0.00 54 F 8.73 4.89 0.00 2.87 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 55 T 7.79 4.63 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 56 E 8.73 4.49 0.00 1.89 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 2.43 0.00 57 T 8.57 4.21 4.36 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 1.43 0.00 0.00 58 E 9.18 4.76 0.00 2.07 1.77 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 2.19 2.30 0.00 59 C 8.43 5.78 0.00 2.80 3.04 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 0.00 0.00 0.00 0.00 60 L 8.08 4.63 0.00 1.52 1.48 0.90 0.98 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 61 P 0.00 5.42 0.00 1.91 1.97 0.00 3.71 0.00 0.00 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.94 0.00 62 C 8.63 4.51 0.00 2.85 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 63 G 8.28 3.80 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 0.00 0.00 0.00 64 E 8.66 4.21 0.00 1.99 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 0.00 2.33 2.34 0.00 65 S 7.92 4.83 0.00 3.75 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 66 E 7.87 5.81 0.00 1.92 1.96 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 2.26 2.07 0.00 67 F 7.98 4.76 0.00 3.19 3.09 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 68 L 7.67 3.96 0.00 1.40 1.37 0.84 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 69 D 8.08 5.10 0.00 2.91 3.14 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 70 T 7.09 4.12 4.30 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 1.19 0.00 0.00 71 W 9.63 4.85 0.00 3.23 3.28 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 72 N 8.29 5.11 0.00 2.69 2.97 0.00 0.00 5.65 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 73 R 7.89 4.68 0.00 1.18 1.41 0.00 2.67 0.00 0.00 3.02 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.42 0.00 74 E 8.20 4.25 0.00 2.01 1.81 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 2.49 2.24 0.00 75 T 8.26 4.38 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 1.16 0.00 0.00 76 H 7.77 4.79 0.00 3.04 3.18 0.00 5.89 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 77 C 8.54 4.43 0.00 3.13 3.12 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 0.00 0.00 0.00 78 H 8.16 5.14 0.00 2.35 3.11 0.00 5.60 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 Q 8.46 4.95 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.84 0.00 0.00 0.00 0.00 0.00 2.30 2.44 0.00 80 H 9.51 4.43 0.00 3.08 3.29 0.00 5.69 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 K 8.86 3.90 0.00 2.07 1.70 0.00 1.76 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.46 7.81 82 Y 8.43 4.72 0.00 2.86 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 83 C 7.87 4.29 0.00 2.71 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 84 D 7.33 3.88 0.00 2.89 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 85 P 0.00 4.06 0.00 2.13 2.14 0.00 3.65 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 2.03 1.93 0.00 86 N 8.29 3.90 0.00 2.90 2.96 0.00 0.00 7.03 7.39 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 87 L 8.16 4.26 0.00 1.80 1.68 0.94 0.91 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 88 G 8.62 3.07 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 89 L 7.14 4.78 0.00 1.40 1.44 0.80 0.88 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 90 R 8.09 4.47 0.00 1.74 1.81 0.00 2.84 0.00 0.00 3.18 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.48 0.00 91 V 8.25 3.59 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 0.68 0.00 0.00 0.83 0.00 0.00 92 Q 9.04 4.18 0.00 2.02 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.35 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 93 Q 7.72 4.36 0.00 2.08 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.54 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 94 K 8.83 4.06 0.00 1.68 1.69 0.00 1.62 0.00 0.00 1.78 0.00 0.00 2.82 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.47 1.42 7.81 95 G 8.12 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 0.00 0.00 0.00 0.00 96 T 8.31 4.52 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 1.19 0.00 0.00 97 S 8.52 4.72 0.00 4.04 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 98 E 8.52 5.31 0.00 1.98 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 0.00 2.21 2.11 0.00 99 T 7.73 4.61 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 1.21 0.00 0.00 100 D 8.00 3.52 0.00 1.87 2.32 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 0.00 101 T 7.96 4.37 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 1.15 0.00 0.00 102 I 8.74 4.45 1.81 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 1.17 1.14 0.87 0.00 0.00 103 C 8.59 5.44 0.00 2.77 2.90 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 0.00 0.00 0.00 104 T 7.97 4.59 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 0.00 105 C 8.55 5.07 0.00 2.93 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 0.00 106 E 8.23 4.47 0.00 1.16 1.57 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 0.00 1.99 1.77 0.00 107 E 8.17 4.12 0.00 2.08 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 2.35 2.35 0.00 108 G 9.35 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 0.00 109 W 8.81 5.18 0.00 3.23 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 0.00 110 H 8.94 5.92 0.00 3.42 3.54 0.00 5.73 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 C 8.85 5.07 0.00 2.93 3.23 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 0.00 112 T 8.36 4.35 4.28 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 1.25 0.00 0.00 113 S 7.64 4.80 0.00 3.87 3.71 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 0.00 114 E 9.20 3.88 0.00 2.00 2.05 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 2.34 2.36 0.00 115 A 8.17 3.97 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 0.00 116 C 8.17 3.89 0.00 3.24 3.19 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 0.00 117 E 8.19 4.06 0.00 2.02 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 2.33 2.31 0.00 118 S 7.83 4.93 0.00 3.89 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 0.00 119 C 8.71 5.43 0.00 3.17 3.23 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 0.00 120 V 9.19 4.64 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 0.85 0.00 0.00 0.99 0.00 0.00 121 L 8.09 3.56 0.00 0.65 1.12 0.16 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 122 H 8.62 4.20 0.00 3.01 3.20 0.00 5.71 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 0.00 123 R 8.29 4.18 0.00 1.87 1.89 0.00 3.24 0.00 0.00 3.13 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 124 S 8.18 4.62 0.00 3.80 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 0.00 125 C 7.82 4.79 0.00 3.06 2.90 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 0.00 0.00 0.00 *132 K 8.23 4.22 0.00 1.78 2.16 0.00 1.44 0.00 0.00 1.62 0.00 0.00 2.75 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.50 1.50 7.81 133 Q 7.68 4.34 0.00 2.21 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.82 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 134 I 8.47 3.91 1.86 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 1.27 0.64 0.89 0.00 0.00 135 A 8.54 5.50 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 0.00 0.00 0.00 0.00 0.00 0.00 136 T 9.07 4.15 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 0.00 137 G 7.24 4.63 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 0.00 0.00 0.00 138 V 7.61 3.86 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 0.78 0.00 0.00 0.95 0.00 0.00 139 S 7.67 4.84 0.00 3.90 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 0.00 140 D 8.22 4.99 0.00 2.52 2.47 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 0.00 141 T 9.35 4.76 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 1.15 0.00 0.00 142 I 8.08 4.11 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.21 0.96 0.00 0.00 143 C 8.71 4.88 0.00 2.88 2.98 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 0.00 0.00 0.00 144 E 8.60 4.45 0.00 2.04 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 0.00 2.17 2.28 0.00 145 P 0.00 4.40 0.00 2.05 2.01 0.00 3.70 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 * Residues marked with a * may have inaccurate shift predictions.