NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3542 8.3049 120.3421 54.9398 33.1433 176.2224 2 I 3.8715 8.5828 114.0167 58.9168 39.0070 173.6499 3 K 4.3414 9.0608 127.8574 53.5809 33.6116 173.4135 4 P 4.3582 0.0000 0.0000 62.6025 31.8157 176.1308 5 L 4.6435 8.3018 120.8175 54.1400 44.7049 177.2039 6 G 3.8446 8.0544 110.0291 47.4381 0.0000 174.1004 7 D 4.9978 8.4607 118.8078 55.0098 41.4973 174.7417 8 R 5.3156 7.6098 114.6745 54.3073 34.5191 175.5129 9 V 4.7827 8.7735 112.4239 59.9289 36.8391 174.6487 10 V 4.6597 9.1730 123.9436 61.3760 33.4784 174.8726 11 V 4.9697 8.7921 121.3441 59.4130 35.5552 174.5136 12 K 4.7843 8.9778 125.8377 54.9394 33.4319 176.2429 13 R 4.7212 8.7849 127.7958 56.7638 31.2765 175.3274 14 I 4.6772 8.0511 122.0482 59.3452 40.2412 175.6094 15 E 4.1109 8.8521 126.8636 55.7012 30.1432 176.5382 16 E 4.1463 8.4256 123.7528 55.7022 30.5131 175.9435 17 E 4.1811 8.3760 122.4278 55.4175 30.1985 175.3669 18 P 4.4646 0.0000 0.0000 62.6107 32.3970 175.8619 19 K 4.6571 8.5945 122.7499 55.3961 34.2877 175.5691 20 T 4.7691 8.3714 113.4225 59.4208 71.3243 173.6864 21 K 4.4692 9.0035 127.0807 55.9537 32.9540 175.3468 22 G 3.9153 8.3391 109.4632 45.2792 0.0000 175.5648 23 G 3.5332 8.2014 109.0361 45.4136 0.0000 175.5743 24 I 4.7257 8.7042 110.5784 60.6602 41.0960 172.8479 25 V 3.8152 7.3938 122.6995 61.5569 31.5364 175.5905 *34 P 4.1097 0.0000 0.0000 62.0983 32.1821 174.7352 35 Q 4.4534 8.2324 121.6400 53.8580 32.4867 174.6619 36 K 5.0152 7.9302 119.7347 55.1037 35.7316 175.3180 37 G 4.5546 8.6336 107.3332 45.5706 0.0000 171.8346 38 K 5.0104 9.0583 123.3411 54.4086 34.2278 175.6613 39 V 4.1755 8.9039 129.1056 63.0838 31.9110 176.0416 40 I 4.4472 8.9122 120.9309 61.0338 39.3973 175.5489 41 A 4.7544 7.4645 122.5538 51.1153 22.2512 175.4887 42 V 4.6771 8.3016 113.9148 59.5071 35.5200 176.6537 43 G 4.0490 9.1796 112.3603 46.1431 0.0000 173.0773 44 T 4.2238 8.5958 108.7008 62.1674 69.6392 175.4074 45 G 4.3104 8.3475 108.0135 45.6097 0.0000 172.8830 46 R 4.2182 8.1802 118.2026 56.1172 31.4165 175.0121 47 V 4.7888 8.2439 122.6742 61.2133 34.1274 174.7091 48 L 4.7836 9.1080 126.6785 52.8286 44.0260 177.5824 49 E 4.1964 8.9676 120.2624 59.1093 29.4811 177.8670 50 N 4.6381 8.1445 114.2811 52.5147 37.7547 175.1294 51 G 4.0715 8.4854 108.9678 45.6525 0.0000 174.6067 52 Q 4.1314 8.0063 118.3509 56.0867 30.0190 175.6472 53 R 4.8267 8.4251 123.1097 54.6043 32.1329 175.2479 54 V 4.0258 8.6074 127.9107 61.4212 32.5036 173.7877 55 P 4.6751 0.0000 0.0000 62.3676 32.0301 176.5128 56 L 4.4721 8.3435 122.2692 55.0023 42.1338 177.0234 57 E 4.2528 10.0683 123.1244 56.7788 29.7989 176.3499 58 V 4.5558 7.4390 109.8787 60.0082 35.0146 173.9669 59 K 4.7197 8.4650 119.1395 54.6202 35.7545 175.4596 60 E 4.1374 8.4975 118.7133 57.8897 29.9161 175.9468 61 G 4.3209 9.9344 115.0437 46.1008 0.0000 173.9758 62 D 4.4820 7.4113 119.2953 54.3364 42.4319 176.1407 63 I 4.9058 8.3900 122.0384 59.9077 39.6066 175.0972 64 V 5.0077 8.8517 119.8114 59.5489 35.7501 174.5542 65 V 4.8982 8.8327 123.3091 61.3372 33.7067 174.6214 66 F 5.4414 8.4362 121.0335 54.7087 42.1104 173.4143 67 A 4.2063 8.3082 121.2854 52.5727 19.1450 177.3614 68 K 4.0188 8.4605 123.0092 57.5881 32.8528 177.0305 69 Y 4.1625 8.7638 121.5539 58.3118 36.2928 170.0286 70 G 3.7599 7.8209 108.3186 46.1320 0.0000 174.2998 71 G 3.8751 8.8189 107.3287 44.9951 0.0000 172.3539 72 T 4.6315 8.3026 114.6317 61.5450 70.9384 174.0460 73 E 4.7312 8.8354 126.4760 56.0696 30.8431 176.1502 74 I 4.5343 8.6873 124.0743 59.3978 41.2406 173.4668 75 E 4.7780 8.9207 130.7209 55.6748 30.9286 176.2615 76 I 4.2483 9.2594 128.1968 61.4145 40.3207 174.5992 77 D 4.2629 9.1850 128.0547 55.4042 37.1068 176.2702 78 G 3.9610 8.0745 104.2467 46.0197 0.0000 173.1206 79 E 4.3813 7.7012 119.9879 54.8078 31.0164 174.7386 80 E 4.9746 8.0041 121.6981 55.1632 32.1245 174.5272 81 Y 5.0490 8.5414 118.9010 56.7139 43.5814 173.9674 82 V 4.8834 8.9930 120.0533 61.3557 34.9283 174.0767 83 I 4.7297 8.8071 129.1629 60.0074 38.6994 174.8060 84 L 5.0087 8.6719 126.5670 52.7829 45.9772 176.1233 85 S 4.8257 8.3799 115.4034 57.0392 63.8181 174.6339 86 E 3.9553 9.0487 127.3926 59.2797 29.4785 179.4764 87 R 3.9290 7.9741 113.6288 58.8933 29.1555 176.8715 88 D 4.5105 8.1804 117.2878 54.7778 41.1988 175.7156 89 L 4.8166 7.8392 120.8345 53.3830 41.5239 176.4971 90 L 4.2743 8.6757 124.8489 57.4099 42.0964 177.2894 91 A 4.4842 7.7118 117.5203 51.4102 22.7291 174.5643 92 V 4.7181 8.3510 118.9110 61.4147 33.4464 174.8654 93 L 4.7763 8.9263 128.3387 53.0820 42.9536 176.7201 94 Q 4.0791 8.4051 121.3115 56.5171 28.4406 174.3701 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 8.30 4.35 0.00 1.92 1.85 0.00 0.00 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.49 0.00 2 I 8.58 3.87 1.67 0.00 0.00 0.47 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 0.60 0.80 0.00 0.00 3 K 9.06 4.34 0.00 1.64 1.68 0.00 1.76 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.28 1.39 7.81 4 P 0.00 4.36 0.00 2.23 1.93 0.00 3.67 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.04 0.00 5 L 8.30 4.64 0.00 1.68 1.54 0.91 1.11 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 6 G 8.05 3.84 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 0.00 0.00 0.00 7 D 8.46 5.00 0.00 2.87 2.61 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 8 R 7.61 5.32 0.00 1.72 1.77 0.00 3.10 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.54 0.00 9 V 8.77 4.78 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 0.64 0.00 0.00 0.93 0.00 0.00 10 V 9.17 4.66 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 0.77 0.00 0.00 0.83 0.00 0.00 11 V 8.79 4.97 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 0.61 0.00 0.00 0.82 0.00 0.00 12 K 8.98 4.78 0.00 2.04 1.78 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.76 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.34 7.81 13 R 8.78 4.72 0.00 2.00 1.89 0.00 3.29 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.85 0.00 14 I 8.05 4.68 1.88 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 1.26 0.84 0.91 0.00 0.00 15 E 8.85 4.11 0.00 1.95 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 2.30 2.29 0.00 16 E 8.43 4.15 0.00 1.85 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 2.25 2.36 0.00 17 E 8.38 4.18 0.00 1.98 1.86 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 2.30 2.26 0.00 18 P 0.00 4.46 0.00 1.93 1.97 0.00 3.65 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 19 K 8.59 4.66 0.00 1.69 1.70 0.00 1.59 0.00 0.00 1.86 0.00 0.00 2.85 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.41 7.81 20 T 8.37 4.77 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 1.28 0.00 0.00 21 K 9.00 4.47 0.00 1.69 1.77 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.30 1.38 7.81 22 G 8.34 3.92 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 0.00 0.00 0.00 23 G 8.20 3.53 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 0.00 0.00 0.00 24 I 8.70 4.73 1.87 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 1.28 1.84 0.91 0.00 0.00 25 V 7.39 3.82 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 0.84 0.00 0.00 0.92 0.00 0.00 *34 P 0.00 4.11 0.00 1.88 1.90 0.00 3.57 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.04 0.00 35 Q 8.23 4.45 0.00 0.93 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.72 0.00 0.00 0.00 0.00 0.00 1.91 2.18 0.00 36 K 7.93 5.02 0.00 1.62 1.65 0.00 1.73 0.00 0.00 1.79 0.00 0.00 2.82 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.29 7.81 37 G 8.63 4.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 9.06 5.01 0.00 1.84 1.74 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.58 7.81 39 V 8.90 4.18 2.24 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 0.91 0.00 0.00 0.95 0.00 0.00 40 I 8.91 4.45 1.85 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.69 1.02 0.00 0.00 41 A 7.46 4.75 1.14 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 42 V 8.30 4.68 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 0.72 0.00 0.00 0.92 0.00 0.00 43 G 9.18 4.05 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 0.00 44 T 8.60 4.22 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 1.20 0.00 0.00 45 G 8.35 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 0.00 0.00 0.00 0.00 46 R 8.18 4.22 0.00 2.01 1.80 0.00 3.13 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.62 0.00 47 V 8.24 4.79 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 0.95 0.00 0.00 0.93 0.00 0.00 48 L 9.11 4.78 0.00 1.80 1.54 0.92 0.36 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 49 E 8.97 4.20 0.00 1.95 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 2.32 2.26 0.00 50 N 8.14 4.64 0.00 2.82 2.91 0.00 0.00 6.28 7.00 0.00 0.00 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 8.49 4.07 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 0.00 0.00 0.00 52 Q 8.01 4.13 0.00 2.24 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.71 0.00 0.00 0.00 0.00 0.00 2.38 2.31 0.00 53 R 8.43 4.83 0.00 1.79 1.81 0.00 3.22 0.00 0.00 3.21 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 54 V 8.61 4.03 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 0.88 0.00 0.00 0.93 0.00 0.00 55 P 0.00 4.68 0.00 1.97 1.97 0.00 3.73 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.12 0.00 56 L 8.34 4.47 0.00 1.63 1.59 0.97 0.94 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 57 E 10.07 4.25 0.00 1.91 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 2.28 0.00 58 V 7.44 4.56 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 0.85 0.00 0.00 0.93 0.00 0.00 59 K 8.46 4.72 0.00 1.91 1.87 0.00 1.32 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.59 1.40 7.81 60 E 8.50 4.14 0.00 1.98 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 0.00 2.31 2.30 0.00 61 G 9.93 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 0.00 0.00 0.00 0.00 62 D 7.41 4.48 0.00 2.79 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 63 I 8.39 4.91 2.05 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 1.36 1.13 0.93 0.00 0.00 64 V 8.85 5.01 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 0.88 0.00 0.00 1.11 0.00 0.00 65 V 8.83 4.90 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 0.94 0.00 0.00 0.91 0.00 0.00 66 F 8.44 5.44 0.00 3.22 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 67 A 8.31 4.21 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 68 K 8.46 4.02 0.00 1.56 1.35 0.00 1.51 0.00 0.00 0.99 0.00 0.00 2.78 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.31 1.07 7.81 69 Y 8.76 4.16 0.00 3.24 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 70 G 7.82 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.82 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.30 4.63 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 1.22 0.00 0.00 73 E 8.84 4.73 0.00 1.88 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 2.36 2.29 0.00 74 I 8.69 4.53 1.91 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 1.16 1.45 1.06 0.00 0.00 75 E 8.92 4.78 0.00 2.02 1.83 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 2.26 2.49 0.00 76 I 9.26 4.25 2.15 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 1.36 0.66 1.00 0.00 0.00 77 D 9.19 4.26 0.00 2.94 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 78 G 8.07 3.96 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 0.00 0.00 0.00 79 E 7.70 4.38 0.00 2.13 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 2.48 2.45 0.00 80 E 8.00 4.97 0.00 1.70 1.77 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 2.17 2.24 0.00 81 Y 8.54 5.05 0.00 2.95 2.74 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 0.00 0.00 0.00 0.00 82 V 8.99 4.88 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 0.85 0.00 0.00 0.99 0.00 0.00 83 I 8.81 4.73 1.85 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 1.19 0.48 0.88 0.00 0.00 84 L 8.67 5.01 0.00 1.37 1.36 -0.14 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 85 S 8.38 4.83 0.00 3.83 3.70 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.05 3.96 0.00 2.03 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 2.31 2.26 0.00 87 R 7.97 3.93 0.00 1.97 2.07 0.00 3.09 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 88 D 8.18 4.51 0.00 3.02 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.84 4.82 0.00 1.73 1.69 0.93 1.02 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 90 L 8.68 4.27 0.00 1.71 1.74 0.96 0.81 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 91 A 7.71 4.48 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 92 V 8.35 4.72 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 0.85 0.00 0.00 0.95 0.00 0.00 93 L 8.93 4.78 0.00 1.52 1.59 0.91 0.98 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 94 Q 8.41 4.08 0.00 2.10 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 6.65 0.00 0.00 0.00 0.00 0.00 2.23 2.35 0.00 * Residues marked with a * may have inaccurate shift predictions.