NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 L 4.4423 8.0427 122.7682 54.7587 44.9924 176.2200 18 I 3.8930 8.0321 119.0658 60.7454 38.1642 173.2695 19 W 4.9307 9.5902 135.0000 55.9435 34.4214 173.7039 20 G 3.6151 6.9556 109.6663 44.9973 0.0000 171.5395 21 C 4.3399 7.3952 114.0967 56.1815 33.6813 172.2267 22 E 4.8661 8.3562 120.4628 54.5169 31.0527 174.7484 23 L 5.0085 8.7198 128.0432 53.5761 43.7639 175.6174 24 N 5.2230 8.3388 119.7963 51.0074 40.5539 173.9107 25 E 4.0479 8.7581 119.4210 59.8311 29.6958 178.5848 26 Q 4.1514 8.3138 115.4685 58.5148 29.7069 176.6276 27 N 5.1070 8.1962 114.5908 51.6513 38.5377 175.2883 28 K 4.2949 7.9701 119.9671 58.6292 33.8781 177.9490 29 T 5.3219 7.9191 115.4295 61.8008 71.3785 173.8193 30 F 4.8347 9.5776 127.0693 56.9215 43.2663 172.3451 31 E 5.1689 8.3896 126.8215 54.4310 31.8442 174.3760 32 F 5.0259 10.0591 132.7979 57.1978 41.3220 174.8077 33 K 4.6274 7.9637 129.0895 53.5074 34.7735 173.8190 34 V 3.5413 7.8185 120.4838 60.4548 33.5180 176.2245 *40 K 4.0089 8.2305 121.6716 55.4418 33.0028 168.7455 41 C 4.3574 7.7376 114.3231 58.5276 32.6190 173.4849 42 E 4.5168 8.2544 129.2811 54.1406 28.9748 173.5853 43 H 5.2702 8.0797 118.5566 53.6788 31.9124 173.8603 44 Q 4.6488 8.6901 120.1953 54.9831 31.2744 174.3623 45 L 4.6934 8.8375 123.8390 53.5450 44.0131 174.8333 46 A 5.1113 8.6434 129.0902 50.3831 20.7327 176.1513 47 L 4.5958 8.5942 123.3582 55.1377 42.5140 176.4962 48 R 4.6408 9.2708 120.1153 57.6191 32.8274 175.9834 49 T 5.1169 7.6866 106.6406 60.3017 72.6262 172.3644 50 V 4.9373 8.6300 123.6088 61.4372 34.5181 174.0903 51 C 5.2309 8.9158 120.9007 57.2458 33.6537 172.3457 52 L 4.7521 8.2589 119.3353 52.8487 43.3194 177.3384 53 G 4.0911 8.2887 109.7216 46.0208 0.0000 174.5196 54 D 4.5722 8.9118 120.0545 55.0379 39.7996 177.2383 55 K 4.3982 7.8439 117.4905 55.8003 32.4990 176.0611 56 A 4.4132 7.5708 122.2299 51.3381 18.7338 178.5467 57 K 4.1702 7.7048 121.8538 56.6467 32.8654 177.5361 58 D 4.7627 8.1846 122.0745 52.7756 39.2607 174.5088 59 E 4.5517 7.6272 119.7200 54.0633 34.1173 174.9861 60 F 4.3953 8.4909 119.4281 57.9937 39.7119 174.5840 61 H 5.6019 9.3921 121.8380 53.4800 30.9176 173.7923 62 I 5.1685 8.4674 123.7874 59.3601 40.4237 174.7189 63 V 4.9449 8.8359 126.0420 59.8440 33.8717 174.3925 64 E 5.2571 9.6909 123.0612 54.4661 33.4353 174.5803 65 I 4.6458 8.9201 122.5917 60.0474 38.7085 174.7329 66 V 4.4567 8.1514 127.7372 61.6278 32.7233 173.9440 67 D 5.2695 8.2251 131.1667 51.7787 41.1472 176.2898 *73 E 4.0096 8.6606 111.2305 57.0845 30.0459 171.1837 74 K 4.4030 7.7769 125.0217 52.8459 31.0462 175.4785 75 S 4.6345 8.2456 121.2393 57.6501 64.1475 173.9158 76 V 4.4207 9.0128 124.7180 60.1238 33.5435 172.9335 77 P 4.9474 0.0000 0.0000 63.1838 31.2527 176.2168 78 I 4.6706 9.0956 114.5456 61.0646 39.9862 175.3861 79 A 4.8048 7.9555 122.3773 50.3865 22.9668 175.0113 80 T 5.0374 8.6195 116.7267 61.9469 70.8265 173.5528 81 L 5.0746 9.1088 125.9539 53.0771 46.3158 175.4903 82 K 4.6255 8.6375 118.5473 56.1154 35.5010 174.1189 83 P 4.1765 0.0000 0.0000 65.8512 31.2702 177.5406 84 S 4.4393 7.9895 108.7897 58.9843 63.6201 174.0780 85 I 4.2063 7.5651 119.9785 62.5319 38.9841 176.2245 86 L 4.2708 8.0659 127.1063 54.1100 42.9503 172.6115 87 P 4.5675 0.0000 0.0000 62.1321 31.6581 175.1066 88 M 4.8680 7.4492 113.6924 55.4953 33.5154 173.3223 89 A 4.7525 8.8837 120.4827 51.0565 23.4930 175.0215 90 T 4.9475 8.4346 115.7408 62.1648 70.5194 173.9147 91 M 4.5909 8.6604 126.5791 53.7219 33.7027 176.0188 92 V 4.2197 8.2109 122.4076 62.2826 34.1820 175.6294 93 G 3.8682 9.0956 115.2896 45.3091 0.0000 173.1339 94 I 4.1168 7.4700 120.9252 60.8063 37.7332 174.2691 95 E 5.1721 8.6747 126.8620 54.3995 31.5385 175.7380 96 L 4.8660 8.9439 124.5997 52.7812 45.6006 175.5114 97 D 4.8984 8.6463 122.7424 53.2587 41.3486 174.9710 98 P 4.5576 0.0000 0.0000 61.7337 32.2625 174.1326 99 P 4.8574 0.0000 0.0000 62.5554 32.5073 176.2068 100 V 4.5070 9.0636 114.7693 59.8741 35.8509 174.7679 101 T 5.0264 7.6988 116.4179 61.8302 71.6143 172.9722 102 F 5.2438 9.5473 125.3038 55.8454 42.0085 174.8239 103 R 5.1052 9.1753 122.5093 54.6530 33.7254 174.3332 104 L 4.9562 9.2020 128.9429 53.5146 40.0321 175.6411 105 K 4.1464 8.6848 125.4720 58.9432 32.8450 175.9875 106 A 4.6220 8.0169 119.0493 51.3820 22.9008 176.1561 107 G 3.9813 9.1677 105.7884 45.4499 0.0000 173.3227 108 S 4.4687 8.1949 110.3156 56.6051 65.1271 175.5349 109 G 4.0077 8.1117 109.9492 43.8989 0.0000 170.4881 110 P 4.3665 0.0000 0.0000 62.8407 32.6464 175.4072 111 L 4.7074 8.5873 124.6616 53.4268 45.3474 174.6376 112 Y 5.1138 8.4787 123.9965 56.7774 40.3045 174.6439 113 I 4.9360 8.3433 123.9450 59.4448 40.6225 174.7898 114 S 4.9131 8.8625 119.6030 56.9662 66.9680 172.8317 115 G 4.4026 8.6903 106.7271 46.4114 0.0000 171.9825 116 Q 5.1126 8.5435 117.3937 54.2681 33.4055 174.8268 117 H 4.9385 8.1068 120.5521 56.0506 29.5267 175.2193 118 V 4.5540 8.4843 120.6131 59.9556 35.4665 174.9460 119 A 4.1940 8.4386 123.0577 52.6118 18.3806 177.6084 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 17 L 8.04 4.44 0.00 1.81 1.78 0.95 0.60 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 18 I 8.03 3.89 1.88 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 0.51 0.90 0.00 0.00 19 W 9.59 4.93 0.00 3.36 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 20 G 6.96 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 0.00 0.00 0.00 21 C 7.40 4.34 0.00 1.68 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.36 4.87 0.00 2.01 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 2.16 2.14 0.00 23 L 8.72 5.01 0.00 1.61 1.61 1.07 0.66 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 24 N 8.34 5.22 0.00 2.75 2.72 0.00 0.00 6.90 6.93 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 25 E 8.76 4.05 0.00 1.96 2.06 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 0.00 2.34 2.33 0.00 26 Q 8.31 4.15 0.00 2.26 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 7.11 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 27 N 8.20 5.11 0.00 2.80 2.82 0.00 0.00 7.08 6.60 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 28 K 7.97 4.29 0.00 1.76 1.90 0.00 1.64 0.00 0.00 1.84 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.64 1.63 7.81 29 T 7.92 5.32 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 1.32 0.00 0.00 30 F 9.58 4.83 0.00 3.24 3.02 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 0.00 0.00 0.00 31 E 8.39 5.17 0.00 1.95 1.66 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 2.19 2.26 0.00 32 F 10.06 5.03 0.00 3.36 2.97 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 33 K 7.96 4.63 0.00 1.53 1.52 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.23 0.99 7.81 34 V 7.82 3.54 2.01 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 0.86 0.00 0.00 0.88 0.00 0.00 *40 K 8.23 4.01 0.00 1.80 1.64 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 41 C 7.74 4.36 0.00 2.97 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 42 E 8.25 4.52 0.00 1.89 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 2.16 2.26 0.00 43 H 8.08 5.27 0.00 3.12 3.28 0.00 5.74 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 Q 8.69 4.65 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.78 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 45 L 8.84 4.69 0.00 1.26 1.29 -0.11 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.64 5.11 1.22 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 0.00 0.00 47 L 8.59 4.60 0.00 1.58 1.62 1.00 0.76 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 48 R 9.27 4.64 0.00 1.63 1.90 0.00 3.28 0.00 0.00 3.21 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.67 0.00 49 T 7.69 5.12 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 1.19 0.00 0.00 50 V 8.63 4.94 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 1.06 0.00 0.00 0.90 0.00 0.00 51 C 8.92 5.23 0.00 3.02 2.97 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 52 L 8.26 4.75 0.00 1.51 1.50 0.81 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 53 G 8.29 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 0.00 0.00 0.00 0.00 54 D 8.91 4.57 0.00 2.80 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 55 K 7.84 4.40 0.00 1.72 1.84 0.00 1.65 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.46 7.81 56 A 7.57 4.41 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 7.70 4.17 0.00 1.93 1.73 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.37 7.81 58 D 8.18 4.76 0.00 2.64 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 59 E 7.63 4.55 0.00 1.96 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 2.17 2.22 0.00 60 F 8.49 4.40 0.00 3.00 3.09 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 0.00 61 H 9.39 5.60 0.00 3.12 3.24 0.00 5.77 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 62 I 8.47 5.17 1.92 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 1.46 1.63 0.95 0.00 0.00 63 V 8.84 4.94 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 1.08 0.00 0.00 1.10 0.00 0.00 64 E 9.69 5.26 0.00 2.03 2.09 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 2.39 2.30 0.00 65 I 8.92 4.65 1.87 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.87 0.78 0.00 0.00 66 V 8.15 4.46 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 0.96 0.00 0.00 0.92 0.00 0.00 67 D 8.23 5.27 0.00 2.75 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *73 E 8.66 4.01 0.00 2.04 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.88 0.00 74 K 7.78 4.40 0.00 1.67 1.76 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.40 1.02 7.81 75 S 8.25 4.63 0.00 3.76 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 76 V 9.01 4.42 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 0.86 0.00 0.00 0.94 0.00 0.00 77 P 0.00 4.95 0.00 2.13 2.07 0.00 3.77 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 78 I 9.10 4.67 1.93 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.82 1.02 0.00 0.00 79 A 7.96 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 80 T 8.62 5.04 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 1.31 0.00 0.00 81 L 9.11 5.07 0.00 1.51 1.65 0.91 0.81 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 82 K 8.64 4.63 0.00 1.40 1.40 0.00 0.61 0.00 0.00 0.84 0.00 0.00 2.74 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.14 1.04 7.81 83 P 0.00 4.18 0.00 2.02 2.07 0.00 3.73 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.02 0.00 84 S 7.99 4.44 0.00 3.97 4.04 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 85 I 7.57 4.21 1.91 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 1.21 1.01 0.99 0.00 0.00 86 L 8.07 4.27 0.00 1.70 1.55 0.94 1.25 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 87 P 0.00 4.57 0.00 2.24 2.22 0.00 3.78 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.93 0.00 88 M 7.45 4.87 0.00 1.98 2.12 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 89 A 8.88 4.75 1.22 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 0.00 0.00 90 T 8.43 4.95 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 1.25 0.00 0.00 91 M 8.66 4.59 0.00 1.92 1.99 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 2.57 2.61 0.00 92 V 8.21 4.22 2.09 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 0.82 0.00 0.00 0.93 0.00 0.00 93 G 9.10 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 I 7.47 4.12 1.91 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 1.37 0.82 0.97 0.00 0.00 95 E 8.67 5.17 0.00 1.82 1.98 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 2.20 2.30 0.00 96 L 8.94 4.87 0.00 1.52 1.51 1.05 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 97 D 8.65 4.90 0.00 2.57 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 98 P 0.00 4.56 0.00 2.08 2.14 0.00 3.72 0.00 0.00 3.86 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 99 P 0.00 4.86 0.00 1.90 1.94 0.00 3.60 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.06 0.00 100 V 9.06 4.51 1.66 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 0.71 0.00 0.00 0.98 0.00 0.00 101 T 7.70 5.03 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 1.22 0.00 0.00 102 F 9.55 5.24 0.00 3.26 3.10 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 0.00 0.00 0.00 0.00 103 R 9.18 5.11 0.00 1.87 1.76 0.00 3.12 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.82 0.00 104 L 9.20 4.96 0.00 1.83 1.63 0.97 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 105 K 8.68 4.15 0.00 1.98 1.88 0.00 1.83 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.45 1.50 7.81 106 A 8.02 4.62 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 0.00 107 G 9.17 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 0.00 108 S 8.19 4.47 0.00 3.95 4.15 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 0.00 109 G 8.11 4.01 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 0.00 0.00 0.00 110 P 0.00 4.37 0.00 1.56 2.00 0.00 3.46 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 2.05 2.03 0.00 111 L 8.59 4.71 0.00 1.51 1.34 0.92 0.72 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 0.00 112 Y 8.48 5.11 0.00 2.94 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 0.00 113 I 8.34 4.94 1.45 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.83 0.66 0.00 0.00 114 S 8.86 4.91 0.00 3.67 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 0.00 115 G 8.69 4.40 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 0.00 116 Q 8.54 5.11 0.00 1.95 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.95 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 117 H 8.11 4.94 0.00 2.84 3.26 0.00 5.83 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 V 8.48 4.55 2.06 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 0.75 0.00 0.00 0.92 0.00 0.00 119 A 8.44 4.19 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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.