NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.6523 8.1233 122.4693 52.1997 20.5757 175.3272 3 T 4.7996 8.4337 118.7252 61.0251 71.2795 171.7701 4 L 4.9794 9.0657 127.8946 53.2766 45.0861 174.2783 5 L 5.1591 8.8996 129.2991 53.7098 43.9858 174.9200 6 Q 5.2488 9.1572 124.6565 54.3666 31.3055 174.3456 7 L 5.3942 9.0176 123.4541 54.8433 44.6577 174.2946 8 H 5.0430 9.1440 115.4198 54.9276 32.7043 171.6492 9 F 5.0893 8.0195 111.9558 55.6111 41.2875 173.3430 10 A 4.7752 8.8902 121.8548 52.6829 18.7905 176.9788 11 F 4.9913 9.6716 122.7069 57.7688 42.8162 174.5426 12 N 4.7598 8.5305 122.8358 54.3121 39.9182 174.9644 13 G 3.1403 6.0808 105.7683 42.4673 0.0000 171.0097 14 P 4.1727 0.0000 0.0000 62.8042 31.4094 175.8770 15 F 5.0914 8.3975 118.9304 55.9704 43.4114 177.0481 16 G 3.9776 9.1403 112.4404 47.4831 0.0000 176.1365 17 D 4.4150 8.7728 123.0278 56.7901 41.0792 178.4913 18 A 3.8661 7.7254 118.4915 52.6266 17.5669 178.8901 *20 A 4.0546 7.9807 123.9200 53.6162 20.6548 179.1184 21 E 4.0082 8.1380 116.6993 59.4019 30.0860 178.5261 22 Q 3.9502 8.0646 118.4569 59.1212 29.3199 177.1382 23 L 4.5741 7.6648 115.9170 54.7857 42.1956 178.5496 24 K 3.8097 7.8757 123.0924 59.2102 32.1376 177.0434 25 P 4.2774 0.0000 0.0000 65.3032 30.9971 178.2953 26 L 3.9976 7.8836 117.6450 58.1127 42.4511 178.2146 27 A 4.5456 8.0436 120.6196 55.6748 18.2135 179.3860 28 E 3.9886 8.3230 117.0628 59.6726 29.4165 179.8698 29 S 4.1933 8.1635 113.8669 61.2938 62.9617 176.6429 30 I 3.6571 7.7364 123.7725 63.9914 36.5649 177.5728 31 N 4.5780 7.7399 115.9919 54.9070 38.4111 175.3045 32 Q 4.4595 7.3511 119.9766 55.6195 29.8261 174.8335 33 E 4.3908 8.1043 118.1216 55.4560 30.3220 174.4386 34 P 4.4829 0.0000 0.0000 64.0656 31.9140 177.1299 35 G 4.1325 9.0950 110.3501 46.3085 0.0000 173.0093 36 F 3.7037 7.9578 122.2384 58.1416 39.8487 173.2828 37 L 4.3961 6.8998 127.0994 54.9505 43.1085 176.4704 38 W 4.5775 5.6997 113.1144 55.2508 31.1418 172.4486 39 K 4.9545 8.9558 121.6272 54.7155 35.2467 175.2276 40 V 4.5518 8.3858 126.2787 60.8398 33.7930 174.5255 41 W 4.4937 9.1886 128.5524 56.8766 29.9105 175.6972 42 T 4.8512 8.4950 121.4922 61.9832 70.2899 173.5022 43 E 5.1974 8.6258 121.9835 55.7156 33.0692 175.2375 44 S 4.1849 9.3744 117.1252 57.7925 64.7059 174.6977 45 E 2.5400 8.5592 127.8082 58.6935 29.3965 180.1084 46 K 3.9287 7.8117 115.8018 59.0932 32.6095 177.0677 47 N 4.7774 7.5852 113.2641 52.2689 39.8785 174.1310 48 H 4.3421 7.7325 114.6196 55.6389 26.8248 173.1747 49 E 5.4760 8.6207 117.5912 55.3238 34.9617 176.1225 50 A 4.7648 7.8775 121.5471 51.0478 23.2586 175.6144 51 G 3.7749 8.2366 107.5403 46.3668 0.0000 173.3210 52 G 4.1285 8.0355 112.1152 45.9837 0.0000 172.1306 53 I 4.8618 7.6608 122.4092 59.8213 39.3490 174.5897 54 Y 4.7520 9.4612 125.6293 56.1570 40.8952 174.9846 55 L 4.6957 7.4396 123.0052 53.3775 45.0694 175.4222 56 F 5.1759 8.9805 125.2355 55.6577 41.8345 176.9867 57 T 4.1654 9.0260 111.7954 64.4709 69.7633 174.0824 58 D 4.7078 7.9177 119.4193 50.3404 42.7313 175.5251 59 E 3.8515 8.7798 120.1316 59.2076 29.5392 178.8062 60 K 3.8631 7.9387 119.2783 59.6381 32.3204 178.7910 61 S 4.0815 8.6720 115.5002 61.3292 62.7088 176.6792 62 A 2.5800 7.3033 123.4289 54.5812 18.0585 179.5788 63 L 3.7343 7.9587 117.6744 57.7790 41.6892 179.5027 64 A 3.8738 7.7817 120.5275 55.3646 18.3220 178.9996 65 Y 3.7442 7.6164 117.7549 60.6383 38.9781 177.7646 66 L 3.7119 8.1720 121.5303 58.1788 41.9468 178.5766 67 E 3.7783 8.1413 119.0206 59.0614 29.5625 178.5699 68 K 3.7447 7.6530 119.4649 59.9042 32.2389 178.2783 69 H 3.8844 8.1117 118.3329 59.0540 29.2961 177.4462 70 T 3.6945 7.3318 116.5024 66.3247 68.7399 176.1999 71 A 4.0407 7.5339 122.7299 55.1231 18.3450 179.5831 72 R 3.7555 7.9376 117.1556 59.6248 30.1369 178.6687 73 L 3.8036 7.8355 118.4354 57.1703 41.4601 179.5266 74 K 4.2647 7.5961 119.5334 58.5515 31.7122 178.7264 75 N 4.4777 8.1698 115.9649 55.1563 38.5597 176.2656 76 L 4.5184 7.6419 118.2264 54.1840 42.1156 177.0007 77 G 3.7720 7.9323 107.2019 45.6706 0.0000 173.6925 78 V 3.9261 7.8718 120.7111 61.8637 31.4400 176.5119 79 E 4.1793 8.7497 127.2257 57.3928 30.2416 176.5995 80 E 4.5345 8.0057 117.1619 54.2753 32.5556 174.7412 81 V 4.3550 8.3532 123.8541 61.0820 33.3032 175.1766 82 V 4.0604 8.4951 129.6093 62.3150 32.0347 174.6835 83 A 5.3413 8.4326 128.5686 50.3193 22.7886 174.6403 84 K 4.3073 9.0403 119.7468 54.7472 36.2090 175.0624 85 V 4.5419 7.8670 126.4394 61.2122 33.4053 174.2811 86 F 5.2068 8.8830 125.5758 55.8733 43.2398 173.6566 87 D 5.1689 8.8119 119.1483 53.1255 42.6758 176.3438 88 V 4.1649 8.2685 122.1231 61.7166 33.1748 176.1299 89 N 4.6187 8.7408 126.2339 52.4209 38.6389 175.1461 90 E 3.9719 8.5875 127.6977 58.8986 29.2617 176.9938 91 P 4.2449 0.0000 0.0000 65.9205 31.5256 178.6481 92 L 4.0462 8.0354 116.8876 57.9190 41.3505 179.7261 93 S 4.1989 8.0140 114.0687 61.4375 62.7380 176.5185 94 Q 4.1467 8.2560 120.6004 59.1119 28.5962 178.4081 95 I 3.8305 7.1201 118.2628 64.0880 38.2093 177.5708 96 N 4.6073 7.7631 116.5112 52.4744 36.5691 175.0834 97 Q 3.9398 7.8246 125.0650 56.5604 29.9666 172.5121 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 A 8.12 4.65 1.28 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 0.00 0.00 3 T 8.43 4.80 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 4 L 9.07 4.98 0.00 1.71 1.62 0.98 0.94 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 5 L 8.90 5.16 0.00 1.90 1.74 0.74 0.39 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 6 Q 9.16 5.25 0.00 2.23 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.45 0.00 0.00 0.00 0.00 0.00 2.52 2.39 0.00 7 L 9.02 5.39 0.00 1.97 1.83 1.14 0.91 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 8 H 9.14 5.04 0.00 3.10 3.30 0.00 5.30 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 F 8.02 5.09 0.00 3.18 3.26 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 10 A 8.89 4.78 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 11 F 9.67 4.99 0.00 3.34 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 12 N 8.53 4.76 0.00 2.60 2.82 0.00 0.00 7.01 7.65 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 13 G 6.08 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 0.00 0.00 0.00 14 P 0.00 4.17 0.00 2.03 1.99 0.00 3.67 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.05 0.00 15 F 8.40 5.09 0.00 3.17 3.17 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 16 G 9.14 3.98 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 0.00 0.00 0.00 17 D 8.77 4.42 0.00 2.73 2.72 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 0.00 0.00 0.00 18 A 7.73 3.87 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 *20 A 7.98 4.05 1.27 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 0.00 0.00 0.00 21 E 8.14 4.01 0.00 2.09 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 2.29 2.22 0.00 22 Q 8.06 3.95 0.00 2.07 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 7.19 0.00 0.00 0.00 0.00 0.00 2.42 2.36 0.00 23 L 7.66 4.57 0.00 1.49 1.58 1.10 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 24 K 7.88 3.81 0.00 1.89 1.75 0.00 1.60 0.00 0.00 1.62 0.00 0.00 3.14 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.41 7.81 25 P 0.00 4.28 0.00 2.22 2.10 0.00 3.73 0.00 0.00 3.67 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 26 L 7.88 4.00 0.00 1.75 2.04 1.25 1.25 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 27 A 8.04 4.55 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 28 E 8.32 3.99 0.00 2.17 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 2.34 2.65 0.00 29 S 8.16 4.19 0.00 4.13 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 0.00 30 I 7.74 3.66 1.79 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.87 -0.30 0.00 0.00 31 N 7.74 4.58 0.00 2.82 2.97 0.00 0.00 6.87 7.55 0.00 0.00 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 Q 7.35 4.46 0.00 1.97 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 33 E 8.10 4.39 0.00 2.14 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 2.58 2.51 0.00 34 P 0.00 4.48 0.00 2.12 2.06 0.00 3.85 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.15 0.00 35 G 9.09 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 36 F 7.96 3.70 0.00 2.84 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 37 L 6.90 4.40 0.00 1.07 1.48 0.83 0.84 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 38 W 5.70 4.58 0.00 3.30 2.96 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 39 K 8.96 4.95 0.00 1.62 1.75 0.00 0.61 0.00 0.00 0.71 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.65 0.21 7.81 40 V 8.39 4.55 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 1.00 0.00 0.00 1.11 0.00 0.00 41 W 9.19 4.49 0.00 3.22 3.25 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 42 T 8.50 4.85 4.31 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 1.19 0.00 0.00 43 E 8.63 5.20 0.00 2.27 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 2.30 2.42 0.00 44 S 9.37 4.18 0.00 3.85 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 45 E 8.56 2.54 0.00 1.66 1.61 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 1.47 1.98 0.00 46 K 7.81 3.93 0.00 1.82 1.88 0.00 1.51 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.43 7.81 47 N 7.59 4.78 0.00 2.76 2.89 0.00 0.00 7.16 8.04 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 48 H 7.73 4.34 0.00 3.51 3.60 0.00 5.77 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 49 E 8.62 5.48 0.00 1.92 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 2.34 2.43 0.00 50 A 7.88 4.76 1.05 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 51 G 8.24 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 52 G 8.04 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 53 I 7.66 4.86 1.98 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 1.26 1.21 0.97 0.00 0.00 54 Y 9.46 4.75 0.00 2.98 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 55 L 7.44 4.70 0.00 0.27 0.13 0.70 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 56 F 8.98 5.18 0.00 2.97 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 57 T 9.03 4.17 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 1.26 0.00 0.00 58 D 7.92 4.71 0.00 2.79 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 59 E 8.78 3.85 0.00 2.03 1.95 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 2.31 2.31 0.00 60 K 7.94 3.86 0.00 1.83 1.87 0.00 1.76 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.50 7.81 61 S 8.67 4.08 0.00 4.14 4.18 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 62 A 7.30 2.58 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.96 3.73 0.00 1.56 1.63 0.85 0.53 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 64 A 7.78 3.87 1.34 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 0.00 0.00 65 Y 7.62 3.74 0.00 2.97 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 66 L 8.17 3.71 0.00 1.67 1.74 0.86 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.14 3.78 0.00 1.96 1.95 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 2.22 2.24 0.00 68 K 7.65 3.74 0.00 1.78 1.65 0.00 1.51 0.00 0.00 1.49 0.00 0.00 2.49 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 1.51 7.81 69 H 8.11 3.88 0.00 2.05 2.82 0.00 5.83 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 T 7.33 3.69 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 1.13 0.00 0.00 71 A 7.53 4.04 1.28 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 0.00 0.00 72 R 7.94 3.76 0.00 1.80 1.84 0.00 3.15 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 73 L 7.84 3.80 0.00 1.62 1.30 0.44 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 74 K 7.60 4.26 0.00 1.96 1.80 0.00 1.61 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.45 7.81 75 N 8.17 4.48 0.00 2.79 2.86 0.00 0.00 6.98 7.60 0.00 0.00 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 L 7.64 4.52 0.00 1.75 1.88 0.92 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 77 G 7.93 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 78 V 7.87 3.93 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 0.70 0.00 0.00 0.70 0.00 0.00 79 E 8.75 4.18 0.00 1.98 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 2.26 2.37 0.00 80 E 8.01 4.53 0.00 1.94 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 2.20 2.27 0.00 81 V 8.35 4.35 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 0.85 0.00 0.00 0.87 0.00 0.00 82 V 8.50 4.06 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 0.97 0.00 0.00 0.90 0.00 0.00 83 A 8.43 5.34 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 84 K 9.04 4.31 0.00 1.79 1.28 0.00 1.32 0.00 0.00 1.55 0.00 0.00 2.78 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.40 0.60 7.81 85 V 7.87 4.54 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 0.79 0.00 0.00 0.80 0.00 0.00 86 F 8.88 5.21 0.00 3.10 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 87 D 8.81 5.17 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 88 V 8.27 4.16 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 0.82 0.00 0.00 1.01 0.00 0.00 89 N 8.74 4.62 0.00 2.80 2.72 0.00 0.00 7.21 7.65 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 90 E 8.59 3.97 0.00 2.11 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 2.42 2.50 0.00 91 P 0.00 4.24 0.00 2.15 2.12 0.00 3.81 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 2.12 2.21 0.00 92 L 8.04 4.05 0.00 1.72 1.71 0.94 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 93 S 8.01 4.20 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 94 Q 8.26 4.15 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.90 0.00 0.00 0.00 0.00 0.00 2.72 2.56 0.00 95 I 7.12 3.83 2.02 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 1.52 0.65 0.90 0.00 0.00 96 N 7.76 4.61 0.00 2.72 2.79 0.00 0.00 7.10 7.17 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 97 Q 7.82 3.94 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.65 0.00 0.00 0.00 0.00 0.00 2.17 2.23 0.00 * Residues marked with a * may have inaccurate shift predictions.