#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2di9 s SER 2 N 0.00 1.15 -0.12 1.61 0.01 -1.26 -5.07 113.70 110.03 2di9 s SER 2 Ca 0.00 -0.72 -0.28 0.00 1.31 0.00 0.00 55.95 56.25 2di9 s SER 2 Cb 0.00 0.03 -0.25 0.00 0.21 0.00 0.00 66.02 66.01 2di9 s SER 2 CO 0.00 -0.26 0.85 -1.28 0.41 0.00 0.00 173.24 172.95 2di9 h SER 3 N 3.90 0.03 -2.67 2.44 0.87 -2.15 -3.50 113.55 112.47 2di9 h SER 3 Ca -0.37 -0.93 0.00 0.00 -1.23 0.00 0.00 61.79 59.27 2di9 h SER 3 Cb 1.19 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 2di9 h SER 3 CO 0.49 0.96 0.00 0.61 -0.53 0.00 0.00 176.83 178.36 2di9 n GLY 4 N 1.43 -0.40 2.83 5.77 0.00 -1.26 -5.10 105.19 108.46 2di9 n GLY 4 Ca -0.10 -0.20 -0.18 0.00 0.00 0.00 0.00 46.02 45.53 2di9 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2di9 s SER 5 N -1.32 0.70 -0.08 1.61 1.04 -1.26 -5.14 113.70 109.25 2di9 s SER 5 Ca 0.00 -0.06 -0.32 0.00 0.48 0.00 0.00 55.95 56.06 2di9 s SER 5 Cb 0.00 -0.30 0.12 0.00 0.10 0.00 0.00 66.02 65.94 2di9 s SER 5 CO 0.00 -0.10 1.08 -0.94 0.98 0.00 0.00 173.24 174.26 2di9 s SER 6 N 1.11 -0.22 -0.29 7.02 1.04 -1.26 -5.19 113.70 115.92 2di9 s SER 6 Ca -0.08 -0.04 -0.28 0.00 0.48 0.00 0.00 55.95 56.02 2di9 s SER 6 Cb -0.14 0.26 0.19 0.00 0.10 0.00 0.00 66.02 66.44 2di9 s SER 6 CO -0.02 -0.44 1.37 -0.83 0.98 0.00 0.00 173.24 174.31 2di9 s GLY 7 N -2.43 0.16 -0.28 7.32 0.00 -1.26 -5.17 107.32 105.66 2di9 s GLY 7 Ca 0.08 3.02 -0.20 0.00 0.00 0.00 0.00 44.72 47.62 2di9 s GLY 7 CO -0.06 1.36 0.92 0.51 0.00 0.00 0.00 173.10 175.84 2di9 s ASP 8 N -0.70 -0.58 -0.03 1.64 -4.77 -1.26 -5.17 116.67 105.80 2di9 s ASP 8 Ca 0.08 1.02 0.01 0.00 -3.30 0.00 0.00 52.55 50.36 2di9 s ASP 8 Cb -0.02 1.14 0.01 0.00 -1.09 0.00 0.00 42.92 42.96 2di9 s ASP 8 CO -0.10 -0.17 -0.05 0.54 0.70 0.00 0.00 175.17 176.09 2di9 s VAL 9 N 0.87 0.50 -0.06 2.11 0.11 -1.26 -5.15 120.40 117.53 2di9 s VAL 9 Ca -0.04 -0.16 -0.21 0.00 -2.93 0.00 0.00 61.98 58.64 2di9 s VAL 9 Cb -0.05 -0.49 0.04 0.00 -1.53 0.00 0.00 36.38 34.35 2di9 s VAL 9 CO -0.11 0.19 0.47 0.28 -3.33 0.00 0.00 175.10 172.61 2di9 s THR 10 N 0.54 0.03 0.09 5.04 -1.32 -1.26 -5.18 115.64 113.58 2di9 s THR 10 Ca -0.07 -0.22 -0.27 0.00 -1.21 0.00 0.00 61.69 59.92 2di9 s THR 10 Cb -0.10 -0.77 0.08 0.00 -1.51 0.00 0.00 72.50 70.20 2di9 s THR 10 CO -0.00 -0.12 1.01 -0.47 -2.21 0.00 0.00 174.62 172.83 2di9 s TYR 11 N -1.00 -0.15 -0.11 9.09 5.04 -1.26 -5.16 117.35 123.80 2di9 s TYR 11 Ca -0.10 -0.08 -0.01 0.00 -2.44 0.00 0.00 57.07 54.43 2di9 s TYR 11 Cb -0.03 0.60 0.03 0.00 0.35 0.00 0.00 41.96 42.92 2di9 s TYR 11 CO 0.06 -0.67 -0.02 0.16 -1.34 0.00 0.00 175.55 173.73 2di9 s ASP 12 N -2.85 2.05 -0.28 4.32 -4.77 -1.26 -5.12 116.67 108.76 2di9 s ASP 12 Ca 0.11 -0.30 -0.09 0.00 -3.30 0.00 0.00 52.55 48.98 2di9 s ASP 12 Cb -0.00 -0.62 -0.02 0.00 -1.09 0.00 0.00 42.92 41.19 2di9 s ASP 12 CO -0.01 -0.19 0.12 -0.83 0.70 0.00 0.00 175.17 174.97 2di9 s GLY 13 N 1.85 1.83 -0.02 2.12 0.00 -1.26 -5.07 107.32 106.77 2di9 s GLY 13 Ca 0.04 -1.26 0.00 0.00 0.00 0.00 0.00 44.72 43.49 2di9 s GLY 13 CO -0.07 0.63 0.03 -1.58 0.00 0.00 0.00 173.10 172.11 2di9 s HIS 14 N 1.63 0.05 0.05 1.90 5.04 -1.26 -5.13 115.29 117.56 2di9 s HIS 14 Ca 0.05 0.11 -0.31 0.00 -1.54 0.00 0.00 55.06 53.38 2di9 s HIS 14 Cb -0.16 -0.23 -0.07 0.00 0.04 0.00 0.00 32.58 32.16 2di9 s HIS 14 CO 0.06 -0.08 1.40 -1.25 -2.34 0.00 0.00 174.74 172.53 2di9 s PRO 15 N 0.98 4.30 -0.01 2.88 0.04 -1.26 -5.02 135.00 136.90 2di9 s PRO 15 Ca -0.08 2.02 -0.06 0.00 0.04 0.00 0.00 61.00 62.92 2di9 s PRO 15 Cb -0.12 -3.44 -0.04 0.00 0.04 0.00 0.00 34.50 30.93 2di9 s PRO 15 CO -0.03 -0.52 0.23 0.14 0.04 0.00 0.00 177.00 176.87 2di9 s VAL 16 N 1.86 5.35 1.04 -0.36 -7.23 -1.26 -5.10 120.40 114.70 2di9 s VAL 16 Ca 0.65 0.12 -0.17 0.00 -1.81 0.00 0.00 61.98 60.76 2di9 s VAL 16 Cb -0.34 -3.54 0.26 0.00 0.56 0.00 0.00 36.38 33.32 2di9 s VAL 16 CO 0.28 0.40 0.92 -0.81 -0.31 0.00 0.00 175.10 175.58 2di9 n PRO 17 N 1.22 -2.82 -1.63 4.82 -0.04 -1.26 -4.84 135.00 130.45 2di9 n PRO 17 Ca -0.12 -1.47 -0.31 0.00 -0.04 0.00 0.00 63.50 61.56 2di9 n PRO 17 Cb 0.53 -1.38 -0.04 0.00 -0.04 0.00 0.00 33.50 32.57 2di9 n PRO 17 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2di9 s GLY 18 N -4.15 -0.44 -0.02 0.55 0.00 -1.26 -4.82 107.32 97.18 2di9 s GLY 18 Ca 0.60 -0.30 -0.19 0.00 0.00 0.00 0.00 44.72 44.83 2di9 s GLY 18 CO 0.46 4.06 0.81 1.76 0.00 0.00 0.00 173.10 180.19 2di9 h SER 19 N 17.26 -0.59 0.00 1.64 0.02 -1.95 -3.16 113.55 126.76 2di9 h SER 19 Ca -0.18 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.80 2di9 h SER 19 Cb 1.19 0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.88 2di9 h SER 19 CO 1.13 -0.19 0.00 -0.81 -1.14 0.00 0.00 176.83 175.83 2di9 n PRO 20 N -5.21 0.49 -2.08 3.45 -0.04 -1.26 -2.93 135.00 127.43 2di9 n PRO 20 Ca -0.09 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.11 2di9 n PRO 20 Cb 0.28 -1.42 0.02 0.00 -0.04 0.00 0.00 33.50 32.34 2di9 n PRO 20 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 2di9 n TYR 21 N -0.92 2.99 -3.61 0.54 4.19 -1.19 -5.00 117.16 114.17 2di9 n TYR 21 Ca 0.10 -2.55 -0.13 0.00 3.31 0.00 0.00 57.90 58.62 2di9 n TYR 21 Cb 0.04 -0.42 -0.07 0.00 0.49 0.00 0.00 39.34 39.39 2di9 n TYR 21 CO 0.00 0.00 0.00 0.99 0.91 0.00 0.00 176.86 178.76 2di9 s THR 22 N -4.91 0.00 -0.01 2.97 2.01 -1.15 -4.90 115.64 109.65 2di9 s THR 22 Ca 0.52 0.00 -0.30 0.00 0.31 0.00 0.00 61.69 62.21 2di9 s THR 22 Cb 0.42 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.89 2di9 s THR 22 CO -0.05 0.00 1.14 -0.69 -0.69 0.00 0.00 174.62 174.33 2di9 s VAL 23 N 0.04 4.35 -0.47 3.82 1.01 -1.26 -4.93 120.40 122.96 2di9 s VAL 23 Ca -0.01 1.67 0.03 0.00 0.00 0.00 0.00 61.98 63.68 2di9 s VAL 23 Cb -0.04 -4.07 0.53 0.00 0.00 0.00 0.00 36.38 32.79 2di9 s VAL 23 CO 0.01 0.06 1.76 -0.62 0.00 0.00 0.00 175.10 176.31 2di9 n GLU 24 N 4.54 2.49 -1.13 2.72 1.02 -1.26 -4.55 120.64 124.48 2di9 n GLU 24 Ca 0.09 -3.31 -0.17 0.00 -0.02 0.00 0.00 57.16 53.76 2di9 n GLU 24 Cb 0.47 -2.15 0.16 0.00 -0.02 0.00 0.00 31.44 29.90 2di9 n GLU 24 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2di9 n ALA 25 N -1.01 5.09 -2.56 0.62 0.00 -1.26 -4.59 120.51 116.82 2di9 n ALA 25 Ca 0.53 -3.19 -0.17 0.00 0.00 0.00 0.00 53.44 50.61 2di9 n ALA 25 Cb 1.09 -1.07 0.02 0.00 0.00 0.00 0.00 19.45 19.48 2di9 n ALA 25 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2di9 n SER 26 N -1.07 3.10 -4.65 0.00 7.64 -1.26 -5.01 113.62 112.38 2di9 n SER 26 Ca 0.47 -3.19 -0.33 0.00 1.01 0.00 0.00 58.87 56.84 2di9 n SER 26 Cb 1.17 -0.49 -0.10 0.00 -1.01 0.00 0.00 64.21 63.79 2di9 n SER 26 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2di9 s LEU 27 N -3.37 3.40 0.67 -3.43 1.43 -1.26 -5.08 118.68 111.04 2di9 s LEU 27 Ca 0.38 -0.03 -0.14 0.00 -1.03 0.00 0.00 54.13 53.30 2di9 s LEU 27 Cb 0.42 -1.91 0.01 0.00 0.03 0.00 0.00 46.19 44.74 2di9 s LEU 27 CO -0.07 0.30 1.11 -2.16 0.23 0.00 0.00 176.35 175.76 2di9 s PRO 28 N -1.38 2.74 -0.45 1.29 0.04 -1.26 -2.52 135.00 133.45 2di9 s PRO 28 Ca 0.18 1.36 -0.28 0.00 0.04 0.00 0.00 61.00 62.30 2di9 s PRO 28 Cb -0.11 -1.94 -0.02 0.00 0.04 0.00 0.00 34.50 32.47 2di9 s PRO 28 CO 0.08 -1.29 1.77 -1.25 0.04 0.00 0.00 177.00 176.34 2di9 s PRO 29 N -4.19 3.09 -0.79 0.56 0.04 -1.26 -3.82 135.00 128.62 2di9 s PRO 29 Ca 0.66 1.03 -0.08 0.00 0.04 0.00 0.00 61.00 62.65 2di9 s PRO 29 Cb -0.20 -4.25 0.20 0.00 0.04 0.00 0.00 34.50 30.29 2di9 s PRO 29 CO 0.43 -2.17 0.68 -0.51 0.04 0.00 0.00 177.00 175.48 2di9 s ASP 30 N 6.58 6.13 0.18 6.66 1.01 -0.68 -4.88 116.67 131.66 2di9 s ASP 30 Ca 0.72 -3.00 0.21 0.00 0.71 0.00 0.00 52.55 51.18 2di9 s ASP 30 Cb -0.17 -2.03 0.86 0.00 1.01 0.00 0.00 42.92 42.59 2di9 s ASP 30 CO 0.28 -0.41 1.63 -0.81 0.21 0.00 0.00 175.17 176.07 2di9 n PRO 31 N 3.41 0.13 0.11 8.23 -0.04 -1.26 -2.38 135.00 143.21 2di9 n PRO 31 Ca 0.14 0.37 0.12 0.00 -0.04 0.00 0.00 63.50 64.09 2di9 n PRO 31 Cb 0.41 -1.76 0.46 0.00 -0.04 0.00 0.00 33.50 32.58 2di9 n PRO 31 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2di9 n SER 32 N -2.01 0.65 -0.07 3.54 7.64 -1.26 -2.95 113.62 119.16 2di9 n SER 32 Ca 0.02 0.63 -0.14 0.00 1.01 0.00 0.00 58.87 60.40 2di9 n SER 32 Cb 0.21 -0.78 -0.14 0.00 -1.01 0.00 0.00 64.21 62.49 2di9 n SER 32 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2di9 n LYS 33 N -2.18 0.68 -1.42 1.43 4.76 -1.00 -4.91 118.16 115.52 2di9 n LYS 33 Ca 0.03 0.14 -0.56 0.00 -2.87 0.00 0.00 58.31 55.05 2di9 n LYS 33 Cb 0.28 -1.61 -0.09 0.00 -1.84 0.00 0.00 35.03 31.76 2di9 n LYS 33 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 2di9 n VAL 34 N -3.07 0.12 -3.87 -0.18 0.31 -1.15 -4.91 118.33 105.58 2di9 n VAL 34 Ca -0.33 -0.12 -0.36 0.00 -0.01 0.00 0.00 64.34 63.52 2di9 n VAL 34 Cb 1.07 -1.09 -0.12 0.00 -0.91 0.00 0.00 33.84 32.78 2di9 n VAL 34 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2di9 s LYS 35 N 5.65 3.66 -0.36 5.55 1.02 -1.13 -4.83 119.74 129.30 2di9 s LYS 35 Ca 1.12 -0.49 -0.02 0.00 0.02 0.00 0.00 55.97 56.60 2di9 s LYS 35 Cb -1.16 -3.23 0.08 0.00 -0.52 0.00 0.00 37.83 33.00 2di9 s LYS 35 CO 0.59 -0.10 0.11 0.00 -0.92 0.00 0.00 175.35 175.03 2di9 s ALA 36 N 1.34 3.00 -0.02 5.17 0.00 -1.26 -0.93 121.76 129.05 2di9 s ALA 36 Ca 0.05 -2.18 0.03 0.00 0.00 0.00 0.00 51.96 49.86 2di9 s ALA 36 Cb -0.15 -2.19 -0.00 0.00 0.00 0.00 0.00 23.12 20.78 2di9 s ALA 36 CO 0.03 -1.55 -0.11 -3.38 0.00 0.00 0.00 175.76 170.74 2di9 s HIS 37 N 1.19 1.08 0.00 0.00 -3.43 -0.12 -4.99 115.29 109.02 2di9 s HIS 37 Ca 0.02 -0.26 0.00 0.00 -0.80 0.00 0.00 55.06 54.02 2di9 s HIS 37 Cb -0.21 -0.75 0.00 0.00 -1.43 0.00 0.00 32.58 30.19 2di9 s HIS 37 CO -0.03 -0.09 0.00 0.41 -2.00 0.00 0.00 174.74 173.03 2di9 n GLY 38 N 3.16 -0.17 0.09 -1.38 0.00 -1.26 0.02 105.19 105.66 2di9 n GLY 38 Ca -0.17 -1.26 -0.13 0.00 0.00 0.00 0.00 46.02 44.46 2di9 n GLY 38 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2di9 h PRO 39 N 0.00 0.17 -1.02 1.61 0.13 -1.89 -3.12 132.00 127.88 2di9 h PRO 39 Ca 0.00 -0.09 0.30 0.00 -0.87 0.00 0.00 66.00 65.33 2di9 h PRO 39 Cb 0.00 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.09 2di9 h PRO 39 CO 0.00 0.61 0.95 0.78 -0.23 0.00 0.00 178.00 180.11 2di9 h GLY 40 N -0.26 0.00 0.23 1.56 0.00 -0.69 0.27 103.07 104.18 2di9 h GLY 40 Ca 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.34 2di9 h GLY 40 CO 0.02 0.00 -0.01 1.41 0.00 0.00 0.00 176.54 177.96 2di9 h LEU 41 N 0.00 0.01 -0.70 3.11 3.38 -1.78 -3.32 115.31 116.01 2di9 h LEU 41 Ca 0.48 -0.78 -0.11 0.00 0.09 0.00 0.00 57.88 57.57 2di9 h LEU 41 Cb 2.37 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 43.10 2di9 h LEU 41 CO -0.01 0.79 -0.14 -0.33 0.09 0.00 0.00 178.44 178.85 2di9 h GLU 42 N -0.77 0.86 0.00 1.13 4.39 -0.69 -3.19 114.58 116.32 2di9 h GLU 42 Ca -0.00 -0.31 0.00 0.00 0.34 0.00 0.00 59.36 59.39 2di9 h GLU 42 Cb 0.79 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.38 2di9 h GLU 42 CO 0.00 0.95 0.00 0.41 -1.16 0.00 0.00 179.01 179.21 2di9 n GLY 43 N -0.33 -0.03 0.00 -3.84 0.00 0.57 -1.79 105.19 99.77 2di9 n GLY 43 Ca 0.01 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.49 2di9 n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2di9 n GLY 44 N 0.00 1.17 3.12 -0.02 0.00 -1.23 -3.98 105.19 104.25 2di9 n GLY 44 Ca 0.00 0.27 -0.08 0.00 0.00 0.00 0.00 46.02 46.21 2di9 n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2di9 s LEU 45 N 0.00 2.36 0.56 0.99 1.43 -1.26 -2.39 118.68 120.37 2di9 s LEU 45 Ca 0.00 -1.04 -0.19 0.00 -1.03 0.00 0.00 54.13 51.87 2di9 s LEU 45 Cb 0.00 0.16 -0.05 0.00 0.03 0.00 0.00 46.19 46.33 2di9 s LEU 45 CO 0.00 -0.60 1.13 -0.69 0.23 0.00 0.00 176.35 176.42 2di9 s VAL 46 N -3.89 3.14 -0.60 -1.59 1.01 -1.12 -2.99 120.40 114.37 2di9 s VAL 46 Ca 0.11 0.69 0.00 0.00 0.00 0.00 0.00 61.98 62.78 2di9 s VAL 46 Cb 0.07 -3.26 0.00 0.00 0.00 0.00 0.00 36.38 33.19 2di9 s VAL 46 CO -0.07 -0.17 0.00 0.61 0.00 0.00 0.00 175.10 175.47 2di9 n GLY 47 N 0.11 -0.15 3.26 4.51 0.00 -1.12 -4.81 105.19 106.99 2di9 n GLY 47 Ca 0.12 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.90 2di9 n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2di9 s LYS 48 N -4.25 1.14 0.12 1.61 1.02 -1.16 -5.00 119.74 113.21 2di9 s LYS 48 Ca 0.00 -1.08 -0.31 0.00 0.02 0.00 0.00 55.97 54.60 2di9 s LYS 48 Cb 0.00 -1.34 -0.08 0.00 -0.52 0.00 0.00 37.83 35.89 2di9 s LYS 48 CO 0.00 0.32 1.36 -1.25 -0.92 0.00 0.00 175.35 174.86 2di9 s PRO 49 N -1.72 4.34 -0.08 -1.68 0.04 -1.26 -4.35 135.00 130.29 2di9 s PRO 49 Ca 0.06 2.03 -0.02 0.00 0.04 0.00 0.00 61.00 63.11 2di9 s PRO 49 Cb -0.10 -3.26 0.03 0.00 0.04 0.00 0.00 34.50 31.22 2di9 s PRO 49 CO 0.03 -0.40 0.03 0.00 0.04 0.00 0.00 177.00 176.70 2di9 s ALA 50 N 1.01 0.58 0.35 8.56 0.00 -0.58 -4.90 121.76 126.78 2di9 s ALA 50 Ca 0.63 -0.11 0.04 0.00 0.00 0.00 0.00 51.96 52.53 2di9 s ALA 50 Cb -0.36 -0.77 -0.03 0.00 0.00 0.00 0.00 23.12 21.96 2di9 s ALA 50 CO 0.31 -0.58 0.17 -1.83 0.00 0.00 0.00 175.76 173.82 2di9 s GLU 51 N 2.03 1.76 0.32 0.00 -1.05 -1.25 -0.64 118.70 119.86 2di9 s GLU 51 Ca 0.04 -2.03 -0.05 0.00 -0.15 0.00 0.00 54.97 52.78 2di9 s GLU 51 Cb -0.13 -0.22 0.00 0.00 -0.44 0.00 0.00 34.13 33.34 2di9 s GLU 51 CO -0.05 -0.50 0.47 -0.59 0.95 0.00 0.00 175.26 175.54 2di9 s PHE 52 N -3.42 0.91 -0.25 4.83 -0.71 -1.20 -0.16 117.98 117.98 2di9 s PHE 52 Ca 0.32 -1.18 -0.09 0.00 -1.04 0.00 0.00 56.93 54.94 2di9 s PHE 52 Cb 0.04 -0.02 -0.04 0.00 -1.21 0.00 0.00 43.02 41.79 2di9 s PHE 52 CO 0.18 -1.11 0.12 0.99 -1.34 0.00 0.00 175.22 174.07 2di9 s THR 53 N -3.24 4.87 -0.08 -4.49 2.01 0.10 -4.19 115.64 110.64 2di9 s THR 53 Ca 0.29 0.02 0.03 0.00 0.31 0.00 0.00 61.69 62.34 2di9 s THR 53 Cb -0.00 -3.28 -0.02 0.00 0.01 0.00 0.00 72.50 69.21 2di9 s THR 53 CO 0.18 0.32 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.62 2di9 s ILE 54 N 1.42 2.71 -0.14 1.82 1.01 -1.17 -0.94 121.20 125.92 2di9 s ILE 54 Ca 0.06 -0.82 -0.02 0.00 0.00 0.00 0.00 60.65 59.87 2di9 s ILE 54 Cb -0.15 -2.07 -0.02 0.00 0.01 0.00 0.00 42.46 40.23 2di9 s ILE 54 CO 0.06 0.56 -0.07 -0.62 0.00 0.00 0.00 174.94 174.87 2di9 s ASP 55 N -0.16 4.56 -0.00 3.58 -1.08 -0.10 -2.63 116.67 120.83 2di9 s ASP 55 Ca -0.02 -0.17 0.00 0.00 -0.52 0.00 0.00 52.55 51.85 2di9 s ASP 55 Cb -0.14 -1.65 -0.01 0.00 -1.46 0.00 0.00 42.92 39.67 2di9 s ASP 55 CO 0.03 0.19 0.00 0.35 0.52 0.00 0.00 175.17 176.27 2di9 n THR 56 N 3.35 0.02 -1.55 1.71 -2.24 -1.11 -2.83 114.28 111.63 2di9 n THR 56 Ca -0.18 -0.02 -0.53 0.00 -2.27 0.00 0.00 64.05 61.06 2di9 n THR 56 Cb 0.53 -0.68 -0.07 0.00 -2.10 0.00 0.00 70.33 68.01 2di9 n THR 56 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 2di9 n LYS 57 N -1.91 1.21 0.00 -0.78 2.85 -1.24 -0.49 118.16 117.80 2di9 n LYS 57 Ca -0.01 0.39 0.00 0.00 -1.05 0.00 0.00 58.31 57.64 2di9 n LYS 57 Cb 0.41 -2.34 0.00 0.00 -0.65 0.00 0.00 35.03 32.44 2di9 n LYS 57 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2di9 n GLY 58 N 5.62 1.87 0.32 2.58 0.00 -1.26 -4.97 105.19 109.35 2di9 n GLY 58 Ca 0.35 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.22 2di9 n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2di9 h ALA 59 N 0.00 -0.75 0.00 4.61 0.00 -1.02 -3.46 119.26 118.64 2di9 h ALA 59 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2di9 h ALA 59 Cb 0.00 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2di9 h ALA 59 CO 0.00 -0.79 0.00 0.41 0.00 0.00 0.00 179.25 178.87 2di9 n GLY 60 N -0.68 -0.13 3.46 0.00 0.00 -1.25 -1.69 105.19 104.91 2di9 n GLY 60 Ca -0.11 -0.02 0.01 0.00 0.00 0.00 0.00 46.02 45.90 2di9 n GLY 60 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2di9 s THR 61 N 0.00 -0.74 -0.51 2.61 2.01 -1.05 -4.75 115.64 113.21 2di9 s THR 61 Ca 0.00 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.00 2di9 s THR 61 Cb 0.00 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.51 2di9 s THR 61 CO 0.00 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.54 2di9 n GLY 62 N 5.24 -0.70 3.73 4.40 0.00 -1.26 -4.21 105.19 112.38 2di9 n GLY 62 Ca -0.09 -0.69 -0.23 0.00 0.00 0.00 0.00 46.02 45.01 2di9 n GLY 62 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2di9 s GLY 63 N 0.00 1.82 -0.06 -0.02 0.00 -1.26 -4.97 107.32 102.83 2di9 s GLY 63 Ca 0.00 -1.74 0.02 0.00 0.00 0.00 0.00 44.72 42.99 2di9 s GLY 63 CO 0.00 -1.71 -0.09 -2.27 0.00 0.00 0.00 173.10 169.03 2di9 s LEU 64 N -3.82 1.47 -0.40 0.66 2.96 -1.26 -0.30 118.68 118.00 2di9 s LEU 64 Ca 0.36 -0.23 -0.13 0.00 -0.22 0.00 0.00 54.13 53.91 2di9 s LEU 64 Cb -0.04 -0.68 0.03 0.00 0.50 0.00 0.00 46.19 46.00 2di9 s LEU 64 CO 0.22 -0.02 0.26 -0.83 -1.32 0.00 0.00 176.35 174.67 2di9 s GLY 65 N 0.87 1.97 -0.25 7.98 0.00 0.73 -4.96 107.32 113.66 2di9 s GLY 65 Ca -0.11 -1.76 -0.07 0.00 0.00 0.00 0.00 44.72 42.78 2di9 s GLY 65 CO 0.01 0.90 0.05 -2.27 0.00 0.00 0.00 173.10 171.79 2di9 s LEU 66 N 1.61 3.40 -0.02 0.66 2.96 -1.25 -2.87 118.68 123.17 2di9 s LEU 66 Ca 0.03 -0.33 0.01 0.00 -0.22 0.00 0.00 54.13 53.62 2di9 s LEU 66 Cb -0.20 -1.88 0.02 0.00 0.50 0.00 0.00 46.19 44.63 2di9 s LEU 66 CO 0.08 -0.06 -0.01 0.42 -1.32 0.00 0.00 176.35 175.46 2di9 s THR 67 N 1.57 0.21 -0.45 3.68 -4.23 -1.11 -4.97 115.64 110.33 2di9 s THR 67 Ca 0.06 -0.00 -0.23 0.00 -1.18 0.00 0.00 61.69 60.34 2di9 s THR 67 Cb -0.15 -0.26 0.03 0.00 1.34 0.00 0.00 72.50 73.46 2di9 s THR 67 CO 0.02 0.12 0.77 -0.69 -0.54 0.00 0.00 174.62 174.29 2di9 s VAL 68 N 0.61 4.67 -1.13 2.29 1.01 -1.26 -0.99 120.40 125.59 2di9 s VAL 68 Ca -0.06 0.36 -0.08 0.00 0.00 0.00 0.00 61.98 62.21 2di9 s VAL 68 Cb -0.09 -4.31 0.27 0.00 0.00 0.00 0.00 36.38 32.25 2di9 s VAL 68 CO -0.01 -0.71 1.38 -0.62 0.00 0.00 0.00 175.10 175.14 2di9 n GLU 69 N 6.66 3.91 -2.57 2.72 1.02 -0.17 -4.85 120.64 127.36 2di9 n GLU 69 Ca 0.02 -4.33 -0.07 0.00 -0.02 0.00 0.00 57.16 52.76 2di9 n GLU 69 Cb 0.48 -2.63 -0.01 0.00 -0.02 0.00 0.00 31.44 29.26 2di9 n GLU 69 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2di9 n GLY 70 N 2.30 4.04 0.10 0.62 0.00 -1.26 -3.34 105.19 107.64 2di9 n GLY 70 Ca 0.28 -2.20 0.11 0.00 0.00 0.00 0.00 46.02 44.21 2di9 n GLY 70 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2di9 n PRO 71 N -0.26 0.15 -4.22 1.61 -0.04 -1.26 -4.81 135.00 126.18 2di9 n PRO 71 Ca -0.04 0.39 -0.15 0.00 -0.04 0.00 0.00 63.50 63.66 2di9 n PRO 71 Cb 0.14 -1.79 -0.09 0.00 -0.04 0.00 0.00 33.50 31.72 2di9 n PRO 71 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2di9 s GLU 73 N -3.84 3.54 0.07 0.00 2.12 -1.26 -4.92 118.70 114.42 2di9 s GLU 73 Ca 0.39 -2.26 -0.23 0.00 0.36 0.00 0.00 54.97 53.22 2di9 s GLU 73 Cb 0.05 -4.49 -0.06 0.00 0.26 0.00 0.00 34.13 29.88 2di9 s GLU 73 CO 0.18 -1.38 0.69 0.00 -0.54 0.00 0.00 175.26 174.21 2di9 s ALA 74 N 0.74 3.46 0.65 6.30 0.00 -1.26 -4.99 121.76 126.66 2di9 s ALA 74 Ca 0.19 0.20 -0.18 0.00 0.00 0.00 0.00 51.96 52.17 2di9 s ALA 74 Cb -0.11 -2.85 -0.01 0.00 0.00 0.00 0.00 23.12 20.15 2di9 s ALA 74 CO -0.08 0.22 1.25 0.21 0.00 0.00 0.00 175.76 177.37 2di9 s LYS 75 N -0.60 2.57 -0.18 0.00 2.36 -1.23 -4.81 119.74 117.84 2di9 s LYS 75 Ca 0.34 1.94 -0.02 0.00 -2.55 0.00 0.00 55.97 55.68 2di9 s LYS 75 Cb -0.20 -1.86 0.06 0.00 -1.05 0.00 0.00 37.83 34.77 2di9 s LYS 75 CO 0.22 -1.55 0.02 0.42 1.55 0.00 0.00 175.35 176.01 2di9 s ILE 76 N -1.56 0.58 -0.46 5.43 1.01 -1.26 -2.47 121.20 122.47 2di9 s ILE 76 Ca 0.80 -0.51 -0.10 0.00 0.00 0.00 0.00 60.65 60.83 2di9 s ILE 76 Cb -0.34 -1.02 0.10 0.00 0.01 0.00 0.00 42.46 41.21 2di9 s ILE 76 CO 0.39 -0.13 0.33 -0.70 0.00 0.00 0.00 174.94 174.83 2di9 s GLU 77 N 1.84 2.59 -0.92 2.79 2.12 0.54 -4.96 118.70 122.71 2di9 s GLU 77 Ca -0.00 -1.63 -0.17 0.00 0.36 0.00 0.00 54.97 53.52 2di9 s GLU 77 Cb -0.16 -3.92 0.15 0.00 0.26 0.00 0.00 34.13 30.46 2di9 s GLU 77 CO -0.08 -1.11 1.06 0.00 -0.54 0.00 0.00 175.26 174.60 2di9 s SER 79 N 3.28 6.46 0.67 0.00 1.04 -1.22 -4.94 113.70 118.99 2di9 s SER 79 Ca 0.30 0.04 -0.14 0.00 0.48 0.00 0.00 55.95 56.63 2di9 s SER 79 Cb -0.06 -2.40 0.00 0.00 0.10 0.00 0.00 66.02 63.67 2di9 s SER 79 CO -0.09 -0.89 1.09 -0.62 0.98 0.00 0.00 173.24 173.71 2di9 s ASP 80 N 2.08 5.14 -0.17 7.02 2.15 -1.26 -1.97 116.67 129.67 2di9 s ASP 80 Ca 0.31 1.90 -0.12 0.00 0.43 0.00 0.00 52.55 55.07 2di9 s ASP 80 Cb -0.12 -2.54 -0.07 0.00 -0.30 0.00 0.00 42.92 39.89 2di9 s ASP 80 CO 0.22 -1.61 -0.28 0.59 -0.17 0.00 0.00 175.17 173.92 2di9 n ASN 81 N -2.62 1.64 0.00 -0.34 3.02 -1.18 -4.88 115.26 110.89 2di9 n ASN 81 Ca 0.10 0.28 0.00 0.00 -0.03 0.00 0.00 54.58 54.92 2di9 n ASN 81 Cb 0.52 -0.64 0.00 0.00 -0.61 0.00 0.00 39.78 39.05 2di9 n ASN 81 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2di9 n GLY 82 N 1.77 0.81 0.03 7.41 0.00 -1.26 -4.93 105.19 109.02 2di9 n GLY 82 Ca -0.27 0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.86 2di9 n GLY 82 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2di9 n ASP 83 N 0.00 0.14 0.00 1.61 5.68 -1.26 -4.95 116.55 117.77 2di9 n ASP 83 Ca 0.00 0.05 0.00 0.00 -0.50 0.00 0.00 54.79 54.34 2di9 n ASP 83 Cb 0.00 1.74 0.00 0.00 -1.14 0.00 0.00 41.12 41.72 2di9 n ASP 83 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2di9 n GLY 84 N 1.25 0.83 3.36 6.12 0.00 -1.26 -4.97 105.19 110.52 2di9 n GLY 84 Ca -0.04 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.85 2di9 n GLY 84 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2di9 s THR 85 N -0.83 0.00 -0.06 2.61 -4.23 -1.26 -2.75 115.64 109.12 2di9 s THR 85 Ca 0.00 -1.78 -0.03 0.00 -1.18 0.00 0.00 61.69 58.70 2di9 s THR 85 Cb 0.00 -2.47 0.04 0.00 1.34 0.00 0.00 72.50 71.41 2di9 s THR 85 CO 0.00 0.00 0.14 0.00 -0.54 0.00 0.00 174.62 174.22 2di9 n SER 87 N 4.32 4.80 -4.72 0.00 7.64 -0.83 -3.04 113.62 121.79 2di9 n SER 87 Ca -0.25 -3.24 -0.42 0.00 1.01 0.00 0.00 58.87 55.97 2di9 n SER 87 Cb 0.51 -1.07 -0.03 0.00 -1.01 0.00 0.00 64.21 62.61 2di9 n SER 87 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2di9 s VAL 88 N -1.89 4.35 -0.10 0.44 1.01 -1.26 -3.41 120.40 119.54 2di9 s VAL 88 Ca 0.31 1.75 0.02 0.00 0.00 0.00 0.00 61.98 64.07 2di9 s VAL 88 Cb -0.01 -4.12 0.01 0.00 0.00 0.00 0.00 36.38 32.26 2di9 s VAL 88 CO -0.05 0.17 -0.16 -0.94 0.00 0.00 0.00 175.10 174.13 2di9 s SER 89 N 0.77 2.40 0.29 3.32 1.04 0.61 -3.20 113.70 118.93 2di9 s SER 89 Ca 0.54 -0.42 0.10 0.00 0.48 0.00 0.00 55.95 56.65 2di9 s SER 89 Cb -0.26 -1.09 -0.05 0.00 0.10 0.00 0.00 66.02 64.73 2di9 s SER 89 CO 0.30 0.04 -0.09 -0.72 0.98 0.00 0.00 173.24 173.75 2di9 s TYR 90 N 0.82 2.48 -0.27 5.02 -0.85 0.19 -0.34 117.35 124.41 2di9 s TYR 90 Ca -0.10 -0.32 -0.01 0.00 -0.52 0.00 0.00 57.07 56.12 2di9 s TYR 90 Cb -0.16 -1.17 0.09 0.00 0.38 0.00 0.00 41.96 41.10 2di9 s TYR 90 CO 0.01 0.63 0.07 -0.51 -1.52 0.00 0.00 175.55 174.23 2di9 s LEU 91 N -3.61 1.89 1.13 -3.49 1.43 -1.03 -1.53 118.68 113.47 2di9 s LEU 91 Ca 0.31 -1.36 -0.17 0.00 -1.03 0.00 0.00 54.13 51.89 2di9 s LEU 91 Cb -0.04 -0.79 0.25 0.00 0.03 0.00 0.00 46.19 45.64 2di9 s LEU 91 CO 0.18 -0.37 1.10 -2.16 0.23 0.00 0.00 176.35 175.33 2di9 s PRO 92 N 1.69 -0.62 -0.02 1.29 0.04 -1.26 -3.56 135.00 132.56 2di9 s PRO 92 Ca 0.06 0.15 -0.00 0.00 0.04 0.00 0.00 61.00 61.24 2di9 s PRO 92 Cb -0.17 -1.65 -0.01 0.00 0.04 0.00 0.00 34.50 32.71 2di9 s PRO 92 CO -0.20 -3.36 -0.02 0.25 0.04 0.00 0.00 177.00 173.72 2di9 n THR 93 N -4.55 0.10 -4.47 1.26 -2.24 -1.26 -2.78 114.28 100.35 2di9 n THR 93 Ca 0.10 -0.03 -0.27 0.00 -2.27 0.00 0.00 64.05 61.57 2di9 n THR 93 Cb 0.59 -1.02 -0.13 0.00 -2.10 0.00 0.00 70.33 67.67 2di9 n THR 93 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 2di9 s LYS 94 N -2.04 1.37 -1.00 -0.78 -2.85 -1.26 -4.55 119.74 108.64 2di9 s LYS 94 Ca -0.03 -1.20 -0.24 0.00 -1.00 0.00 0.00 55.97 53.50 2di9 s LYS 94 Cb 0.01 -1.70 -0.06 0.00 -2.06 0.00 0.00 37.83 34.02 2di9 s LYS 94 CO 0.04 0.41 1.94 -1.25 0.10 0.00 0.00 175.35 176.59 2di9 s PRO 95 N -1.78 2.54 0.00 1.78 0.04 -1.26 -4.70 135.00 131.62 2di9 s PRO 95 Ca 0.10 -0.59 0.00 0.00 0.04 0.00 0.00 61.00 60.56 2di9 s PRO 95 Cb -0.10 -5.12 0.00 0.00 0.04 0.00 0.00 34.50 29.32 2di9 s PRO 95 CO 0.04 -3.58 0.00 0.41 0.04 0.00 0.00 177.00 173.91 2di9 n GLY 96 N 6.50 3.61 3.24 0.56 0.00 -1.24 -4.85 105.19 113.02 2di9 n GLY 96 Ca 0.42 -0.46 -0.12 0.00 0.00 0.00 0.00 46.02 45.86 2di9 n GLY 96 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2di9 s GLU 97 N 2.54 0.39 -0.19 1.61 1.03 -1.26 -0.98 118.70 121.84 2di9 s GLU 97 Ca 0.00 0.66 0.01 0.00 0.03 0.00 0.00 54.97 55.67 2di9 s GLU 97 Cb 0.00 0.05 0.03 0.00 -0.80 0.00 0.00 34.13 33.41 2di9 s GLU 97 CO 0.00 -0.12 -0.16 0.71 -1.33 0.00 0.00 175.26 174.36 2di9 s TYR 98 N 0.94 2.68 -0.50 4.83 1.51 -0.96 -4.28 117.35 121.57 2di9 s TYR 98 Ca -0.06 -1.65 -0.21 0.00 -1.01 0.00 0.00 57.07 54.13 2di9 s TYR 98 Cb -0.07 -1.82 0.04 0.00 -0.11 0.00 0.00 41.96 40.01 2di9 s TYR 98 CO -0.07 -0.78 0.73 -0.06 -1.11 0.00 0.00 175.55 174.26 2di9 s PHE 99 N 1.32 2.97 -0.53 2.71 0.40 -1.21 -2.42 117.98 121.22 2di9 s PHE 99 Ca 0.02 -0.24 -0.28 0.00 -0.60 0.00 0.00 56.93 55.83 2di9 s PHE 99 Cb -0.14 -3.67 0.03 0.00 0.51 0.00 0.00 43.02 39.75 2di9 s PHE 99 CO -0.11 -1.09 1.14 0.08 0.70 0.00 0.00 175.22 175.94 2di9 s VAL 100 N 3.10 4.15 -0.52 -0.44 1.01 -1.20 -1.00 120.40 125.50 2di9 s VAL 100 Ca 0.22 0.98 -0.28 0.00 0.00 0.00 0.00 61.98 62.90 2di9 s VAL 100 Cb -0.16 -4.65 0.03 0.00 0.00 0.00 0.00 36.38 31.60 2di9 s VAL 100 CO 0.16 -1.16 1.12 0.20 0.00 0.00 0.00 175.10 175.41 2di9 s ASN 101 N 2.71 6.53 -0.35 3.32 0.01 -0.16 -2.46 114.94 124.54 2di9 s ASN 101 Ca 0.44 0.24 -0.07 0.00 -0.71 0.00 0.00 52.86 52.75 2di9 s ASN 101 Cb -0.08 -2.53 0.04 0.00 0.41 0.00 0.00 41.25 39.09 2di9 s ASN 101 CO 0.28 -1.31 0.12 -0.63 -1.51 0.00 0.00 177.10 174.05 2di9 s ILE 102 N 4.51 3.91 -0.04 0.60 1.01 -1.26 -2.76 121.20 127.17 2di9 s ILE 102 Ca 0.44 -1.10 0.02 0.00 0.00 0.00 0.00 60.65 60.01 2di9 s ILE 102 Cb -0.08 -3.22 0.01 0.00 0.01 0.00 0.00 42.46 39.19 2di9 s ILE 102 CO 0.28 -0.20 -0.08 -1.48 0.00 0.00 0.00 174.94 173.47 2di9 s LEU 103 N 1.43 1.57 -0.34 2.97 0.05 -1.14 -1.50 118.68 121.72 2di9 s LEU 103 Ca -0.01 -0.19 -0.11 0.00 0.05 0.00 0.00 54.13 53.87 2di9 s LEU 103 Cb -0.20 -0.57 0.00 0.00 -2.05 0.00 0.00 46.19 43.37 2di9 s LEU 103 CO 0.03 0.01 0.19 0.12 -0.55 0.00 0.00 176.35 176.15 2di9 s PHE 104 N 0.61 3.21 -1.35 3.48 5.36 0.11 -0.19 117.98 129.20 2di9 s PHE 104 Ca -0.10 -0.62 -0.08 0.00 -0.96 0.00 0.00 56.93 55.17 2di9 s PHE 104 Cb -0.13 -2.41 0.01 0.00 -0.34 0.00 0.00 43.02 40.15 2di9 s PHE 104 CO 0.01 -0.50 1.16 0.39 -1.46 0.00 0.00 175.22 174.82 2di9 n GLU 105 N 5.01 -7.75 -2.10 10.12 1.02 0.59 -1.81 120.64 125.73 2di9 n GLU 105 Ca -0.13 0.82 -0.07 0.00 -0.02 0.00 0.00 57.16 57.76 2di9 n GLU 105 Cb 0.48 -5.87 -0.00 0.00 -0.02 0.00 0.00 31.44 26.03 2di9 n GLU 105 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2di9 n GLU 106 N -4.90 -0.57 -3.83 3.49 1.02 -1.26 -5.02 120.64 109.57 2di9 n GLU 106 Ca -0.03 0.36 -0.29 0.00 -0.02 0.00 0.00 57.16 57.19 2di9 n GLU 106 Cb 0.57 -4.25 -0.16 0.00 -0.02 0.00 0.00 31.44 27.58 2di9 n GLU 106 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2di9 s VAL 107 N -2.35 0.96 0.00 2.62 1.01 -0.75 -5.10 120.40 116.79 2di9 s VAL 107 Ca 0.00 -0.81 -0.30 0.00 0.00 0.00 0.00 61.98 60.87 2di9 s VAL 107 Cb 0.00 -1.34 -0.08 0.00 0.00 0.00 0.00 36.38 34.96 2di9 s VAL 107 CO 0.00 -0.13 1.91 -1.00 0.00 0.00 0.00 175.10 175.87 2di9 s HIS 108 N 1.66 1.43 0.62 5.22 3.76 -1.26 0.05 115.29 126.76 2di9 s HIS 108 Ca -0.03 -0.28 -0.17 0.00 -0.15 0.00 0.00 55.06 54.43 2di9 s HIS 108 Cb -0.18 -4.16 -0.02 0.00 1.11 0.00 0.00 32.58 29.33 2di9 s HIS 108 CO -0.07 -5.13 1.16 0.96 -0.85 0.00 0.00 174.74 170.81 2di9 s ILE 109 N 4.53 2.90 -1.13 0.60 -4.36 -0.56 -4.88 121.20 118.29 2di9 s ILE 109 Ca 0.85 0.50 -0.23 0.00 -0.26 0.00 0.00 60.65 61.51 2di9 s ILE 109 Cb -0.40 -3.11 -0.08 0.00 1.25 0.00 0.00 42.46 40.12 2di9 s ILE 109 CO 0.39 -0.18 1.94 -2.16 0.24 0.00 0.00 174.94 175.16 2di9 s PRO 110 N -3.62 2.50 0.00 0.37 0.04 -1.26 -2.34 135.00 130.69 2di9 s PRO 110 Ca 0.73 -1.00 0.00 0.00 0.04 0.00 0.00 61.00 60.76 2di9 s PRO 110 Cb -0.26 -5.21 0.00 0.00 0.04 0.00 0.00 34.50 29.07 2di9 s PRO 110 CO 0.36 -3.88 0.00 0.41 0.04 0.00 0.00 177.00 173.93 2di9 n GLY 111 N 6.00 0.17 3.86 0.56 0.00 -1.26 -5.04 105.19 109.48 2di9 n GLY 111 Ca 0.44 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.20 2di9 n GLY 111 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2di9 s SER 112 N 0.00 5.85 1.09 1.61 1.04 -0.99 -4.23 113.70 118.07 2di9 s SER 112 Ca 0.00 -0.01 -0.15 0.00 0.48 0.00 0.00 55.95 56.26 2di9 s SER 112 Cb 0.00 -1.63 0.23 0.00 0.10 0.00 0.00 66.02 64.72 2di9 s SER 112 CO 0.00 0.06 1.10 -2.16 0.98 0.00 0.00 173.24 173.21 2di9 s PRO 113 N -3.20 -0.31 -0.36 4.02 0.04 -1.26 -4.84 135.00 129.10 2di9 s PRO 113 Ca 0.32 0.27 0.00 0.00 0.04 0.00 0.00 61.00 61.63 2di9 s PRO 113 Cb -0.10 -1.67 0.09 0.00 0.04 0.00 0.00 34.50 32.86 2di9 s PRO 113 CO 0.25 -3.17 0.09 -0.06 0.04 0.00 0.00 177.00 174.16 2di9 s PHE 114 N -2.98 3.59 -0.04 0.56 0.40 -1.03 -4.85 117.98 113.63 2di9 s PHE 114 Ca 0.68 -2.55 -0.30 0.00 -0.60 0.00 0.00 56.93 54.16 2di9 s PHE 114 Cb -0.15 -2.86 -0.07 0.00 0.51 0.00 0.00 43.02 40.45 2di9 s PHE 114 CO 0.57 -0.93 1.95 0.21 0.70 0.00 0.00 175.22 177.72 2di9 s LYS 115 N 1.06 3.94 -0.34 0.44 2.20 -1.26 -3.26 119.74 122.52 2di9 s LYS 115 Ca 0.06 2.39 0.01 0.00 -0.36 0.00 0.00 55.97 58.07 2di9 s LYS 115 Cb -0.21 -4.17 0.09 0.00 -1.51 0.00 0.00 37.83 32.03 2di9 s LYS 115 CO -0.05 -1.17 0.06 0.00 -0.36 0.00 0.00 175.35 173.82 2di9 s ALA 116 N 5.15 2.91 -0.34 3.13 0.00 -1.02 -4.51 121.76 127.08 2di9 s ALA 116 Ca 0.88 -2.27 -0.29 0.00 0.00 0.00 0.00 51.96 50.28 2di9 s ALA 116 Cb -0.39 -2.03 0.01 0.00 0.00 0.00 0.00 23.12 20.71 2di9 s ALA 116 CO 0.38 -1.57 1.31 -0.51 0.00 0.00 0.00 175.76 175.38 2di9 s ASP 117 N 1.26 6.59 0.10 0.00 1.01 -0.74 -2.27 116.67 122.61 2di9 s ASP 117 Ca 0.04 1.05 -0.14 0.00 0.71 0.00 0.00 52.55 54.21 2di9 s ASP 117 Cb -0.20 -2.54 -0.06 0.00 1.01 0.00 0.00 42.92 41.12 2di9 s ASP 117 CO -0.05 -1.18 0.49 -0.63 0.21 0.00 0.00 175.17 174.01 2di9 s ILE 118 N 4.65 4.93 0.15 0.77 -1.09 -0.15 -3.49 121.20 126.96 2di9 s ILE 118 Ca 0.57 0.79 0.06 0.00 -2.23 0.00 0.00 60.65 59.84 2di9 s ILE 118 Cb -0.15 -3.73 -0.04 0.00 -1.58 0.00 0.00 42.46 36.96 2di9 s ILE 118 CO 0.26 0.35 -0.14 -1.61 -1.23 0.00 0.00 174.94 172.57 2di9 s GLU 119 N -1.69 1.12 0.01 2.79 2.02 -1.00 -3.65 118.70 118.30 2di9 s GLU 119 Ca 0.33 -1.36 -0.30 0.00 0.02 0.00 0.00 54.97 53.66 2di9 s GLU 119 Cb -0.16 -0.97 -0.05 0.00 0.10 0.00 0.00 34.13 33.05 2di9 s GLU 119 CO 0.18 0.18 1.35 -1.64 0.02 0.00 0.00 175.26 175.35 2di9 s MET 120 N -3.02 4.31 0.41 1.61 -1.94 -1.26 -2.79 119.30 116.62 2di9 s MET 120 Ca 0.13 1.92 -0.25 0.00 -1.71 0.00 0.00 55.69 55.78 2di9 s MET 120 Cb -0.03 -3.51 -0.08 0.00 2.01 0.00 0.00 34.83 33.22 2di9 s MET 120 CO 0.04 -0.51 1.18 -1.25 -0.01 0.00 0.00 175.02 174.47 2di9 s PRO 121 N 2.08 3.98 0.48 2.03 0.04 -1.26 -4.96 135.00 137.39 2di9 s PRO 121 Ca 0.62 1.86 -0.24 0.00 0.04 0.00 0.00 61.00 63.28 2di9 s PRO 121 Cb -0.31 -2.63 -0.07 0.00 0.04 0.00 0.00 34.50 31.53 2di9 s PRO 121 CO 0.27 -0.39 1.40 -0.06 0.04 0.00 0.00 177.00 178.26 2di9 s PHE 122 N -1.42 2.41 -0.11 0.56 0.40 -1.26 -5.03 117.98 113.53 2di9 s PHE 122 Ca 0.58 1.30 -0.08 0.00 -0.60 0.00 0.00 56.93 58.13 2di9 s PHE 122 Cb -0.31 -3.88 0.03 0.00 0.51 0.00 0.00 43.02 39.38 2di9 s PHE 122 CO 0.39 -2.90 0.28 0.34 0.70 0.00 0.00 175.22 174.02 2di9 s ASP 123 N -0.65 -0.30 -0.08 1.36 -1.08 -1.26 -5.13 116.67 109.53 2di9 s ASP 123 Ca 0.64 0.57 -0.30 0.00 -0.52 0.00 0.00 52.55 52.95 2di9 s ASP 123 Cb -0.43 0.54 -0.04 0.00 -1.46 0.00 0.00 42.92 41.53 2di9 s ASP 123 CO 0.53 -0.12 1.52 -2.16 0.52 0.00 0.00 175.17 175.46 2di9 s PRO 124 N 0.52 4.20 -0.16 4.34 0.04 -1.26 -4.93 135.00 137.76 2di9 s PRO 124 Ca -0.03 2.01 -0.13 0.00 0.04 0.00 0.00 61.00 62.90 2di9 s PRO 124 Cb -0.05 -3.89 -0.08 0.00 0.04 0.00 0.00 34.50 30.52 2di9 s PRO 124 CO -0.03 -0.79 -0.01 0.77 0.04 0.00 0.00 177.00 176.99 2di9 h SER 125 N 9.01 0.00 -1.55 6.66 0.02 -2.05 -3.43 113.55 122.21 2di9 h SER 125 Ca -0.35 -0.18 -0.44 0.00 -0.84 0.00 0.00 61.79 59.97 2di9 h SER 125 Cb 1.15 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.65 2di9 h SER 125 CO 0.96 0.95 1.13 -0.44 -1.14 0.00 0.00 176.83 178.29 2di9 s SER 126 N -6.05 5.42 0.97 3.07 0.01 -1.26 -4.97 113.70 110.88 2di9 s SER 126 Ca -0.17 -0.21 -0.15 0.00 1.31 0.00 0.00 55.95 56.73 2di9 s SER 126 Cb 0.03 -2.55 0.19 0.00 0.21 0.00 0.00 66.02 63.90 2di9 s SER 126 CO 0.32 -2.37 1.25 -0.83 0.41 0.00 0.00 173.24 172.01 2di9 s GLY 127 N 7.37 1.70 0.12 3.44 0.00 -1.26 -4.99 107.32 113.69 2di9 s GLY 127 Ca 0.63 -1.00 -0.13 0.00 0.00 0.00 0.00 44.72 44.22 2di9 s GLY 127 CO 0.11 -0.28 1.44 -0.56 0.00 0.00 0.00 173.10 173.81 2di9 h PRO 128 N -1.68 0.79 -6.13 2.90 0.13 -2.00 -3.46 132.00 122.55 2di9 h PRO 128 Ca -0.45 -0.42 -0.45 0.00 -0.87 0.00 0.00 66.00 63.80 2di9 h PRO 128 Cb 1.27 0.02 -0.25 0.00 0.13 0.00 0.00 31.00 32.17 2di9 h PRO 128 CO 0.45 1.05 -0.66 0.43 -0.23 0.00 0.00 178.00 179.04 2di9 n SER 129 N -4.18 -0.87 -3.73 1.44 7.64 -1.26 -4.85 113.62 107.80 2di9 n SER 129 Ca -0.03 -0.90 -0.13 0.00 1.01 0.00 0.00 58.87 58.81 2di9 n SER 129 Cb 0.50 -1.15 -0.10 0.00 -1.01 0.00 0.00 64.21 62.46 2di9 n SER 129 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2di9 s SER 130 N -2.92 -0.38 0.00 6.43 1.04 -1.26 -5.32 113.70 111.28 2di9 s SER 130 Ca 0.47 0.67 0.00 0.00 0.48 0.00 0.00 55.95 57.57 2di9 s SER 130 Cb -0.27 0.71 0.00 0.00 0.10 0.00 0.00 66.02 66.56 2di9 s SER 130 CO 0.74 -0.21 0.00 0.61 0.98 0.00 0.00 173.24 175.35