NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.4006 0.0000 0.0000 62.4057 32.8176 174.9411 2 Q 4.3862 8.4416 119.9752 53.8163 31.2664 172.8542 3 I 4.4304 8.1464 126.0220 59.5842 40.2387 175.3052 4 T 4.2756 8.3886 115.8241 61.1926 69.9593 174.1273 5 L 4.7156 7.6413 117.7840 54.2365 42.5037 177.9806 6 W 4.4770 8.2478 121.6759 58.8430 29.0638 175.8456 7 K 4.7743 7.7193 114.5118 54.0497 35.1892 175.6440 8 R 3.9642 8.4911 118.1392 56.4439 30.7381 176.3414 9 P 4.6648 0.0000 0.0000 61.9527 29.8171 174.1647 10 L 4.8992 7.6764 123.5447 55.0321 43.1689 177.1244 11 V 4.6248 8.8744 116.1206 59.6669 36.7228 174.6032 12 T 4.8291 8.4860 119.0841 63.4062 69.0844 174.4060 13 I 4.8261 8.9889 119.5067 59.1136 41.7766 174.1769 14 R 5.5602 8.8158 122.2260 53.5505 33.1167 173.8361 15 I 4.6609 7.9594 125.6828 59.6785 41.6384 175.0636 16 G 4.2069 9.8910 117.8013 46.6286 0.0000 174.5279 17 G 3.9718 8.5321 107.4894 44.8092 0.0000 173.7516 18 N 5.0419 7.6705 116.9039 51.3405 41.3672 173.9840 19 L 4.9127 8.3972 122.6026 54.3719 42.9133 176.2066 20 K 4.7518 9.1132 121.8747 54.8756 37.2357 174.6557 21 E 5.1964 8.6852 120.3254 55.0681 31.2273 175.6128 22 A 4.8356 8.8868 124.4710 50.3362 23.5963 174.5558 23 L 4.7343 8.9730 122.8408 54.1246 43.7358 175.8456 24 L 4.4999 8.6206 127.2185 54.5783 42.3334 176.3692 25 D 4.8508 9.0353 125.5978 52.3594 42.7003 176.5009 26 T 4.0221 8.7464 116.7444 63.6150 69.1977 175.5532 27 G 3.8340 8.7240 110.6420 45.3765 0.0000 172.7774 28 A 4.6514 7.6961 122.8125 49.9552 20.7423 177.9916 29 D 4.3730 8.9414 122.9331 56.7381 42.1903 175.9330 30 D 5.3490 8.0048 116.0334 52.6914 45.7370 174.8052 31 T 4.7445 7.9236 116.9126 62.1456 70.7035 174.2357 32 V 4.8533 8.8150 126.1728 61.2019 34.6761 174.1582 33 I 4.8505 8.9661 128.7548 59.5699 40.8484 174.8054 34 E 4.8734 10.0079 129.2583 54.9232 28.7022 174.7716 35 E 4.5314 8.2114 127.6298 54.5417 33.4637 175.6676 *37 N 4.9146 8.3590 117.1194 51.9828 39.2744 176.1257 38 L 4.1669 7.1810 119.4528 54.2168 42.5214 176.2264 39 P 4.6833 0.0000 0.0000 62.7991 33.2409 177.1780 40 G 4.1258 8.3819 104.1186 43.9173 0.0000 175.5851 *42 W 4.7586 8.3877 122.4145 55.8163 29.2090 173.5845 43 K 4.7573 8.7084 118.6719 54.1235 35.6360 173.9768 44 P 5.0629 0.0000 0.0000 63.3002 32.0258 175.8499 45 K 4.2999 8.7592 124.7189 55.6346 36.5039 174.8884 *47 I 4.2360 8.4698 110.7664 60.6791 38.6604 174.7623 48 G 3.3881 7.4589 109.3012 43.4580 0.0000 173.0491 49 G 3.8581 7.7292 108.5756 45.4825 0.0000 173.6158 50 I 4.0341 8.6636 125.4355 61.6151 37.5374 175.9851 51 G 3.9674 8.4591 111.9807 44.7620 0.0000 172.4165 52 G 3.9687 7.7083 105.2613 44.2211 0.0000 173.0805 53 F 5.1236 8.8043 119.4654 55.8194 41.2732 174.7411 54 I 4.8404 8.2866 115.9908 58.9714 40.6704 175.0276 55 K 4.5806 8.6303 122.7835 56.5136 32.9763 176.6764 56 V 4.6604 8.8642 116.5834 59.8306 36.9016 174.2711 57 R 4.7927 8.7286 121.5566 54.9008 31.9770 175.4066 58 Q 4.7664 9.2914 126.4158 55.1287 30.6336 173.6065 59 Y 5.0738 9.1436 124.9586 56.4460 40.4481 174.9080 60 D 5.1058 8.9180 123.2869 52.7262 43.6104 175.7498 61 Q 3.4291 8.3871 116.4727 57.1819 26.5282 174.1320 62 I 4.3948 7.9082 118.3932 59.3067 39.1721 175.0059 63 P 4.8841 0.0000 0.0000 62.6745 32.2834 176.1812 64 V 4.4777 8.9508 123.7575 61.3781 34.7631 173.3148 65 E 4.9725 9.0502 129.8272 54.3412 31.5732 176.3267 66 I 4.6023 8.8221 128.3251 61.3079 38.0635 177.3070 *68 G 3.8464 8.1489 108.0971 45.1447 0.0000 172.9337 69 H 4.7258 8.3416 118.9717 54.0074 29.9267 174.3348 70 K 4.6558 8.5158 124.0746 56.0864 33.0419 176.0004 71 A 4.9207 8.7510 124.4835 50.7062 23.5217 174.7817 72 I 4.6678 8.7059 119.1529 60.2679 41.1865 174.8085 73 G 4.0347 8.2235 117.0899 46.4597 0.0000 171.2189 74 T 4.7828 8.6334 118.0734 63.1977 69.6362 174.6773 75 V 4.4786 8.9781 125.8389 61.0614 34.9311 173.8940 76 L 5.1679 8.9942 127.9748 53.1830 44.0414 175.3849 77 V 5.2764 7.9028 124.0199 60.6288 33.8519 174.8531 78 G 4.1860 8.0708 113.4409 45.1801 0.0000 170.8393 79 P 4.6401 0.0000 0.0000 62.6273 30.8465 175.6344 80 T 4.6751 8.0143 116.4151 59.2205 70.3312 172.3189 81 P 4.4564 0.0000 0.0000 64.6571 31.8940 176.8811 82 V 4.4661 7.2956 118.0961 59.5318 34.4736 174.6952 83 N 4.8239 8.7254 121.0410 53.3350 39.9056 173.7973 84 I 4.9282 8.8674 116.2995 59.1874 41.0791 174.3236 85 I 4.3654 8.9976 127.7180 60.3268 38.4934 175.7105 86 G 4.6453 8.3950 115.9096 43.8560 0.0000 173.9673 87 R 4.0950 8.8997 118.4140 58.7720 30.2119 179.2171 88 N 4.3782 7.6576 114.7024 55.1861 37.6885 176.4045 89 L 4.4285 7.7781 117.6585 56.1682 42.5313 178.4997 90 L 4.0280 8.0921 119.4533 58.0385 41.6410 179.6452 91 T 3.8919 7.9927 109.7136 64.8994 68.3991 176.6238 92 Q 4.1222 7.8856 119.9489 57.7026 28.7365 177.4564 93 I 4.5391 7.2764 112.2386 59.0575 38.1441 172.1175 94 G 3.5714 7.5584 116.7854 45.4135 0.0000 173.5665 *96 T 4.1182 8.0189 114.7372 60.8592 69.9188 173.4682 97 L 4.5921 8.1858 121.9875 53.8781 43.0121 176.2735 98 N 5.0650 8.4136 118.9657 51.7846 42.6001 174.5152 99 F 4.4600 8.2773 116.2113 57.4951 37.4165 173.8127 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 P 0.00 4.40 0.00 2.06 2.08 0.00 3.58 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.10 0.00 2 Q 8.44 4.39 0.00 2.05 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.68 0.00 0.00 0.00 0.00 0.00 2.23 2.45 0.00 3 I 8.15 4.43 1.87 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 1.48 0.80 0.92 0.00 0.00 4 T 8.39 4.28 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 1.28 0.00 0.00 5 L 7.64 4.72 0.00 1.37 1.53 0.81 0.84 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 6 W 8.25 4.48 0.00 3.27 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 7 K 7.72 4.77 0.00 1.85 1.84 0.00 1.62 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.46 7.81 8 R 8.49 3.96 0.00 1.83 1.93 0.00 3.20 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 9 P 0.00 4.66 0.00 2.11 2.20 0.00 3.67 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.97 0.00 10 L 7.68 4.90 0.00 1.56 1.64 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.87 4.62 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 0.74 0.00 0.00 0.93 0.00 0.00 12 T 8.49 4.83 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 1.26 0.00 0.00 13 I 8.99 4.83 1.92 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 1.24 0.95 0.91 0.00 0.00 14 R 8.82 5.56 0.00 1.85 1.77 0.00 3.07 0.00 0.00 3.18 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.39 0.00 15 I 7.96 4.66 1.84 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 1.20 1.26 0.91 0.00 0.00 16 G 9.89 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 0.00 0.00 0.00 0.00 17 G 8.53 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 0.00 0.00 0.00 18 N 7.67 5.04 0.00 2.82 2.69 0.00 0.00 6.86 6.44 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 19 L 8.40 4.91 0.00 1.50 1.59 0.96 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 20 K 9.11 4.75 0.00 1.61 1.62 0.00 1.61 0.00 0.00 1.62 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.37 7.81 21 E 8.69 5.20 0.00 1.83 1.85 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 2.23 2.23 0.00 22 A 8.89 4.84 1.17 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 0.00 0.00 23 L 8.97 4.73 0.00 1.72 1.67 0.93 0.73 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 24 L 8.62 4.50 0.00 1.57 1.61 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 25 D 9.04 4.85 0.00 2.73 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 26 T 8.75 4.02 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 27 G 8.72 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 0.00 0.00 0.00 28 A 7.70 4.65 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 29 D 8.94 4.37 0.00 2.62 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 30 D 8.00 5.35 0.00 2.55 2.53 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 0.00 31 T 7.92 4.74 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 1.28 0.00 0.00 32 V 8.81 4.85 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 1.03 0.00 0.00 0.92 0.00 0.00 33 I 8.97 4.85 1.82 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 1.09 1.12 0.94 0.00 0.00 34 E 10.01 4.87 0.00 1.98 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 2.25 2.21 0.00 35 E 8.21 4.53 0.00 1.89 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 2.13 2.19 0.00 *37 N 8.36 4.91 0.00 2.81 2.71 0.00 0.00 6.75 7.79 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 38 L 7.18 4.17 0.00 1.28 1.41 0.14 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 39 P 0.00 4.68 0.00 2.24 2.11 0.00 3.71 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 40 G 8.38 4.13 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 0.00 0.00 0.00 *42 W 8.39 4.76 0.00 2.94 1.74 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 43 K 8.71 4.76 0.00 1.79 1.82 0.00 1.31 0.00 0.00 1.69 0.00 0.00 3.12 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.40 7.81 44 P 0.00 5.06 0.00 2.20 2.32 0.00 3.74 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.02 0.00 45 K 8.76 4.30 0.00 1.89 1.60 0.00 1.93 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.44 7.81 *47 I 8.47 4.24 1.84 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 1.37 0.57 1.01 0.00 0.00 48 G 7.46 3.39 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 G 7.73 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 50 I 8.66 4.03 1.83 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 1.31 0.82 0.89 0.00 0.00 51 G 8.46 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 0.00 0.00 0.00 52 G 7.71 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 0.00 0.00 0.00 53 F 8.80 5.12 0.00 2.97 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 54 I 8.29 4.84 1.89 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 1.22 0.68 0.92 0.00 0.00 55 K 8.63 4.58 0.00 1.68 1.80 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.51 7.81 56 V 8.86 4.66 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 0.79 0.00 0.00 1.01 0.00 0.00 57 R 8.73 4.79 0.00 1.43 0.90 0.00 2.21 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.98 0.00 58 Q 9.29 4.77 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.77 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 59 Y 9.14 5.07 0.00 3.11 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 60 D 8.92 5.11 0.00 2.60 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 61 Q 8.39 3.43 0.00 2.21 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.77 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 62 I 7.91 4.39 1.89 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.09 0.88 0.00 0.00 63 P 0.00 4.88 0.00 1.93 1.99 0.00 3.62 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 64 V 8.95 4.48 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 0.93 0.00 0.00 0.98 0.00 0.00 65 E 9.05 4.97 0.00 2.10 1.79 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 2.17 2.28 0.00 66 I 8.82 4.60 1.88 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 1.23 0.71 0.91 0.00 0.00 *68 G 8.15 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 69 H 8.34 4.73 0.00 3.33 3.25 0.00 5.61 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.52 4.66 0.00 1.65 1.74 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.44 7.81 71 A 8.75 4.92 1.25 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 0.00 0.00 0.00 72 I 8.71 4.67 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.76 0.92 0.00 0.00 73 G 8.22 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 74 T 8.63 4.78 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 1.33 0.00 0.00 75 V 8.98 4.48 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 1.04 0.00 0.00 0.94 0.00 0.00 76 L 8.99 5.17 0.00 1.70 1.58 0.98 0.65 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 77 V 7.90 5.28 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 1.00 0.00 0.00 0.85 0.00 0.00 78 G 8.07 4.19 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 0.00 0.00 0.00 79 P 0.00 4.64 0.00 2.18 2.09 0.00 3.69 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 80 T 8.01 4.68 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 1.26 0.00 0.00 81 P 0.00 4.46 0.00 2.21 2.15 0.00 3.75 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 82 V 7.30 4.47 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 0.72 0.00 0.00 0.92 0.00 0.00 83 N 8.73 4.82 0.00 2.85 2.76 0.00 0.00 6.64 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 84 I 8.87 4.93 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 1.39 0.70 0.93 0.00 0.00 85 I 9.00 4.37 1.86 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 1.15 0.90 0.91 0.00 0.00 86 G 8.40 4.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.90 4.09 0.00 1.87 2.00 0.00 3.14 0.00 0.00 3.36 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 88 N 7.66 4.38 0.00 2.97 2.97 0.00 0.00 6.91 7.67 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 89 L 7.78 4.43 0.00 1.70 1.74 0.93 0.68 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 90 L 8.09 4.03 0.00 1.68 1.72 0.95 0.47 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 91 T 7.99 3.89 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 1.24 0.00 0.00 92 Q 7.89 4.12 0.00 2.25 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 7.01 0.00 0.00 0.00 0.00 0.00 2.40 2.53 0.00 93 I 7.28 4.54 1.82 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.55 0.93 0.00 0.00 94 G 7.56 3.57 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 0.00 0.00 0.00 0.00 0.00 0.00 *96 T 8.02 4.12 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 97 L 8.19 4.59 0.00 1.73 1.76 0.95 0.95 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 98 N 8.41 5.06 0.00 2.66 2.65 0.00 0.00 6.81 7.45 0.00 0.00 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 F 8.28 4.46 0.00 3.07 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 * Residues marked with a * may have inaccurate shift predictions.