NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.3856 8.3033 120.2254 56.1725 31.0070 176.9065 3 F 4.5120 8.2245 117.8329 57.9499 38.6988 175.0798 4 K 4.1200 8.0897 120.2341 58.9283 32.9698 177.5795 5 K 3.7693 8.1347 119.3581 59.5889 31.9174 178.2868 6 V 3.7628 7.8629 117.6039 65.1672 31.6797 177.8172 7 A 3.9699 7.6946 120.2065 54.9731 18.2331 179.8072 8 K 3.9099 8.3366 117.1467 59.8629 32.3827 179.5751 9 E 4.0318 8.0016 118.2317 59.5351 29.2452 179.7275 10 T 3.9270 7.9070 115.6681 66.2584 68.6320 176.7855 11 A 3.9836 8.1002 122.7153 55.2487 18.4585 179.5899 12 I 3.6629 7.8016 118.2329 65.0824 37.2162 178.8284 13 T 3.9270 7.8150 115.9757 66.3887 68.2126 176.6136 14 L 4.0033 8.3387 122.8219 58.0081 42.2315 178.4315 15 Q 3.9655 8.5461 120.0068 59.6173 28.9828 178.7018 16 S 4.1543 8.2013 113.8352 61.4686 62.4112 175.4828 17 Y 4.0478 8.2363 122.3975 60.6691 38.5128 177.7671 18 L 4.0746 8.7669 120.3018 57.9616 41.6711 179.7079 19 T 3.8563 7.8377 115.4043 66.7318 68.3401 175.9400 20 Y 3.9972 7.9767 121.3948 60.8651 38.6452 178.3000 21 Q 3.6190 8.0003 118.6025 58.5434 28.6633 178.3213 22 A 3.9271 8.0718 122.0630 55.5585 18.4614 180.0317 23 V 3.5358 7.7706 116.2671 65.7815 31.6415 178.4743 24 R 3.6991 7.8910 118.4238 59.0520 29.8719 178.8711 25 L 3.8964 7.9286 118.7145 57.9045 41.6442 179.3607 26 I 3.6487 7.8851 119.8802 64.8392 37.0016 178.4596 27 S 4.1184 8.1722 113.4337 61.2970 60.5286 176.2879 28 Q 3.9872 7.8966 120.7393 58.8665 28.4336 178.5375 29 Q 4.0394 8.0087 119.0117 59.1099 28.8624 178.9906 30 L 4.1651 8.1349 119.5461 57.4332 41.2906 179.7770 31 S 4.1228 7.5227 115.0587 61.3135 62.8258 175.2551 32 E 4.3140 7.3549 118.5411 58.9158 30.0186 178.0681 33 T 4.0506 8.4682 114.6723 66.6434 69.0525 174.9279 34 N 4.8440 7.9000 116.4983 50.9124 41.2678 172.4660 35 P 4.4878 0.0000 0.0000 65.3247 31.7251 178.0797 36 G 3.7285 8.1417 103.5608 47.2208 0.0000 175.1886 37 Q 4.2407 8.3116 119.7924 57.7714 29.1145 177.8779 38 A 4.0547 7.9916 121.5992 55.2629 18.4862 179.4255 39 I 3.6812 7.8379 118.1507 64.3410 37.2621 178.3263 40 W 4.1374 7.9887 129.0798 60.6041 30.3960 177.5675 41 L 4.1160 8.8406 120.7344 58.1656 41.5609 179.2792 42 G 3.6062 8.1691 105.6196 47.9422 0.0000 175.6683 43 E 3.9756 8.1406 121.3807 58.9108 29.3035 179.2338 44 F 3.7862 7.7965 120.7420 61.0697 39.0562 177.3117 45 S 4.6606 7.8339 113.9239 60.9151 62.7184 176.4836 46 K 4.1133 7.5652 120.4979 59.5085 31.9939 179.1065 47 R 4.2097 7.4687 114.7813 56.7418 30.0992 176.5204 48 H 4.4841 7.2915 116.7429 53.2908 32.0707 171.4247 49 P 4.2852 0.0000 0.0000 62.3882 30.9119 177.0445 50 I 3.0825 8.1430 124.4125 62.7602 38.1447 176.7716 51 Q 4.0060 8.0688 118.3904 59.0293 28.7998 176.5928 52 E 4.4251 8.0136 121.9090 54.9662 28.5671 175.9860 53 S 4.3508 8.2878 120.2535 60.8249 63.8014 175.8953 54 D 4.4672 8.1538 121.9967 57.1854 40.5794 178.7066 55 L 4.3116 7.9004 120.3661 57.2390 41.5380 178.2856 56 Y 4.2524 8.0280 118.5062 61.1740 38.8088 178.1112 57 L 4.1106 8.0966 118.3617 57.8528 41.5160 179.2166 58 E 4.2454 8.3619 118.3380 58.5184 30.3523 177.0126 59 A 4.5288 8.1096 121.9437 52.5377 15.3653 176.6878 *62 L 4.3614 7.8288 121.6835 53.7077 44.1195 177.8653 63 E 4.6651 7.9159 114.4665 56.3252 32.2763 175.9346 64 N 4.5968 7.3934 113.9755 51.3315 40.4514 174.3057 65 K 3.9379 8.0410 122.8087 58.7185 32.5228 177.8733 66 E 3.8366 8.0028 119.1483 59.3116 29.6110 178.5894 67 L 3.9219 8.0868 120.2657 57.9014 42.1240 178.9258 68 V 3.5608 7.5757 117.9063 66.1020 31.4292 178.0011 69 L 4.0101 8.0456 118.6541 57.9082 41.4407 179.8261 70 R 3.9259 7.8694 117.5564 59.1619 29.9992 179.0824 71 I 3.7170 7.8748 119.6338 64.2845 37.1654 178.1951 72 L 3.9692 7.9296 119.6993 58.2910 41.5119 179.7767 73 T 3.8060 8.0014 115.2123 66.6858 68.3817 176.7895 74 V 3.5889 8.2451 120.6282 66.1685 31.4870 178.3038 75 R 3.9207 8.5356 116.1336 59.1117 29.2103 178.4045 76 E 3.9046 8.1676 119.9932 59.1746 29.6429 178.6425 77 N 4.3104 8.1810 116.5459 56.0665 38.5815 176.9543 78 L 3.8794 8.2210 121.8379 58.3607 42.1744 178.3940 79 A 4.0031 8.1261 120.4148 55.7658 18.0469 179.2462 80 E 4.0124 8.2921 115.7317 59.4615 29.6567 179.9844 81 G 3.6540 8.1843 104.9690 47.9150 0.0000 175.7290 82 V 3.8643 8.4069 121.8699 65.2505 31.4965 177.9990 83 L 4.0132 8.2958 119.0108 57.7024 41.1348 179.3636 84 E 3.8380 7.6384 117.2307 58.6045 29.5858 177.5140 85 F 4.8673 7.1513 114.9064 57.9464 39.7394 177.1055 86 L 4.1478 7.5949 121.2702 57.5106 41.4684 176.4162 87 P 4.2268 0.0000 0.0000 66.1409 31.5531 178.5334 88 E 3.7199 8.1550 111.4758 57.4863 29.6125 178.7963 *90 V 3.9648 7.8754 120.8949 63.4635 33.4342 177.2350 91 L 3.9492 7.9911 120.9931 58.1245 41.8616 178.8408 92 S 4.0798 7.8309 113.1771 61.6729 62.3760 176.2760 93 Q 4.0677 8.0350 120.0226 58.7417 28.4070 178.6791 94 I 3.7985 7.7668 121.1836 64.1908 37.1907 178.5011 95 K 3.9757 8.4339 119.8408 59.3920 31.8862 179.0391 96 Q 4.0354 8.2115 119.5737 58.3584 28.9738 178.0043 97 S 4.0101 8.1826 114.5514 61.3178 62.4383 175.4462 98 N 4.4086 8.3183 119.4827 56.5001 38.3683 177.2885 99 G 3.7265 8.1704 106.7069 48.0507 0.0000 175.2751 100 N 4.3178 8.1010 119.1597 56.3936 38.6047 177.3614 101 H 4.2657 8.2972 117.5333 58.9236 28.6464 178.1895 102 R 4.0028 8.4814 120.3975 59.0682 29.6554 179.0709 103 R 3.9332 8.1830 118.8044 59.2108 29.9233 178.5220 104 S 4.3011 8.3486 113.5467 61.0465 62.3866 175.8858 105 L 4.1173 8.0623 122.3748 58.2044 40.6167 178.8027 106 L 4.0099 7.7652 121.3166 57.9607 41.7020 178.7997 107 E 4.0141 7.7334 118.0959 59.3475 29.4325 179.1216 108 R 4.1215 7.5148 117.4612 59.0721 30.3064 178.7707 109 L 4.1919 8.3379 118.4650 56.4152 42.1700 177.6255 110 T 4.6146 7.1819 109.2175 65.2874 69.0165 174.3091 111 Q 4.0096 7.3408 124.0724 56.5092 28.9155 177.0490 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 2 E 8.30 4.39 0.00 2.12 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 2.33 2.36 0.00 3 F 8.22 4.51 0.00 3.08 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 4 K 8.09 4.12 0.00 1.91 1.81 0.00 1.68 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.57 7.81 5 K 8.13 3.77 0.00 1.88 2.00 0.00 1.83 0.00 0.00 1.85 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.68 1.54 7.81 6 V 7.86 3.76 2.30 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 0.86 0.00 0.00 0.95 0.00 0.00 7 A 7.69 3.97 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.34 3.91 0.00 1.92 1.88 0.00 1.69 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.49 7.81 9 E 8.00 4.03 0.00 2.04 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 0.00 2.33 2.46 0.00 10 T 7.91 3.93 4.38 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 1.17 0.00 0.00 11 A 8.10 3.98 1.39 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 12 I 7.80 3.66 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 1.54 1.06 0.93 0.00 0.00 13 T 7.82 3.93 4.38 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 1.19 0.00 0.00 14 L 8.34 4.00 0.00 1.94 1.79 0.94 0.60 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 15 Q 8.55 3.97 0.00 2.13 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 16 S 8.20 4.15 0.00 3.98 3.89 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 17 Y 8.24 4.05 0.00 3.25 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 18 L 8.77 4.07 0.00 1.93 1.74 0.96 0.80 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 19 T 7.84 3.86 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 1.27 0.00 0.00 20 Y 7.98 4.00 0.00 2.89 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 21 Q 8.00 3.62 0.00 2.18 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.52 0.00 0.00 0.00 0.00 0.00 1.98 2.46 0.00 22 A 8.07 3.93 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.77 3.54 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 1.10 0.00 0.00 1.12 0.00 0.00 24 R 7.89 3.70 0.00 1.68 1.72 0.00 3.19 0.00 0.00 3.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.69 0.00 25 L 7.93 3.90 0.00 1.78 1.68 0.90 1.10 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 26 I 7.89 3.65 1.87 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 1.40 0.69 0.92 0.00 0.00 27 S 8.17 4.12 0.00 4.03 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 28 Q 7.90 3.99 0.00 2.34 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 29 Q 8.01 4.04 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 30 L 8.13 4.17 0.00 1.86 1.89 0.96 0.75 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 31 S 7.52 4.12 0.00 3.94 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 32 E 7.35 4.31 0.00 1.99 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 2.30 2.41 0.00 33 T 8.47 4.05 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 1.20 0.00 0.00 34 N 7.90 4.84 0.00 2.68 2.62 0.00 0.00 7.17 7.74 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 35 P 0.00 4.49 0.00 2.21 2.11 0.00 3.65 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 2.12 2.37 0.00 36 G 8.14 3.73 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 0.00 0.00 0.00 37 Q 8.31 4.24 0.00 2.41 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.18 2.26 0.00 38 A 7.99 4.05 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 39 I 7.84 3.68 1.96 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.75 0.97 0.00 0.00 40 W 7.99 4.14 0.00 3.48 3.38 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 41 L 8.84 4.12 0.00 2.15 2.00 1.08 1.04 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 42 G 8.17 3.61 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 0.00 0.00 0.00 43 E 8.14 3.98 0.00 1.95 1.91 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 2.49 2.44 0.00 44 F 7.80 3.79 0.00 1.85 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.83 4.66 0.00 4.09 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 46 K 7.57 4.11 0.00 1.90 1.82 0.00 1.81 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.65 7.81 47 R 7.47 4.21 0.00 1.54 1.68 0.00 3.04 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.71 0.00 48 H 7.29 4.48 0.00 2.86 3.22 0.00 5.66 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 4.29 0.00 2.19 2.19 0.00 3.72 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 2.08 1.93 0.00 50 I 8.14 3.08 1.15 0.00 0.00 0.64 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 0.27 0.85 0.00 0.00 51 Q 8.07 4.01 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.96 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 52 E 8.01 4.43 0.00 2.07 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 2.26 2.31 0.00 53 S 8.29 4.35 0.00 4.15 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 0.00 54 D 8.15 4.47 0.00 2.76 2.81 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 55 L 7.90 4.31 0.00 2.01 1.81 0.96 0.97 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 56 Y 8.03 4.25 0.00 3.12 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 L 8.10 4.11 0.00 1.76 1.77 1.01 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.36 4.25 0.00 2.33 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 2.36 2.40 0.00 59 A 8.11 4.53 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 *62 L 7.83 4.36 0.00 1.86 1.84 0.97 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 63 E 7.92 4.67 0.00 2.19 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 2.35 2.46 0.00 64 N 7.39 4.60 0.00 1.88 2.29 0.00 0.00 7.24 5.97 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 65 K 8.04 3.94 0.00 1.77 1.80 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.49 1.45 7.81 66 E 8.00 3.84 0.00 1.94 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 0.00 2.30 2.31 0.00 67 L 8.09 3.92 0.00 1.83 1.55 0.92 0.80 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 68 V 7.58 3.56 2.18 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 0.96 0.00 0.00 0.92 0.00 0.00 69 L 8.05 4.01 0.00 1.86 1.68 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 70 R 7.87 3.93 0.00 1.98 1.96 0.00 3.10 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.76 0.00 71 I 7.87 3.72 2.06 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 1.58 0.70 0.98 0.00 0.00 72 L 7.93 3.97 0.00 1.91 1.74 0.93 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 73 T 8.00 3.81 4.38 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 1.21 0.00 0.00 74 V 8.25 3.59 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 1.13 0.00 0.00 0.98 0.00 0.00 75 R 8.54 3.92 0.00 2.04 2.27 0.00 2.86 0.00 0.00 3.13 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.65 0.00 76 E 8.17 3.90 0.00 2.32 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 0.00 2.46 2.35 0.00 77 N 8.18 4.31 0.00 2.96 2.85 0.00 0.00 6.67 6.90 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 78 L 8.22 3.88 0.00 1.99 1.80 0.94 1.18 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 79 A 8.13 4.00 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 80 E 8.29 4.01 0.00 2.17 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 2.33 2.32 0.00 81 G 8.18 3.65 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 82 V 8.41 3.86 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 1.10 0.00 0.00 1.04 0.00 0.00 83 L 8.30 4.01 0.00 1.66 1.66 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 84 E 7.64 3.84 0.00 1.16 1.65 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 2.16 2.14 0.00 85 F 7.15 4.87 0.00 3.14 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 86 L 7.59 4.15 0.00 1.79 1.73 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 87 P 0.00 4.23 0.00 2.19 2.08 0.00 3.66 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 88 E 8.16 3.72 0.00 2.18 2.23 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 2.51 2.55 0.00 *90 V 7.88 3.96 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 0.92 0.00 0.00 0.96 0.00 0.00 91 L 7.99 3.95 0.00 1.84 1.76 0.91 0.85 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 92 S 7.83 4.08 0.00 3.91 3.95 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.03 4.07 0.00 2.29 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.71 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 94 I 7.77 3.80 2.01 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 1.68 0.84 0.90 0.00 0.00 95 K 8.43 3.98 0.00 1.86 1.86 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.65 1.59 7.81 96 Q 8.21 4.04 0.00 2.17 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 97 S 8.18 4.01 0.00 4.02 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 98 N 8.32 4.41 0.00 3.04 2.89 0.00 0.00 6.96 7.12 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 99 G 8.17 3.73 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 0.00 0.00 0.00 100 N 8.10 4.32 0.00 2.78 2.78 0.00 0.00 7.11 7.71 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 0.00 101 H 8.30 4.27 0.00 3.18 3.31 0.00 5.62 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 R 8.48 4.00 0.00 1.98 1.98 0.00 3.26 0.00 0.00 3.10 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 103 R 8.18 3.93 0.00 2.07 2.07 0.00 3.08 0.00 0.00 3.08 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 104 S 8.35 4.30 0.00 3.93 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 0.00 105 L 8.06 4.12 0.00 1.94 1.91 0.93 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 106 L 7.77 4.01 0.00 1.88 1.75 0.92 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 107 E 7.73 4.01 0.00 2.10 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 0.00 2.34 2.44 0.00 108 R 7.51 4.12 0.00 1.85 1.99 0.00 3.17 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.95 0.00 109 L 8.34 4.19 0.00 1.74 1.73 0.97 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 110 T 7.18 4.61 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 1.21 0.00 0.00 111 Q 7.34 4.01 0.00 2.20 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.68 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 * Residues marked with a * may have inaccurate shift predictions.