NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6043 8.1627 120.3526 54.7212 33.4909 174.4296 2 Q 3.6671 8.7789 123.9678 57.2435 29.4548 176.0774 3 F 4.2704 9.9550 123.8992 57.7706 38.6431 173.7664 4 K 4.7575 7.6423 121.0950 55.1076 34.1390 175.8415 5 V 4.5296 8.3100 117.6177 60.0826 33.9083 174.7431 6 Y 5.2029 8.0794 121.0799 55.5104 42.4684 174.1298 7 T 4.6519 7.8850 115.8354 61.6092 72.4548 172.6703 8 Y 5.3156 8.4596 119.5106 56.0488 40.2873 176.2396 9 K 3.8472 9.2436 119.1006 60.3348 32.6999 176.0809 *14 Y 4.6883 7.5172 120.2111 57.3467 39.4525 174.9523 15 R 4.2496 8.0417 116.3929 56.0151 31.1383 175.8953 16 L 4.6498 8.2657 123.6815 53.0182 44.7955 175.2506 17 F 5.3333 7.8696 114.8702 55.8286 41.8360 172.9895 18 V 4.6541 8.9702 121.6259 61.3384 33.4642 174.2278 19 D 4.9468 9.0772 128.7851 54.4853 41.8246 176.4414 20 V 4.2707 8.4293 118.3609 61.0257 32.7641 176.0034 21 Q 4.1641 8.0887 122.1654 54.9004 29.4127 175.5990 22 S 4.1474 8.3434 117.9120 58.7025 62.9134 174.7793 23 D 4.4888 8.4467 124.9409 56.0439 40.9716 177.1596 24 I 3.9106 7.6552 118.1373 61.5200 38.2988 175.1490 25 I 4.2244 7.1933 119.9442 60.1570 37.4770 174.6618 26 D 4.7739 8.3730 126.2301 52.7676 41.7272 177.0215 27 T 3.9997 8.7164 122.1133 65.6329 68.6431 173.6695 28 P 4.5451 0.0000 0.0000 63.5427 32.6572 177.0967 29 G 3.6061 8.0437 105.7993 48.1425 0.0000 172.8588 30 R 5.3579 7.3399 117.6987 54.6384 34.6157 174.6924 31 R 4.5578 8.4179 118.6590 55.4407 34.0758 173.9654 32 M 4.6900 8.6582 126.1913 55.4972 33.2988 175.4401 33 V 5.0131 8.7494 122.0816 61.3225 36.1620 173.7988 34 I 4.8941 8.7177 126.5313 58.6257 39.9123 173.5900 35 P 5.0210 0.0000 0.0000 62.9514 32.6741 175.1129 36 L 5.4485 8.5876 120.9015 53.2131 44.0093 175.8111 37 A 5.0749 9.0527 123.2362 49.7321 23.1855 175.6496 38 S 3.6119 8.7512 114.2889 58.0653 62.7850 175.3752 39 A 4.0575 8.2929 130.8807 55.0786 18.3814 179.7930 40 R 3.9092 7.7375 114.0619 59.1511 30.2784 178.1569 41 L 4.0967 7.7619 117.0357 56.3656 41.8038 177.0506 42 L 4.6990 7.1636 118.2239 52.3699 43.9532 176.6062 43 S 4.3995 8.2630 117.2265 57.9488 63.8943 174.0648 44 D 4.7395 8.4162 118.5494 53.8241 39.1616 177.3619 45 K 4.1457 7.5885 120.2039 58.2740 32.5053 177.5553 46 V 3.7181 7.2514 119.5563 61.9570 32.0602 175.4058 47 S 4.0568 8.9394 120.7254 59.4588 62.3778 174.7922 48 R 4.6634 8.5664 124.5711 56.4787 30.5406 178.1087 49 E 4.0606 8.0832 118.1519 58.2941 30.1018 178.1365 50 L 3.9483 7.5994 118.9615 56.4326 42.5499 175.9821 51 Y 5.1726 7.9465 116.0505 53.7097 37.8684 173.4704 52 P 4.6442 0.0000 0.0000 62.4253 33.2899 176.1922 53 V 4.7625 8.2931 121.3100 61.8080 32.7191 175.3081 54 V 4.6399 9.1769 120.9116 59.8519 35.5240 174.1248 55 H 5.5665 8.8282 119.1526 54.2778 30.9660 173.8749 56 I 4.5456 8.6991 123.7125 60.4535 40.8762 174.8277 57 G 4.2338 8.8068 114.9440 46.9801 0.0000 173.3958 58 D 4.9801 8.7655 120.6466 54.0179 41.9376 175.8002 59 E 4.7507 8.0049 115.2073 54.0584 33.3500 174.8621 60 S 5.1954 8.0792 116.6572 57.0561 65.4404 173.2877 61 W 5.3963 9.3550 122.7755 55.0625 33.6145 174.2055 62 R 5.0709 9.5189 122.3510 54.9431 31.9235 175.4214 63 M 4.5093 8.9406 123.9335 54.7485 33.1047 176.7146 64 M 4.9304 8.9872 127.9313 53.7404 31.2168 176.8578 65 T 3.8389 8.3231 120.3184 66.9919 69.0892 176.4608 66 T 4.1032 7.9837 106.9555 63.0358 68.7643 174.0785 67 D 4.9254 7.9698 121.7950 54.2010 41.4425 175.7492 68 M 4.3932 7.4466 118.3582 56.8161 32.8226 175.2716 69 A 4.6183 8.8357 124.3316 50.9702 23.5676 175.0170 70 S 4.8764 8.5278 114.8484 57.3222 63.4792 173.4659 71 V 4.5063 8.2528 127.5217 60.0211 34.3677 173.1562 72 P 4.8304 0.0000 0.0000 62.4602 32.2651 177.7603 73 V 3.5633 8.6109 115.7829 64.4272 31.6010 178.3358 74 S 4.2906 8.0027 112.3654 59.8138 63.3377 174.6418 75 V 4.1143 7.7655 120.4087 62.9185 32.1100 174.9968 76 I 4.2625 7.4138 120.7827 61.6017 37.5485 175.5005 77 G 4.2589 8.8451 124.4493 46.2617 0.0000 173.5736 78 E 4.3937 8.8363 124.0248 56.0425 30.9234 175.6721 79 E 4.0580 8.8209 124.6641 56.3924 29.7492 176.2037 80 V 4.2467 8.2929 126.4672 64.0695 33.7384 174.9222 81 A 4.4406 7.1097 119.2471 51.1114 22.6995 174.6262 82 D 4.9418 8.5925 118.2752 52.2539 43.6889 175.5036 83 L 4.6080 9.0547 127.8580 54.4390 42.6283 179.2200 84 S 3.8932 8.6159 118.6280 61.9523 62.8737 176.6259 85 H 4.3071 8.0769 113.6042 57.4595 28.6217 176.4235 86 R 4.3496 7.6070 119.3238 55.7956 29.9904 177.0388 87 E 3.0308 7.4913 122.3211 59.5034 29.4016 178.9517 88 N 4.2912 7.9270 115.4658 56.5615 38.8163 177.0612 89 D 4.3917 7.9371 119.7292 57.2770 41.0195 178.7938 90 I 3.7762 7.7844 120.5112 64.1238 37.1247 178.3580 91 K 4.0652 8.3501 120.7669 59.7119 32.0922 178.6554 92 N 4.3806 8.3250 116.5663 56.1368 38.3935 177.3387 93 A 4.1448 7.8450 123.2814 54.6468 18.5660 179.8238 94 I 3.5269 7.6047 117.8235 64.6838 37.1835 178.5510 95 N 4.5726 8.4126 117.2901 56.0523 38.3004 177.3619 96 L 3.9266 7.9914 122.0778 58.2375 41.9783 178.6030 97 M 3.7195 7.5273 117.1415 58.1030 32.0932 177.7957 98 F 4.0349 7.1544 116.4112 59.0986 39.5975 176.8801 99 W 4.9821 7.6644 116.1919 55.5603 29.1539 176.7282 100 G 3.9705 8.2309 106.2206 49.1523 0.0000 173.7978 101 I 3.8885 7.2863 116.8163 59.5939 37.5439 174.6285 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 M 8.16 4.60 0.00 2.14 2.17 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.57 0.00 2 Q 8.78 3.67 0.00 1.90 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 5.91 0.00 0.00 0.00 0.00 0.00 1.16 1.60 0.00 3 F 9.96 4.27 0.00 3.29 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 4 K 7.64 4.76 0.00 1.62 1.17 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.41 7.81 5 V 8.31 4.53 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 0.52 0.00 0.00 0.55 0.00 0.00 6 Y 8.08 5.20 0.00 1.98 2.44 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 0.00 0.00 0.00 0.00 7 T 7.88 4.65 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 1.29 0.00 0.00 8 Y 8.46 5.32 0.00 2.86 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 9 K 9.24 3.85 0.00 1.92 2.05 0.00 1.66 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.58 1.53 7.81 *14 Y 7.52 4.69 0.00 2.93 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 15 R 8.04 4.25 0.00 2.09 2.12 0.00 2.88 0.00 0.00 3.04 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.82 0.00 16 L 8.27 4.65 0.00 0.98 1.05 -0.12 -0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 17 F 7.87 5.33 0.00 3.16 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 V 8.97 4.65 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 1.10 0.00 0.00 0.94 0.00 0.00 19 D 9.08 4.95 0.00 3.13 2.92 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 20 V 8.43 4.27 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 0.80 0.00 0.00 0.96 0.00 0.00 21 Q 8.09 4.16 0.00 2.01 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.85 0.00 0.00 0.00 0.00 0.00 2.31 2.25 0.00 22 S 8.34 4.15 0.00 3.86 3.69 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 0.00 0.00 0.00 0.00 23 D 8.45 4.49 0.00 2.69 2.69 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 0.00 0.00 0.00 0.00 24 I 7.66 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 1.29 0.76 0.90 0.00 0.00 25 I 7.19 4.22 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 1.28 1.01 0.89 0.00 0.00 26 D 8.37 4.77 0.00 2.64 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 27 T 8.72 4.00 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 1.18 0.00 0.00 28 P 0.00 4.55 0.00 2.18 2.26 0.00 3.68 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.92 0.00 29 G 8.04 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 30 R 7.34 5.36 0.00 1.70 1.77 0.00 3.16 0.00 0.00 3.11 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.50 0.00 31 R 8.42 4.56 0.00 1.80 1.58 0.00 3.08 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.59 0.00 32 M 8.66 4.69 0.00 1.98 1.95 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.46 0.00 33 V 8.75 5.01 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 0.69 0.00 0.00 0.70 0.00 0.00 34 I 8.72 4.89 1.94 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.62 1.02 0.00 0.00 35 P 0.00 5.02 0.00 2.23 2.32 0.00 3.71 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.07 0.00 36 L 8.59 5.45 0.00 1.44 1.76 0.50 0.66 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 37 A 9.05 5.07 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 38 S 8.75 3.61 0.00 3.49 3.62 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 39 A 8.29 4.06 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 40 R 7.74 3.91 0.00 1.70 1.94 0.00 3.15 0.00 0.00 3.16 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 41 L 7.76 4.10 0.00 1.75 1.70 0.88 1.00 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 42 L 7.16 4.70 0.00 1.49 1.46 0.84 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.26 4.40 0.00 3.98 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 44 D 8.42 4.74 0.00 2.79 2.80 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 45 K 7.59 4.15 0.00 1.72 1.91 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.36 7.81 46 V 7.25 3.72 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 0.61 0.00 0.00 0.90 0.00 0.00 47 S 8.94 4.06 0.00 3.95 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 48 R 8.57 4.66 0.00 1.94 1.97 0.00 3.47 0.00 0.00 3.32 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.64 0.00 49 E 8.08 4.06 0.00 2.01 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 2.38 2.30 0.00 50 L 7.60 3.95 0.00 1.36 1.38 0.58 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 51 Y 7.95 5.17 0.00 3.09 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 52 P 0.00 4.64 0.00 2.14 2.20 0.00 3.95 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 2.11 1.82 0.00 53 V 8.29 4.76 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 0.82 0.00 0.00 0.96 0.00 0.00 54 V 9.18 4.64 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 0.68 0.00 0.00 1.09 0.00 0.00 55 H 8.83 5.57 0.00 3.05 3.29 0.00 5.84 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 I 8.70 4.55 1.96 0.00 0.00 0.42 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 1.00 0.89 0.00 0.00 57 G 8.81 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 0.00 0.00 0.00 0.00 58 D 8.77 4.98 0.00 2.65 2.67 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 0.00 0.00 0.00 0.00 59 E 8.00 4.75 0.00 2.18 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 2.13 2.28 0.00 60 S 8.08 5.20 0.00 3.66 3.67 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 0.00 0.00 0.00 0.00 61 W 9.35 5.40 0.00 3.16 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 62 R 9.52 5.07 0.00 1.85 1.89 0.00 3.37 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.71 0.00 63 M 8.94 4.51 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.58 0.00 64 M 8.99 4.93 0.00 2.12 2.19 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.74 0.00 65 T 8.32 3.84 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 1.03 0.00 0.00 66 T 7.98 4.10 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 1.10 0.00 0.00 67 D 7.97 4.93 0.00 2.86 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 68 M 7.45 4.39 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.55 0.00 69 A 8.84 4.62 1.18 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 0.00 0.00 70 S 8.53 4.88 0.00 3.86 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 71 V 8.25 4.51 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 0.63 0.00 0.00 0.68 0.00 0.00 72 P 0.00 4.83 0.00 2.24 2.14 0.00 3.74 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.98 0.00 73 V 8.61 3.56 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 0.86 0.00 0.00 0.92 0.00 0.00 74 S 8.00 4.29 0.00 3.97 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 75 V 7.77 4.11 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 1.34 0.00 0.00 0.99 0.00 0.00 76 I 7.41 4.26 1.81 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 1.29 0.52 0.23 0.00 0.00 77 G 8.85 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 0.00 0.00 0.00 0.00 78 E 8.84 4.39 0.00 1.93 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 0.00 2.43 2.29 0.00 79 E 8.82 4.06 0.00 2.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.88 0.00 80 V 8.29 4.25 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 0.73 0.00 0.00 0.91 0.00 0.00 81 A 7.11 4.44 1.12 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 0.00 0.00 82 D 8.59 4.94 0.00 2.61 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 83 L 9.05 4.61 0.00 1.78 1.51 0.89 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 84 S 8.62 3.89 0.00 3.91 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 85 H 8.08 4.31 0.00 3.23 3.40 0.00 5.51 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 86 R 7.61 4.35 0.00 1.78 1.85 0.00 3.30 0.00 0.00 3.13 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.67 0.00 87 E 7.49 3.03 0.00 1.51 1.71 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 2.21 2.14 0.00 88 N 7.93 4.29 0.00 2.73 2.83 0.00 0.00 7.10 8.08 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 89 D 7.94 4.39 0.00 2.77 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 90 I 7.78 3.78 2.01 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.05 1.13 0.00 0.00 91 K 8.35 4.07 0.00 2.02 2.03 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.59 7.81 92 N 8.32 4.38 0.00 3.02 2.86 0.00 0.00 6.94 6.96 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 93 A 7.84 4.14 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 94 I 7.60 3.53 1.97 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.15 1.16 0.00 0.00 95 N 8.41 4.57 0.00 2.93 3.07 0.00 0.00 6.72 6.36 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 96 L 7.99 3.93 0.00 1.84 1.79 0.90 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 97 M 7.53 3.72 0.00 1.48 1.68 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 1.82 0.00 98 F 7.15 4.03 0.00 1.78 1.45 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 0.00 0.00 0.00 0.00 99 W 7.66 4.98 0.00 3.54 3.21 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 0.00 100 G 8.23 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 0.00 101 I 7.29 3.89 1.93 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 1.20 0.63 1.10 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.