NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 97 S 4.3680 8.3301 115.2937 58.4372 63.5968 172.8915 98 A 4.6142 8.2651 118.4046 50.8377 20.0236 177.2460 99 T 3.9011 8.1269 109.5122 64.8743 69.3452 175.0954 100 T 3.8313 7.9196 115.5335 64.6888 67.3190 175.6114 101 F 4.2396 8.2374 122.0619 61.5436 39.3044 176.9083 102 R 3.4342 7.7539 116.0504 59.2650 30.0087 178.8491 103 I 3.7791 7.7670 119.1846 64.5806 36.9867 178.6694 104 L 4.0443 7.9378 117.9899 56.6287 41.3903 178.4312 105 A 4.5357 7.3956 119.0431 50.9258 19.9232 175.9691 106 H 4.1300 7.3280 120.4978 57.1696 30.3881 174.8807 107 L 4.3070 7.9424 127.2141 52.4981 43.4280 176.3118 108 D 4.5160 8.4584 126.6632 53.8594 40.9921 175.9171 109 E 4.0976 8.6276 128.0505 59.2278 29.3884 179.2098 110 Q 4.0623 8.0211 117.2620 58.8828 28.9637 178.0957 111 R 3.9255 8.2174 118.7896 57.9215 31.4137 176.2839 112 Y 4.6537 7.8619 116.6688 55.4907 37.5284 173.3619 113 P 4.7715 0.0000 0.0000 60.8424 33.0707 176.8462 114 L 4.2027 8.1605 121.2504 54.2214 42.8933 173.2072 115 P 4.1209 0.0000 0.0000 64.6617 31.3086 176.1894 *120 E 4.1910 8.4631 120.7398 54.1049 32.1389 176.8533 121 K 3.7879 8.4842 117.6502 57.7471 29.9195 176.1144 122 N 4.8670 8.1887 111.5248 52.4383 39.7323 177.9672 123 L 4.6019 7.7984 121.5779 53.0077 42.5433 174.1161 124 P 4.3038 0.0000 0.0000 62.8300 31.4379 176.7128 125 S 4.4043 8.5162 115.6031 58.0227 64.1032 175.1510 126 L 4.1382 8.5858 121.8036 58.0107 41.3700 179.4603 127 F 4.3482 8.3903 120.1699 61.3639 39.3941 176.7063 128 E 3.9533 8.4724 118.4151 59.5330 29.3228 179.7093 129 G 3.6092 7.6934 105.6099 47.3526 0.0000 175.5148 130 F 4.1146 8.0008 122.7962 61.3539 39.5191 177.5063 131 K 3.6614 7.8341 117.7294 59.1380 31.7334 179.3373 132 A 3.9258 7.7337 120.7560 55.3802 18.2899 179.8890 133 T 3.7544 7.8213 114.3255 66.6444 68.2645 177.2766 134 V 3.3587 7.3420 119.5707 65.5875 31.5681 177.7474 135 S 4.1637 7.7260 112.8091 61.4129 62.2157 176.3394 136 I 3.7476 7.7045 115.6096 63.8645 37.0815 178.1206 137 I 3.6965 7.6178 121.0198 64.3298 36.9077 178.0049 138 Q 4.1001 7.6597 118.1652 59.0546 28.4785 177.1675 139 Q 4.0822 8.1222 118.2566 55.2509 29.8073 175.8678 140 R 4.0373 7.9774 121.9920 56.8875 30.8907 176.2986 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 97 S 8.33 4.37 0.00 3.86 3.91 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 0.00 0.00 0.00 98 A 8.27 4.61 1.40 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 99 T 8.13 3.90 4.25 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 1.23 0.00 0.00 100 T 7.92 3.83 4.27 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 1.25 0.00 0.00 101 F 8.24 4.24 0.00 3.12 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 0.00 102 R 7.75 3.43 0.00 1.95 1.89 0.00 3.24 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.93 0.00 103 I 7.77 3.78 1.98 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 1.48 0.92 0.89 0.00 0.00 104 L 7.94 4.04 0.00 1.62 1.73 0.96 0.68 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 0.00 105 A 7.40 4.54 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 H 7.33 4.13 0.00 3.17 3.28 0.00 5.72 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 0.00 107 L 7.94 4.31 0.00 1.49 1.46 0.84 1.24 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 0.00 108 D 8.46 4.52 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 0.00 109 E 8.63 4.10 0.00 2.06 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 2.41 2.62 0.00 110 Q 8.02 4.06 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 7.08 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 111 R 8.22 3.93 0.00 1.69 2.02 0.00 3.05 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.19 0.00 112 Y 7.86 4.65 0.00 2.91 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 0.00 113 P 0.00 4.77 0.00 2.18 2.05 0.00 3.37 0.00 0.00 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.89 0.00 114 L 8.16 4.20 0.00 1.62 1.61 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 115 P 0.00 4.12 0.00 2.22 1.94 0.00 3.86 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 1.97 1.99 0.00 *120 E 8.46 4.19 0.00 2.09 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 2.35 0.00 121 K 8.48 3.79 0.00 1.87 1.87 0.00 1.76 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.36 1.36 7.81 122 N 8.19 4.87 0.00 2.72 2.60 0.00 0.00 6.65 7.64 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 0.00 123 L 7.80 4.60 0.00 1.55 1.61 0.93 1.04 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 0.00 124 P 0.00 4.30 0.00 2.23 2.08 0.00 3.87 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 125 S 8.52 4.40 0.00 4.11 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 L 8.59 4.14 0.00 1.78 1.83 0.94 0.95 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 0.00 127 F 8.39 4.35 0.00 3.10 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 0.00 128 E 8.47 3.95 0.00 2.29 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 2.34 2.39 0.00 129 G 7.69 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 0.00 130 F 8.00 4.11 0.00 3.17 3.08 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 0.00 0.00 0.00 131 K 7.83 3.66 0.00 1.67 1.65 0.00 1.75 0.00 0.00 1.57 0.00 0.00 2.95 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.72 0.93 7.81 132 A 7.73 3.93 1.31 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 0.00 133 T 7.82 3.75 4.25 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 1.11 0.00 0.00 134 V 7.34 3.36 1.57 0.00 0.00 0.00 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 0.05 0.00 0.00 135 S 7.73 4.16 0.00 3.87 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 0.00 136 I 7.70 3.75 1.83 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.58 0.88 0.00 0.00 137 I 7.62 3.70 1.94 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.66 0.87 0.00 0.00 138 Q 7.66 4.10 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.92 0.00 0.00 0.00 0.00 0.00 2.67 2.51 0.00 139 Q 8.12 4.08 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.07 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 140 R 7.98 4.04 0.00 1.84 1.84 0.00 3.17 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.72 0.00 * Residues marked with a * may have inaccurate shift predictions.