NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *6 H 4.6664 8.4449 117.3718 53.9553 28.9039 170.9938 7 R 4.7162 7.8534 121.2560 55.1649 30.6179 175.3263 8 L 4.5431 8.7743 124.5747 54.6034 43.0138 176.5739 9 S 4.7341 9.0251 115.5410 56.7861 65.8703 175.2409 10 A 4.2279 8.6496 121.8417 55.7383 17.9783 179.1895 11 E 3.9875 8.1807 117.3069 59.2135 29.4094 178.0486 12 E 3.6829 7.9111 119.3115 59.6070 29.5134 179.6478 13 R 3.9460 9.0344 119.0448 59.2875 30.0455 178.4645 14 D 3.9856 8.0300 118.0141 56.7877 40.8905 178.0746 15 Q 4.3708 8.6299 116.1808 56.7377 29.3385 176.7167 16 L 4.4641 7.1973 119.7896 56.2359 43.3090 178.2377 17 L 4.0972 8.8451 120.3212 57.4150 41.5535 177.6848 18 P 4.1932 0.0000 0.0000 66.1103 30.8856 177.4809 19 N 4.2812 8.1141 114.7558 55.8319 38.1875 176.7068 20 L 4.1989 7.9213 119.4174 58.1585 41.5745 179.4401 21 R 4.2324 8.0094 117.5588 59.6231 29.8814 178.4381 22 A 4.3044 8.0084 118.0541 53.6052 18.7914 178.6157 23 V 4.0740 8.8824 115.7273 62.7985 31.7351 176.1658 24 G 3.7736 7.6930 104.3560 45.6882 0.0000 173.5459 25 W 4.3480 7.9100 119.5585 55.0534 29.7054 175.8574 26 N 4.5615 8.3994 124.5303 52.8169 39.3099 174.6123 27 E 4.9306 8.8617 124.3238 55.6933 29.9740 176.7183 28 L 4.3716 9.0448 126.1260 55.8932 41.1663 176.7999 29 E 4.4234 8.7960 119.0745 58.0092 30.9182 177.9782 30 G 3.7745 8.3226 107.0167 47.6574 0.0000 173.2107 31 R 4.5434 7.6358 113.7154 53.6931 31.9234 174.8744 32 D 4.5786 8.3313 117.7773 53.7455 40.6372 174.5544 33 A 4.8453 7.8990 126.4413 51.0739 22.9315 174.4698 34 I 5.3202 8.2789 111.6961 59.2439 41.0331 174.5400 35 F 5.5204 9.1157 118.8483 55.3154 41.6514 173.1088 36 K 3.9005 8.5049 121.4503 54.2515 35.5641 174.6328 37 Q 4.4782 7.9357 127.3755 54.6105 30.0960 174.6694 38 F 4.3328 9.0788 126.3415 56.8555 41.3510 175.3063 39 H 4.5336 7.7901 121.1417 55.4455 31.9067 172.6219 40 F 4.7281 8.3807 125.6293 55.9757 40.8598 176.4812 41 K 4.2061 8.8745 118.4847 59.1017 31.8222 176.5627 42 D 4.6582 7.4098 115.2824 49.7640 42.8279 175.3924 43 F 3.9308 8.4593 119.3139 60.8060 39.1388 176.3084 44 N 4.0941 8.2494 116.6167 57.0432 38.8047 176.8083 45 R 3.6661 8.1270 118.8207 58.8721 29.9823 179.0932 46 A 3.1764 7.1036 120.2161 54.9991 18.5045 179.5035 47 F 3.6625 7.5181 119.1576 60.9366 39.1701 177.2982 48 G 3.5855 7.9414 105.6573 47.9692 0.0000 175.3629 49 F 4.1803 7.6219 122.5923 60.9308 39.2888 177.3444 50 M 3.6973 7.7645 118.6087 58.2557 31.2517 178.6606 51 T 3.6246 7.5605 116.5315 66.6745 68.4684 176.7450 52 R 4.0412 7.3811 116.0642 58.7653 30.0080 178.5543 53 V 3.9558 7.7847 119.3558 65.7575 31.3986 177.7981 54 A 4.1751 8.7453 121.2165 53.5376 18.5695 177.7869 55 L 4.7224 7.2844 118.6796 54.7106 40.3800 175.9426 56 Q 4.3904 7.5084 119.0938 57.2339 36.6939 175.3925 57 A 3.9685 7.9782 119.8572 55.4256 18.1153 179.5581 58 E 3.9598 7.6022 115.5307 59.3477 29.5978 179.2168 59 K 4.0122 7.7884 118.2381 59.4778 32.4077 178.3527 60 L 3.9663 9.2575 118.1100 54.9976 42.7966 176.1049 61 D 4.1084 8.7143 116.1615 54.4002 39.0492 174.9504 62 H 4.3436 7.3094 118.3384 55.6313 31.4332 171.7357 63 H 4.5429 8.0784 124.2358 53.9995 29.9304 173.7757 64 P 4.6327 0.0000 0.0000 61.8964 33.4843 175.0468 65 E 4.7466 8.8626 117.6250 54.3308 30.7665 174.9679 66 W 5.4403 9.1833 121.7708 54.8745 31.8169 174.4869 67 F 5.0261 9.2563 121.5841 56.7334 42.4657 172.9341 68 N 5.4679 7.7659 121.6818 53.3163 42.0499 172.7704 69 V 3.7604 8.8854 122.2761 63.0615 31.6519 175.2847 70 Y 4.3567 8.5660 120.8215 57.4044 40.3802 173.7555 71 N 5.0846 7.8951 116.4070 51.3060 38.4012 174.8188 72 K 5.0019 8.0683 117.2821 56.8548 36.6081 175.1187 73 V 4.9140 8.8302 124.2258 61.4833 34.1582 173.5771 74 H 5.1032 9.4573 129.2301 55.4476 31.2647 173.7438 75 I 5.2374 9.5282 127.4315 60.0017 40.2960 174.7620 76 T 5.5089 8.7937 122.0044 61.9229 72.2310 172.9616 77 L 5.1919 8.8721 123.8366 53.2279 45.5362 175.5583 78 S 4.9382 8.3852 115.8454 57.0986 65.2093 173.6342 79 T 4.3184 9.2152 122.1616 63.7125 69.2054 175.0727 80 H 4.5274 8.6461 123.4436 57.7800 31.1605 175.4557 81 E 4.0297 8.3370 118.8874 59.5198 30.8448 177.5178 82 C 4.0108 8.5364 112.6498 58.8119 28.3125 173.1054 83 A 4.7953 8.8957 121.4490 51.2796 22.5367 177.3952 84 G 3.9953 6.7211 105.6706 46.5302 0.0000 174.5107 85 L 4.9602 8.9347 126.4484 54.7606 43.3735 175.2296 86 S 4.6972 8.4096 112.4905 56.7910 65.4095 176.4969 87 E 3.8428 8.8534 120.7042 60.0535 29.0717 179.7893 88 R 3.7655 7.6652 117.0965 59.7166 29.9433 178.6117 89 D 4.1947 8.1451 118.3481 57.4381 40.5746 178.5813 90 I 3.5752 7.7254 119.6636 64.6437 37.0884 177.8101 91 N 4.2645 8.8192 118.7094 56.7215 38.9461 176.9068 92 L 3.9854 8.0546 121.6465 57.9351 42.1418 178.8228 93 A 3.8401 8.0075 121.0755 54.9141 17.9238 179.7617 94 S 4.0836 7.4320 112.5253 61.6230 63.2714 176.3254 95 F 4.2824 8.0255 122.7800 61.4314 39.1288 176.7423 96 I 3.6965 8.4371 119.7307 64.9960 36.8414 177.9728 97 E 4.4114 8.4837 118.2374 59.6741 29.1450 179.4428 98 Q 4.1017 7.8728 117.6358 59.0455 28.5144 178.3188 99 V 3.4417 7.3969 119.5006 65.8021 31.6420 177.5136 100 A 3.7624 8.6493 120.7724 55.1233 17.7840 179.9706 101 V 3.5135 7.3204 115.1277 66.1904 31.7656 177.7098 102 S 4.2595 8.1101 112.0612 61.8722 62.6234 175.9997 103 M 4.0221 8.0126 122.0833 55.7121 31.4463 176.6274 104 T 4.1379 6.1943 116.7496 62.7861 68.6660 174.4318 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 *6 H 8.44 4.67 0.00 2.95 2.97 0.00 7.18 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 7 R 7.85 4.72 0.00 1.76 1.93 0.00 3.26 0.00 0.00 3.88 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.56 0.00 8 L 8.77 4.54 0.00 1.51 1.63 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 9 S 9.03 4.73 0.00 3.87 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 10 A 8.65 4.23 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 11 E 8.18 3.99 0.00 2.04 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 2.37 2.36 0.00 12 E 7.91 3.68 0.00 2.02 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 0.00 2.30 2.37 0.00 13 R 9.03 3.95 0.00 1.95 1.95 0.00 3.29 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 1.64 1.65 0.00 14 D 8.03 3.99 0.00 2.71 2.75 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 15 Q 8.63 4.37 0.00 2.15 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.28 2.37 0.00 16 L 7.20 4.46 0.00 1.69 1.69 0.89 0.84 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 17 L 8.85 4.10 0.00 1.74 1.70 0.95 0.85 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 18 P 0.00 4.19 0.00 2.26 2.32 0.00 3.79 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.39 0.00 19 N 8.11 4.28 0.00 2.71 2.95 0.00 0.00 6.90 7.85 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 20 L 7.92 4.20 0.00 1.74 1.56 0.70 0.59 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 21 R 8.01 4.23 0.00 2.10 2.04 0.00 3.12 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.81 0.00 22 A 8.01 4.30 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 8.88 4.07 2.27 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 0.98 0.00 0.00 1.04 0.00 0.00 24 G 7.69 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 25 W 7.91 4.35 0.00 3.19 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 26 N 8.40 4.56 0.00 2.05 2.93 0.00 0.00 6.68 7.36 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 27 E 8.86 4.93 0.00 1.92 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 0.00 2.35 2.35 0.00 28 L 9.04 4.37 0.00 1.66 1.76 1.01 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 29 E 8.80 4.42 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 2.26 2.32 0.00 30 G 8.32 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 31 R 7.64 4.54 0.00 1.92 1.92 0.00 3.04 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.59 0.00 32 D 8.33 4.58 0.00 2.71 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 33 A 7.90 4.85 1.32 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 0.00 0.00 34 I 8.28 5.32 2.04 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.81 0.99 0.00 0.00 35 F 9.12 5.52 0.00 3.47 3.46 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 0.00 36 K 8.50 3.90 0.00 0.79 0.74 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.30 0.42 7.81 37 Q 7.94 4.48 0.00 2.06 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.67 0.00 0.00 0.00 0.00 0.00 2.21 2.39 0.00 38 F 9.08 4.33 0.00 3.20 2.39 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 39 H 7.79 4.53 0.00 2.98 2.93 0.00 5.71 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 F 8.38 4.73 0.00 2.95 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 41 K 8.87 4.21 0.00 1.81 1.92 0.00 1.74 0.00 0.00 1.79 0.00 0.00 3.11 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.47 7.81 42 D 7.41 4.66 0.00 2.87 2.82 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 0.00 0.00 0.00 43 F 8.46 3.93 0.00 3.19 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 44 N 8.25 4.09 0.00 2.80 2.85 0.00 0.00 7.24 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 45 R 8.13 3.67 0.00 2.11 1.67 0.00 3.19 0.00 0.00 3.11 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.54 0.00 46 A 7.10 3.18 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 47 F 7.52 3.66 0.00 1.95 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.94 3.59 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 0.00 0.00 0.00 49 F 7.62 4.18 0.00 2.74 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 M 7.76 3.70 0.00 1.21 1.24 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.81 0.00 51 T 7.56 3.62 4.20 0.00 0.00 0.00 0.00 0.00 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 52 R 7.38 4.04 0.00 2.05 2.13 0.00 3.06 0.00 0.00 3.14 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 53 V 7.78 3.96 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 0.87 0.00 0.00 0.41 0.00 0.00 54 A 8.75 4.18 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.28 4.72 0.00 1.76 1.72 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 56 Q 7.51 4.39 0.00 1.75 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.90 0.00 0.00 0.00 0.00 0.00 1.16 1.57 0.00 57 A 7.98 3.97 1.33 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 0.00 0.00 0.00 58 E 7.60 3.96 0.00 2.00 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 2.43 2.48 0.00 59 K 7.79 4.01 0.00 1.63 1.80 0.00 1.60 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.30 1.48 7.81 60 L 9.26 3.97 0.00 1.63 1.59 0.73 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 61 D 8.71 4.11 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 62 H 7.31 4.34 0.00 2.94 3.04 0.00 5.97 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 H 8.08 4.54 0.00 3.07 3.09 0.00 5.94 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 64 P 0.00 4.63 0.00 1.56 1.84 0.00 3.27 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.11 0.00 65 E 8.86 4.75 0.00 2.18 2.19 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 2.22 2.42 0.00 66 W 9.18 5.44 0.00 3.43 3.30 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 67 F 9.26 5.03 0.00 3.26 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 68 N 7.77 5.47 0.00 2.71 2.45 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 69 V 8.89 3.76 2.19 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 0.91 0.00 0.00 1.03 0.00 0.00 70 Y 8.57 4.36 0.00 2.97 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 71 N 7.90 5.08 0.00 2.70 2.11 0.00 0.00 5.49 7.06 0.00 0.00 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 K 8.07 5.00 0.00 1.96 1.79 0.00 1.47 0.00 0.00 1.84 0.00 0.00 2.82 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.49 1.59 7.81 73 V 8.83 4.91 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 1.35 0.00 0.00 1.35 0.00 0.00 74 H 9.46 5.10 0.00 3.52 3.43 0.00 5.78 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 I 9.53 5.24 2.26 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.13 1.33 0.00 0.00 76 T 8.79 5.51 4.59 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 1.43 0.00 0.00 77 L 8.87 5.19 0.00 1.62 1.79 0.77 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 78 S 8.39 4.94 0.00 4.17 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 79 T 9.22 4.32 4.37 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 1.28 0.00 0.00 80 H 8.65 4.53 0.00 3.07 3.32 0.00 5.97 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.34 4.03 0.00 1.97 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 2.34 0.00 82 C 8.54 4.01 0.00 3.11 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 A 8.90 4.80 1.24 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 0.00 0.00 0.00 84 G 6.72 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.93 4.96 0.00 1.61 1.59 0.91 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 86 S 8.41 4.70 0.00 3.81 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 87 E 8.85 3.84 0.00 1.94 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 2.38 2.35 0.00 88 R 7.67 3.77 0.00 1.63 1.61 0.00 3.08 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 89 D 8.15 4.19 0.00 2.80 2.63 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 90 I 7.73 3.58 1.99 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.04 0.84 0.00 0.00 91 N 8.82 4.26 0.00 2.70 2.83 0.00 0.00 6.79 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 L 8.05 3.99 0.00 1.69 1.63 0.93 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 93 A 8.01 3.84 0.45 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 0.00 0.00 94 S 7.43 4.08 0.00 4.01 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 95 F 8.03 4.28 0.00 3.10 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 96 I 8.44 3.70 2.48 0.00 0.00 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 1.99 0.95 1.04 0.00 0.00 97 E 8.48 4.41 0.00 2.28 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 3.15 2.93 0.00 98 Q 7.87 4.10 0.00 2.19 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.79 0.00 0.00 0.00 0.00 0.00 2.41 2.23 0.00 99 V 7.40 3.44 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 1.26 0.00 0.00 0.25 0.00 0.00 100 A 8.65 3.76 1.23 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 0.00 101 V 7.32 3.51 2.29 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 0.89 0.00 0.00 0.96 0.00 0.00 102 S 8.11 4.26 0.00 4.04 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 M 8.01 4.02 0.00 1.91 1.73 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.49 0.00 104 T 6.19 4.14 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 1.12 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.