#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 -0.67 -0.25 1.61 0.15 -1.26 -5.15 113.70 108.12 2di9 s SER 2 Ca 0.00 1.13 -0.27 0.00 0.70 0.00 0.00 55.95 57.51 2di9 s SER 2 Cb 0.00 1.78 0.14 0.00 -1.71 0.00 0.00 66.02 66.24 2di9 s SER 2 CO 0.00 -0.24 1.14 -0.55 1.20 0.00 0.00 173.24 174.79 2di9 s SER 3 N 2.74 -0.31 0.00 5.45 0.15 -1.26 -5.17 113.70 115.31 2di9 s SER 3 Ca 0.01 0.51 0.00 0.00 0.70 0.00 0.00 55.95 57.16 2di9 s SER 3 Cb -0.13 0.48 0.00 0.00 -1.71 0.00 0.00 66.02 64.67 2di9 s SER 3 CO -0.16 -0.16 0.00 0.61 1.20 0.00 0.00 173.24 174.73 2di9 n GLY 4 N 1.53 -0.89 2.76 9.45 0.00 -1.26 -5.14 105.19 111.65 2di9 n GLY 4 Ca -0.10 -0.13 -0.18 0.00 0.00 0.00 0.00 46.02 45.60 2di9 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2di9 s SER 5 N -4.00 0.75 -0.00 1.61 0.01 -1.26 -5.14 113.70 105.67 2di9 s SER 5 Ca 0.00 0.00 -0.00 0.00 1.31 0.00 0.00 55.95 57.26 2di9 s SER 5 Cb 0.00 -0.21 -0.00 0.00 0.21 0.00 0.00 66.02 66.02 2di9 s SER 5 CO 0.00 -0.16 0.00 -0.55 0.41 0.00 0.00 173.24 172.94 2di9 s SER 6 N 1.49 0.01 0.00 2.44 0.15 -1.26 -5.10 113.70 111.42 2di9 s SER 6 Ca -0.03 -0.02 0.00 0.00 0.70 0.00 0.00 55.95 56.60 2di9 s SER 6 Cb -0.13 0.01 0.00 0.00 -1.71 0.00 0.00 66.02 64.19 2di9 s SER 6 CO -0.03 -0.01 0.00 0.61 1.20 0.00 0.00 173.24 175.01 2di9 n GLY 7 N 3.02 0.91 3.25 9.45 0.00 -1.26 -5.16 105.19 115.39 2di9 n GLY 7 Ca -0.12 0.37 -0.04 0.00 0.00 0.00 0.00 46.02 46.23 2di9 n GLY 7 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2di9 s ASP 8 N 0.00 -0.61 -0.18 1.61 -1.08 -1.26 -5.15 116.67 110.00 2di9 s ASP 8 Ca 0.00 0.93 -0.12 0.00 -0.52 0.00 0.00 52.55 52.84 2di9 s ASP 8 Cb 0.00 1.71 -0.05 0.00 -1.46 0.00 0.00 42.92 43.12 2di9 s ASP 8 CO 0.00 -0.25 0.20 0.54 0.52 0.00 0.00 175.17 176.18 2di9 s VAL 9 N 2.72 5.36 0.19 1.11 0.11 -1.26 -5.07 120.40 123.56 2di9 s VAL 9 Ca 0.06 0.35 -0.30 0.00 -2.93 0.00 0.00 61.98 59.16 2di9 s VAL 9 Cb -0.14 -3.54 -0.08 0.00 -1.53 0.00 0.00 36.38 31.10 2di9 s VAL 9 CO -0.17 0.43 1.14 -0.89 -3.33 0.00 0.00 175.10 172.28 2di9 s THR 10 N 0.34 3.72 -0.17 5.04 2.01 -1.26 -5.03 115.64 120.29 2di9 s THR 10 Ca 0.12 1.48 0.01 0.00 0.31 0.00 0.00 61.69 63.61 2di9 s THR 10 Cb -0.12 -3.94 0.03 0.00 0.01 0.00 0.00 72.50 68.47 2di9 s THR 10 CO 0.01 0.25 -0.15 -0.47 -0.69 0.00 0.00 174.62 173.58 2di9 s TYR 11 N -0.21 2.39 -0.29 4.92 6.14 -1.26 -5.09 117.35 123.94 2di9 s TYR 11 Ca 0.51 -1.43 -0.16 0.00 0.64 0.00 0.00 57.07 56.62 2di9 s TYR 11 Cb -0.31 -1.69 0.18 0.00 0.42 0.00 0.00 41.96 40.56 2di9 s TYR 11 CO 0.36 -0.72 1.14 0.16 0.64 0.00 0.00 175.55 177.13 2di9 s ASP 12 N 1.41 -0.26 0.00 4.32 1.47 -1.26 -5.17 116.67 117.18 2di9 s ASP 12 Ca 0.03 0.42 0.00 0.00 1.18 0.00 0.00 52.55 54.18 2di9 s ASP 12 Cb -0.14 1.07 0.00 0.00 -0.34 0.00 0.00 42.92 43.52 2di9 s ASP 12 CO -0.11 -0.07 0.00 0.61 0.68 0.00 0.00 175.17 176.29 2di9 n GLY 13 N 3.29 4.17 3.47 2.12 0.00 -1.26 -5.12 105.19 111.87 2di9 n GLY 13 Ca -0.18 -0.57 -0.42 0.00 0.00 0.00 0.00 46.02 44.85 2di9 n GLY 13 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2di9 n HIS 14 N -0.38 -0.24 -2.06 1.61 1.44 -1.26 -4.80 115.22 109.52 2di9 n HIS 14 Ca 0.00 0.64 -0.41 0.00 -2.01 0.00 0.00 57.72 55.94 2di9 n HIS 14 Cb 0.00 -2.03 -0.03 0.00 0.12 0.00 0.00 29.99 28.06 2di9 n HIS 14 CO 0.00 0.00 0.00 -1.25 -2.81 0.00 0.00 176.34 172.28 2di9 s PRO 15 N -1.54 3.02 0.54 -1.40 0.04 -1.26 -4.97 135.00 129.42 2di9 s PRO 15 Ca 0.63 0.96 -0.21 0.00 0.04 0.00 0.00 61.00 62.41 2di9 s PRO 15 Cb -0.64 -4.27 -0.06 0.00 0.04 0.00 0.00 34.50 29.57 2di9 s PRO 15 CO 0.58 -2.25 1.15 1.33 0.04 0.00 0.00 177.00 177.85 2di9 n VAL 16 N 7.27 3.48 -2.10 -0.36 0.24 -1.26 -4.88 118.33 120.72 2di9 n VAL 16 Ca 0.21 -0.50 -0.43 0.00 -2.04 0.00 0.00 64.34 61.58 2di9 n VAL 16 Cb 0.50 -1.39 -0.03 0.00 -1.47 0.00 0.00 33.84 31.45 2di9 n VAL 16 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 2di9 s PRO 17 N -2.65 3.54 -0.46 7.34 0.04 -1.26 -4.92 135.00 136.64 2di9 s PRO 17 Ca 0.71 1.44 0.06 0.00 0.04 0.00 0.00 61.00 63.24 2di9 s PRO 17 Cb -0.45 -4.11 0.19 0.00 0.04 0.00 0.00 34.50 30.17 2di9 s PRO 17 CO 0.50 -1.60 0.55 0.41 0.04 0.00 0.00 177.00 176.90 2di9 n GLY 18 N 5.09 1.03 3.47 0.56 0.00 -1.26 -5.12 105.19 108.96 2di9 n GLY 18 Ca 0.20 -0.56 -0.17 0.00 0.00 0.00 0.00 46.02 45.50 2di9 n GLY 18 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2di9 s SER 19 N 0.10 -0.58 0.15 1.61 1.04 -1.26 -5.06 113.70 109.70 2di9 s SER 19 Ca 0.32 0.65 -0.10 0.00 0.48 0.00 0.00 55.95 57.31 2di9 s SER 19 Cb 0.05 0.56 -0.01 0.00 0.10 0.00 0.00 66.02 66.72 2di9 s SER 19 CO -0.14 -0.55 1.49 1.55 0.98 0.00 0.00 173.24 176.57 2di9 h PRO 20 N 3.30 0.90 -3.96 4.02 0.13 -2.02 -3.45 132.00 130.92 2di9 h PRO 20 Ca -0.28 -0.47 0.00 0.00 -0.87 0.00 0.00 66.00 64.38 2di9 h PRO 20 Cb 1.15 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2di9 h PRO 20 CO 0.37 1.12 0.00 0.98 -0.23 0.00 0.00 178.00 180.24 2di9 n TYR 21 N -4.05 -1.59 -3.74 1.56 9.36 -1.26 -4.81 117.16 112.62 2di9 n TYR 21 Ca -0.02 0.00 -0.13 0.00 3.32 0.00 0.00 57.90 61.07 2di9 n TYR 21 Cb 0.54 -0.90 -0.10 0.00 -0.63 0.00 0.00 39.34 38.26 2di9 n TYR 21 CO 0.00 0.00 0.00 0.99 0.22 0.00 0.00 176.86 178.07 2di9 s THR 22 N -1.59 0.02 -2.00 2.97 2.01 -1.26 -5.02 115.64 110.77 2di9 s THR 22 Ca 0.00 -0.18 0.08 0.00 0.31 0.00 0.00 61.69 61.89 2di9 s THR 22 Cb 0.00 -0.57 0.22 0.00 0.01 0.00 0.00 72.50 72.16 2di9 s THR 22 CO 0.00 -0.10 1.16 1.33 -0.69 0.00 0.00 174.62 176.32 2di9 n VAL 23 N 2.20 0.00 -2.06 3.82 0.24 -1.26 -3.90 118.33 117.37 2di9 n VAL 23 Ca -0.17 0.00 -0.40 0.00 -2.04 0.00 0.00 64.34 61.74 2di9 n VAL 23 Cb 0.57 -0.22 0.04 0.00 -1.47 0.00 0.00 33.84 32.75 2di9 n VAL 23 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2di9 n GLU 24 N -0.64 3.18 -0.92 7.34 -0.58 -1.26 -4.51 120.64 123.26 2di9 n GLU 24 Ca 0.06 -3.74 0.04 0.00 -0.42 0.00 0.00 57.16 53.10 2di9 n GLU 24 Cb 0.03 -2.30 0.16 0.00 -0.57 0.00 0.00 31.44 28.75 2di9 n GLU 24 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2di9 n ALA 25 N -0.46 3.47 -3.15 0.62 0.00 -1.25 -4.97 120.51 114.77 2di9 n ALA 25 Ca 0.52 -3.13 0.05 0.00 0.00 0.00 0.00 53.44 50.88 2di9 n ALA 25 Cb 0.25 -0.44 -0.02 0.00 0.00 0.00 0.00 19.45 19.25 2di9 n ALA 25 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2di9 s SER 26 N -3.02 -0.36 0.02 0.00 0.15 -1.26 -5.17 113.70 104.06 2di9 s SER 26 Ca 0.38 0.21 0.03 0.00 0.70 0.00 0.00 55.95 57.27 2di9 s SER 26 Cb 0.38 1.29 -0.01 0.00 -1.71 0.00 0.00 66.02 65.96 2di9 s SER 26 CO -0.08 -0.07 -0.10 -0.76 1.20 0.00 0.00 173.24 173.43 2di9 s LEU 27 N 2.96 2.10 0.50 3.45 1.43 -1.26 -5.13 118.68 122.74 2di9 s LEU 27 Ca -0.01 -0.31 -0.21 0.00 -1.03 0.00 0.00 54.13 52.57 2di9 s LEU 27 Cb -0.09 -0.46 -0.07 0.00 0.03 0.00 0.00 46.19 45.61 2di9 s LEU 27 CO -0.11 0.04 1.15 -2.16 0.23 0.00 0.00 176.35 175.49 2di9 s PRO 28 N -0.71 3.56 0.12 1.29 0.04 -1.26 -3.52 135.00 134.51 2di9 s PRO 28 Ca 0.01 1.69 -0.31 0.00 0.04 0.00 0.00 61.00 62.43 2di9 s PRO 28 Cb -0.06 -2.20 -0.08 0.00 0.04 0.00 0.00 34.50 32.20 2di9 s PRO 28 CO 0.00 -0.70 1.36 -1.25 0.04 0.00 0.00 177.00 176.45 2di9 s PRO 29 N -3.00 4.34 -0.05 0.56 0.04 -1.25 -4.36 135.00 131.29 2di9 s PRO 29 Ca 0.68 2.04 -0.01 0.00 0.04 0.00 0.00 61.00 63.75 2di9 s PRO 29 Cb -0.26 -3.25 0.03 0.00 0.04 0.00 0.00 34.50 31.05 2di9 s PRO 29 CO 0.31 -0.40 0.01 0.34 0.04 0.00 0.00 177.00 177.30 2di9 s ASP 30 N 1.02 1.03 0.15 6.66 -1.08 -1.26 -5.04 116.67 118.16 2di9 s ASP 30 Ca 0.63 -0.03 -0.10 0.00 -0.52 0.00 0.00 52.55 52.53 2di9 s ASP 30 Cb -0.36 -0.29 -0.03 0.00 -1.46 0.00 0.00 42.92 40.78 2di9 s ASP 30 CO 0.31 -0.17 1.48 1.55 0.52 0.00 0.00 175.17 178.86 2di9 h PRO 31 N 7.91 0.93 -0.34 4.34 0.13 -1.92 -2.99 132.00 140.07 2di9 h PRO 31 Ca -0.27 -0.49 0.10 0.00 -0.87 0.00 0.00 66.00 64.47 2di9 h PRO 31 Cb 1.13 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 2di9 h PRO 31 CO 0.32 1.15 0.33 0.77 -0.23 0.00 0.00 178.00 180.34 2di9 h SER 32 N 0.76 0.00 1.88 1.44 0.02 -1.96 0.48 113.55 116.17 2di9 h SER 32 Ca 0.06 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.00 2di9 h SER 32 Cb 0.98 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.52 2di9 h SER 32 CO 0.10 0.00 -0.12 0.11 -1.14 0.00 0.00 176.83 175.77 2di9 h LYS 33 N 0.00 0.00 -6.21 3.45 1.79 -1.83 -3.43 116.57 110.34 2di9 h LYS 33 Ca 0.16 0.00 -0.52 0.00 -2.18 0.00 0.00 60.65 58.11 2di9 h LYS 33 Cb 0.82 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 31.40 2di9 h LYS 33 CO -0.00 0.05 1.17 0.08 -1.08 0.00 0.00 179.45 179.67 2di9 s VAL 34 N -3.20 3.59 -0.14 0.50 1.01 0.17 -4.57 120.40 117.77 2di9 s VAL 34 Ca 0.06 0.29 -0.02 0.00 0.00 0.00 0.00 61.98 62.31 2di9 s VAL 34 Cb 0.06 -4.57 -0.02 0.00 0.00 0.00 0.00 36.38 31.84 2di9 s VAL 34 CO 0.69 -1.52 -0.07 -0.54 0.00 0.00 0.00 175.10 173.66 2di9 s LYS 35 N 6.19 3.52 -0.25 2.72 3.01 -1.19 -4.85 119.74 128.89 2di9 s LYS 35 Ca 0.47 -0.57 -0.05 0.00 -1.01 0.00 0.00 55.97 54.80 2di9 s LYS 35 Cb -0.09 -2.80 -0.01 0.00 -1.01 0.00 0.00 37.83 33.92 2di9 s LYS 35 CO 0.16 0.26 0.02 0.00 0.51 0.00 0.00 175.35 176.30 2di9 s ALA 36 N 0.27 2.97 -0.04 5.17 0.00 -1.26 -0.87 121.76 128.00 2di9 s ALA 36 Ca -0.05 -1.23 -0.01 0.00 0.00 0.00 0.00 51.96 50.66 2di9 s ALA 36 Cb -0.14 -1.92 0.03 0.00 0.00 0.00 0.00 23.12 21.09 2di9 s ALA 36 CO 0.04 -0.58 0.04 -3.38 0.00 0.00 0.00 175.76 171.88 2di9 s HIS 37 N 1.52 0.23 -2.55 0.00 -3.43 -0.39 -4.98 115.29 105.69 2di9 s HIS 37 Ca 0.05 0.11 0.00 0.00 -0.80 0.00 0.00 55.06 54.42 2di9 s HIS 37 Cb -0.15 -0.52 0.00 0.00 -1.43 0.00 0.00 32.58 30.48 2di9 s HIS 37 CO -0.00 -0.20 0.00 0.41 -2.00 0.00 0.00 174.74 172.95 2di9 n GLY 38 N 4.98 -1.81 0.16 -1.38 0.00 -1.26 -1.49 105.19 104.38 2di9 n GLY 38 Ca -0.10 -1.13 -0.13 0.00 0.00 0.00 0.00 46.02 44.66 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 0.45 0.00 1.61 0.13 -1.88 -3.03 132.00 129.28 2di9 h PRO 39 Ca 0.00 -0.24 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 2di9 h PRO 39 Cb 0.00 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.14 2di9 h PRO 39 CO 0.00 0.81 0.45 0.78 -0.23 0.00 0.00 178.00 179.81 2di9 h GLY 40 N 0.11 0.00 0.31 1.56 0.00 -0.18 0.27 103.07 105.14 2di9 h GLY 40 Ca 0.03 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.14 2di9 h GLY 40 CO 0.05 0.00 -1.17 1.41 0.00 0.00 0.00 176.54 176.83 2di9 h LEU 41 N 0.00 0.21 -0.95 3.11 3.38 -1.76 -3.36 115.31 115.94 2di9 h LEU 41 Ca 0.00 -0.78 -0.11 0.00 0.09 0.00 0.00 57.88 57.08 2di9 h LEU 41 Cb 0.89 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 2di9 h LEU 41 CO 0.00 1.49 -0.48 1.05 0.09 0.00 0.00 178.44 180.59 2di9 h GLU 42 N -0.60 0.10 0.00 1.13 -0.00 -1.00 -3.34 114.58 110.87 2di9 h GLU 42 Ca -0.27 -0.05 0.00 0.00 -0.00 0.00 0.00 59.36 59.04 2di9 h GLU 42 Cb 1.52 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.27 2di9 h GLU 42 CO -0.03 0.56 0.00 0.41 -0.00 0.00 0.00 179.01 179.95 2di9 n GLY 43 N -0.09 0.48 0.00 1.06 0.00 0.76 -3.63 105.19 103.77 2di9 n GLY 43 Ca -0.02 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.31 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 1.93 2.98 -0.02 0.00 -1.25 -3.96 105.19 104.87 2di9 n GLY 44 Ca 0.00 -0.18 -0.16 0.00 0.00 0.00 0.00 46.02 45.68 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 2.05 0.33 0.99 1.43 -1.26 -2.17 118.68 120.04 2di9 s LEU 45 Ca 0.00 -0.17 -0.29 0.00 -1.03 0.00 0.00 54.13 52.64 2di9 s LEU 45 Cb 0.00 -0.29 -0.12 0.00 0.03 0.00 0.00 46.19 45.82 2di9 s LEU 45 CO 0.00 0.03 1.42 0.52 0.23 0.00 0.00 176.35 178.56 2di9 n VAL 46 N 2.73 1.68 0.00 -1.59 0.31 -1.08 -1.70 118.33 118.68 2di9 n VAL 46 Ca -0.14 -0.42 0.00 0.00 -0.01 0.00 0.00 64.34 63.77 2di9 n VAL 46 Cb 0.57 -1.75 0.00 0.00 -0.91 0.00 0.00 33.84 31.75 2di9 n VAL 46 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2di9 n GLY 47 N 1.11 2.58 3.87 2.92 0.00 -1.24 -4.70 105.19 109.73 2di9 n GLY 47 Ca 0.05 -0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 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 0.00 3.78 0.81 1.61 1.02 -0.69 -4.87 119.74 121.40 2di9 s LYS 48 Ca 0.00 0.21 -0.11 0.00 0.02 0.00 0.00 55.97 56.09 2di9 s LYS 48 Cb 0.00 -2.82 0.08 0.00 -0.52 0.00 0.00 37.83 34.57 2di9 s LYS 48 CO 0.00 0.43 1.09 -1.25 -0.92 0.00 0.00 175.35 174.70 2di9 s PRO 49 N -2.44 1.95 -0.20 -1.68 0.04 -1.26 -4.26 135.00 127.14 2di9 s PRO 49 Ca 0.41 1.06 -0.06 0.00 0.04 0.00 0.00 61.00 62.46 2di9 s PRO 49 Cb -0.13 -1.87 0.10 0.00 0.04 0.00 0.00 34.50 32.64 2di9 s PRO 49 CO 0.21 -1.83 0.40 0.00 0.04 0.00 0.00 177.00 175.81 2di9 s ALA 50 N -2.91 -1.09 0.40 8.56 0.00 -0.07 -4.77 121.76 121.87 2di9 s ALA 50 Ca 0.62 1.33 0.03 0.00 0.00 0.00 0.00 51.96 53.95 2di9 s ALA 50 Cb -0.17 -1.37 -0.04 0.00 0.00 0.00 0.00 23.12 21.54 2di9 s ALA 50 CO 0.56 -0.85 0.08 -1.83 0.00 0.00 0.00 175.76 173.73 2di9 s GLU 51 N 2.58 1.88 0.29 0.00 4.04 -1.25 -1.36 118.70 124.88 2di9 s GLU 51 Ca 0.02 -2.12 -0.05 0.00 0.04 0.00 0.00 54.97 52.85 2di9 s GLU 51 Cb -0.13 -0.87 -0.01 0.00 0.02 0.00 0.00 34.13 33.14 2di9 s GLU 51 CO -0.13 -0.35 0.42 -0.59 -1.84 0.00 0.00 175.26 172.77 2di9 s PHE 52 N -3.17 0.87 -0.31 4.83 -0.71 -1.23 0.40 117.98 118.66 2di9 s PHE 52 Ca 0.26 -1.14 -0.08 0.00 -1.04 0.00 0.00 56.93 54.92 2di9 s PHE 52 Cb 0.05 -0.09 0.01 0.00 -1.21 0.00 0.00 43.02 41.78 2di9 s PHE 52 CO 0.13 -1.01 0.13 0.99 -1.34 0.00 0.00 175.22 174.12 2di9 s THR 53 N -3.53 4.30 -0.19 -4.49 2.01 -0.55 -4.40 115.64 108.79 2di9 s THR 53 Ca 0.30 -0.63 -0.08 0.00 0.31 0.00 0.00 61.69 61.59 2di9 s THR 53 Cb 0.01 -3.24 -0.04 0.00 0.01 0.00 0.00 72.50 69.23 2di9 s THR 53 CO 0.16 0.02 0.08 -0.63 -0.69 0.00 0.00 174.62 173.55 2di9 s ILE 54 N 1.55 4.93 -0.51 1.82 1.01 -1.25 -1.26 121.20 127.49 2di9 s ILE 54 Ca 0.03 0.02 -0.17 0.00 0.00 0.00 0.00 60.65 60.52 2di9 s ILE 54 Cb -0.17 -3.23 0.08 0.00 0.01 0.00 0.00 42.46 39.14 2di9 s ILE 54 CO 0.05 0.45 0.53 -0.62 0.00 0.00 0.00 174.94 175.35 2di9 s ASP 55 N 0.39 6.19 -0.02 3.58 -1.08 -0.05 -3.70 116.67 121.98 2di9 s ASP 55 Ca 0.04 -1.21 0.16 0.00 -0.52 0.00 0.00 52.55 51.01 2di9 s ASP 55 Cb -0.12 -2.24 -0.24 0.00 -1.46 0.00 0.00 42.92 38.86 2di9 s ASP 55 CO -0.00 -0.82 0.35 0.35 0.52 0.00 0.00 175.17 175.57 2di9 n THR 56 N 5.41 0.00 -0.37 1.71 -2.24 -1.14 -3.15 114.28 114.51 2di9 n THR 56 Ca -0.10 -0.35 0.05 0.00 -2.27 0.00 0.00 64.05 61.38 2di9 n THR 56 Cb 0.44 0.17 0.21 0.00 -2.10 0.00 0.00 70.33 69.05 2di9 n THR 56 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 2di9 h LYS 57 N 0.00 1.04 0.00 -0.78 2.10 -1.84 0.13 116.57 117.22 2di9 h LYS 57 Ca 0.00 -0.06 0.00 0.00 -2.00 0.00 0.00 60.65 58.59 2di9 h LYS 57 Cb 0.70 -0.24 0.00 0.00 -0.90 0.00 0.00 32.23 31.79 2di9 h LYS 57 CO 0.00 0.69 0.00 0.78 -2.00 0.00 0.00 179.45 178.92 2di9 h GLY 58 N 1.07 0.00 0.00 0.07 0.00 -1.82 -3.20 103.07 99.19 2di9 h GLY 58 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.80 2di9 h GLY 58 CO -0.23 0.00 -0.39 0.00 0.00 0.00 0.00 176.54 175.93 2di9 n ALA 59 N -1.83 0.34 0.00 3.60 0.00 0.40 -4.79 120.51 118.23 2di9 n ALA 59 Ca -0.00 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.08 2di9 n ALA 59 Cb 0.11 0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.57 2di9 n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2di9 n GLY 60 N 1.64 1.02 3.04 0.00 0.00 -0.92 -4.21 105.19 105.77 2di9 n GLY 60 Ca -0.05 -0.32 -0.13 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.02 -2.91 2.61 2.01 -1.23 -4.85 115.64 111.25 2di9 s THR 61 Ca 0.00 0.07 0.00 0.00 0.31 0.00 0.00 61.69 62.07 2di9 s THR 61 Cb 0.00 -0.30 0.00 0.00 0.01 0.00 0.00 72.50 72.21 2di9 s THR 61 CO 0.00 0.03 0.00 0.61 -0.69 0.00 0.00 174.62 174.57 2di9 n GLY 62 N 3.50 -1.08 3.12 4.40 0.00 -1.26 -3.86 105.19 110.01 2di9 n GLY 62 Ca -0.18 -1.00 -0.30 0.00 0.00 0.00 0.00 46.02 44.53 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 1.18 -0.13 -0.02 0.00 -1.26 -5.02 107.32 102.07 2di9 s GLY 63 Ca 0.00 -0.87 -0.05 0.00 0.00 0.00 0.00 44.72 43.80 2di9 s GLY 63 CO 0.00 0.02 0.07 -2.27 0.00 0.00 0.00 173.10 170.92 2di9 s LEU 64 N 0.77 3.96 -0.11 0.66 2.96 -1.26 -0.42 118.68 125.23 2di9 s LEU 64 Ca -0.10 0.25 -0.01 0.00 -0.22 0.00 0.00 54.13 54.05 2di9 s LEU 64 Cb -0.16 -1.96 -0.03 0.00 0.50 0.00 0.00 46.19 44.55 2di9 s LEU 64 CO 0.01 0.33 -0.08 -0.83 -1.32 0.00 0.00 176.35 174.46 2di9 s GLY 65 N -0.57 1.66 -0.10 7.98 0.00 0.66 -4.98 107.32 111.98 2di9 s GLY 65 Ca 0.11 -0.87 0.00 0.00 0.00 0.00 0.00 44.72 43.96 2di9 s GLY 65 CO 0.02 -0.34 -0.08 -2.27 0.00 0.00 0.00 173.10 170.42 2di9 s LEU 66 N -0.11 1.28 -0.07 0.66 2.96 -1.25 -2.13 118.68 120.02 2di9 s LEU 66 Ca 0.01 -0.29 0.01 0.00 -0.22 0.00 0.00 54.13 53.63 2di9 s LEU 66 Cb -0.13 -0.82 0.02 0.00 0.50 0.00 0.00 46.19 45.76 2di9 s LEU 66 CO 0.03 -0.09 -0.06 0.42 -1.32 0.00 0.00 176.35 175.33 2di9 s THR 67 N 1.47 0.74 -0.53 3.68 -4.23 -1.16 -4.96 115.64 110.65 2di9 s THR 67 Ca 0.01 -0.19 -0.27 0.00 -1.18 0.00 0.00 61.69 60.06 2di9 s THR 67 Cb -0.13 -0.76 0.03 0.00 1.34 0.00 0.00 72.50 72.98 2di9 s THR 67 CO -0.06 0.29 1.07 -0.69 -0.54 0.00 0.00 174.62 174.69 2di9 s VAL 68 N 1.24 4.23 -0.34 2.29 1.01 -1.26 -2.18 120.40 125.39 2di9 s VAL 68 Ca -0.05 0.79 -0.01 0.00 0.00 0.00 0.00 61.98 62.70 2di9 s VAL 68 Cb -0.14 -4.60 0.20 0.00 0.00 0.00 0.00 36.38 31.84 2di9 s VAL 68 CO -0.02 -1.12 2.10 -0.62 0.00 0.00 0.00 175.10 175.44 2di9 n GLU 69 N 7.84 1.88 -1.81 2.72 -0.58 -0.40 -4.93 120.64 125.36 2di9 n GLU 69 Ca 0.07 -1.68 -0.29 0.00 -0.42 0.00 0.00 57.16 54.84 2di9 n GLU 69 Cb 0.49 -1.68 0.10 0.00 -0.57 0.00 0.00 31.44 29.77 2di9 n GLU 69 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 2di9 s GLY 70 N 0.15 1.59 0.47 0.62 0.00 -1.26 -4.34 107.32 104.55 2di9 s GLY 70 Ca 0.35 -0.63 0.31 0.00 0.00 0.00 0.00 44.72 44.75 2di9 s GLY 70 CO -0.02 -0.12 1.91 -0.56 0.00 0.00 0.00 173.10 174.31 2di9 h PRO 71 N -1.17 0.00 -5.12 2.90 0.13 -1.93 -3.45 132.00 123.36 2di9 h PRO 71 Ca -0.47 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.04 2di9 h PRO 71 Cb 1.33 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.33 2di9 h PRO 71 CO 0.65 0.00 -0.51 0.00 -0.23 0.00 0.00 178.00 177.90 2di9 s GLU 73 N -3.78 3.21 -0.07 0.00 2.12 -1.26 -4.99 118.70 113.92 2di9 s GLU 73 Ca 0.15 -1.73 -0.10 0.00 0.36 0.00 0.00 54.97 53.65 2di9 s GLU 73 Cb 0.02 -4.38 -0.05 0.00 0.26 0.00 0.00 34.13 29.99 2di9 s GLU 73 CO 0.09 -1.45 0.24 0.00 -0.54 0.00 0.00 175.26 173.60 2di9 s ALA 74 N 1.82 3.81 0.45 6.30 0.00 -1.26 -4.95 121.76 127.94 2di9 s ALA 74 Ca 0.13 -0.48 -0.22 0.00 0.00 0.00 0.00 51.96 51.38 2di9 s ALA 74 Cb -0.21 -2.13 -0.08 0.00 0.00 0.00 0.00 23.12 20.71 2di9 s ALA 74 CO 0.00 0.57 1.08 0.21 0.00 0.00 0.00 175.76 177.63 2di9 s LYS 75 N -1.07 3.91 -0.07 0.00 2.20 -1.24 -4.91 119.74 118.56 2di9 s LYS 75 Ca 0.19 1.55 -0.01 0.00 -0.36 0.00 0.00 55.97 57.34 2di9 s LYS 75 Cb -0.14 -2.35 0.03 0.00 -1.51 0.00 0.00 37.83 33.85 2di9 s LYS 75 CO 0.08 -0.37 -0.02 0.42 -0.36 0.00 0.00 175.35 175.09 2di9 s ILE 76 N -1.72 0.54 -0.34 5.43 1.01 -1.26 -2.50 121.20 122.35 2di9 s ILE 76 Ca 0.63 -0.00 -0.00 0.00 0.00 0.00 0.00 60.65 61.27 2di9 s ILE 76 Cb -0.22 -0.64 0.08 0.00 0.01 0.00 0.00 42.46 41.69 2di9 s ILE 76 CO 0.27 0.28 0.07 -1.61 0.00 0.00 0.00 174.94 173.95 2di9 s GLU 77 N 1.72 2.01 -0.23 2.79 2.02 -0.72 -5.00 118.70 121.30 2di9 s GLU 77 Ca 0.02 -1.62 -0.13 0.00 0.02 0.00 0.00 54.97 53.25 2di9 s GLU 77 Cb -0.13 -3.29 -0.04 0.00 0.10 0.00 0.00 34.13 30.77 2di9 s GLU 77 CO -0.05 -0.85 0.29 0.00 0.02 0.00 0.00 175.26 174.67 2di9 s SER 79 N 1.13 1.61 0.63 0.00 0.15 -1.26 -4.99 113.70 110.96 2di9 s SER 79 Ca 0.13 -0.12 -0.17 0.00 0.70 0.00 0.00 55.95 56.50 2di9 s SER 79 Cb -0.14 -0.37 -0.02 0.00 -1.71 0.00 0.00 66.02 63.78 2di9 s SER 79 CO 0.07 -0.22 1.15 -1.81 1.20 0.00 0.00 173.24 173.62 2di9 s ASP 80 N 2.02 5.15 -0.21 5.45 1.01 -1.26 -2.04 116.67 126.78 2di9 s ASP 80 Ca 0.04 2.16 -0.19 0.00 0.71 0.00 0.00 52.55 55.28 2di9 s ASP 80 Cb -0.13 -2.57 -0.15 0.00 1.01 0.00 0.00 42.92 41.08 2di9 s ASP 80 CO -0.05 -1.61 0.05 0.59 0.21 0.00 0.00 175.17 174.36 2di9 n ASN 81 N -2.03 1.87 0.00 0.27 3.02 -1.10 -4.87 115.26 112.42 2di9 n ASN 81 Ca 0.12 0.44 0.00 0.00 -0.03 0.00 0.00 54.58 55.10 2di9 n ASN 81 Cb 0.51 -0.92 0.00 0.00 -0.61 0.00 0.00 39.78 38.76 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 1.43 1.42 0.01 7.41 0.00 -1.26 -4.95 105.19 109.24 2di9 n GLY 82 Ca -0.32 0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.81 2di9 n GLY 82 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2di9 n ASP 83 N 0.00 0.49 0.00 1.61 -0.08 -1.26 -4.94 116.55 112.36 2di9 n ASP 83 Ca 0.00 -0.40 0.00 0.00 -1.51 0.00 0.00 54.79 52.88 2di9 n ASP 83 Cb 0.00 1.41 0.00 0.00 2.34 0.00 0.00 41.12 44.87 2di9 n ASP 83 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2di9 n GLY 84 N 1.37 1.36 3.14 0.27 0.00 -1.26 -4.95 105.19 105.11 2di9 n GLY 84 Ca -0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 2di9 n GLY 84 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2di9 n THR 85 N 0.00 0.00 -3.99 2.61 -2.24 -1.26 -2.69 114.28 106.72 2di9 n THR 85 Ca 0.00 -2.30 -0.12 0.00 -2.27 0.00 0.00 64.05 59.36 2di9 n THR 85 Cb 0.00 0.99 -0.13 0.00 -2.10 0.00 0.00 70.33 69.10 2di9 n THR 85 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2di9 n SER 87 N 2.26 4.05 -4.70 0.00 7.64 -0.87 -3.84 113.62 118.17 2di9 n SER 87 Ca -0.18 -3.52 -0.42 0.00 1.01 0.00 0.00 58.87 55.76 2di9 n SER 87 Cb 0.57 -0.66 -0.03 0.00 -1.01 0.00 0.00 64.21 63.09 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 -3.04 4.49 -0.10 0.44 1.01 -1.26 -4.08 120.40 117.85 2di9 s VAL 88 Ca 0.42 1.78 0.03 0.00 0.00 0.00 0.00 61.98 64.21 2di9 s VAL 88 Cb 0.18 -4.15 0.01 0.00 0.00 0.00 0.00 36.38 32.43 2di9 s VAL 88 CO -0.04 0.08 -0.17 -0.94 0.00 0.00 0.00 175.10 174.03 2di9 s SER 89 N 1.15 2.46 0.09 3.32 1.04 -0.76 -3.48 113.70 117.53 2di9 s SER 89 Ca 0.54 -0.44 0.09 0.00 0.48 0.00 0.00 55.95 56.62 2di9 s SER 89 Cb -0.24 -1.12 -0.04 0.00 0.10 0.00 0.00 66.02 64.73 2di9 s SER 89 CO 0.25 0.06 -0.22 -0.72 0.98 0.00 0.00 173.24 173.60 2di9 s TYR 90 N 0.70 2.45 -0.28 5.02 -0.85 -0.46 -1.75 117.35 122.18 2di9 s TYR 90 Ca -0.12 -0.32 -0.01 0.00 -0.52 0.00 0.00 57.07 56.10 2di9 s TYR 90 Cb -0.16 -1.36 0.05 0.00 0.38 0.00 0.00 41.96 40.87 2di9 s TYR 90 CO 0.03 0.30 -0.04 -0.51 -1.52 0.00 0.00 175.55 173.81 2di9 s LEU 91 N -1.81 3.61 1.13 -3.49 1.43 -1.04 -0.89 118.68 117.62 2di9 s LEU 91 Ca 0.15 -1.21 -0.17 0.00 -1.03 0.00 0.00 54.13 51.87 2di9 s LEU 91 Cb -0.10 -1.66 0.25 0.00 0.03 0.00 0.00 46.19 44.71 2di9 s LEU 91 CO 0.07 -0.21 1.10 -2.16 0.23 0.00 0.00 176.35 175.38 2di9 s PRO 92 N 1.23 -0.65 0.00 1.29 0.04 -1.26 -3.67 135.00 131.98 2di9 s PRO 92 Ca -0.05 0.14 0.00 0.00 0.04 0.00 0.00 61.00 61.13 2di9 s PRO 92 Cb -0.19 -1.65 0.00 0.00 0.04 0.00 0.00 34.50 32.70 2di9 s PRO 92 CO -0.03 -3.37 0.00 0.25 0.04 0.00 0.00 177.00 173.89 2di9 n THR 93 N -4.56 0.00 -4.05 1.26 -2.24 -1.26 -3.69 114.28 99.74 2di9 n THR 93 Ca 0.10 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.78 2di9 n THR 93 Cb 0.59 -0.35 -0.11 0.00 -2.10 0.00 0.00 70.33 68.36 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 -1.64 0.51 0.02 -0.78 -2.85 -1.26 -4.74 119.74 109.00 2di9 s LYS 94 Ca 0.00 -0.88 -0.30 0.00 -1.00 0.00 0.00 55.97 53.79 2di9 s LYS 94 Cb 0.00 -0.03 -0.06 0.00 -2.06 0.00 0.00 37.83 35.68 2di9 s LYS 94 CO 0.00 -0.03 1.43 -1.25 0.10 0.00 0.00 175.35 175.61 2di9 s PRO 95 N -2.33 4.27 0.00 1.78 0.04 -1.26 -4.80 135.00 132.71 2di9 s PRO 95 Ca -0.06 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.01 2di9 s PRO 95 Cb -0.04 -3.55 0.00 0.00 0.04 0.00 0.00 34.50 30.94 2di9 s PRO 95 CO -0.03 -0.59 0.00 0.41 0.04 0.00 0.00 177.00 176.83 2di9 n GLY 96 N 3.68 -0.42 3.27 0.56 0.00 -1.24 -5.02 105.19 106.02 2di9 n GLY 96 Ca 0.13 0.61 -0.12 0.00 0.00 0.00 0.00 46.02 46.64 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 2.55 0.43 -0.18 1.61 1.03 -1.26 -2.88 118.70 120.00 2di9 s GLU 97 Ca 0.00 0.63 0.01 0.00 0.03 0.00 0.00 54.97 55.64 2di9 s GLU 97 Cb 0.00 0.12 0.04 0.00 -0.80 0.00 0.00 34.13 33.49 2di9 s GLU 97 CO 0.00 -0.09 -0.11 0.71 -1.33 0.00 0.00 175.26 174.43 2di9 s TYR 98 N 0.66 2.32 -0.28 4.83 1.51 -1.06 -4.21 117.35 121.11 2di9 s TYR 98 Ca -0.04 -1.46 -0.21 0.00 -1.01 0.00 0.00 57.07 54.36 2di9 s TYR 98 Cb -0.05 -1.62 -0.01 0.00 -0.11 0.00 0.00 41.96 40.17 2di9 s TYR 98 CO -0.04 -0.72 0.65 -0.06 -1.11 0.00 0.00 175.55 174.27 2di9 s PHE 99 N 1.43 3.25 -0.54 2.71 0.40 -1.26 -2.02 117.98 121.95 2di9 s PHE 99 Ca 0.01 0.72 -0.19 0.00 -0.60 0.00 0.00 56.93 56.87 2di9 s PHE 99 Cb -0.15 -2.94 0.07 0.00 0.51 0.00 0.00 43.02 40.51 2di9 s PHE 99 CO -0.09 -0.41 0.67 0.08 0.70 0.00 0.00 175.22 176.17 2di9 s VAL 100 N 2.59 4.82 -0.66 -0.44 1.01 -1.22 -1.27 120.40 125.24 2di9 s VAL 100 Ca 0.26 -0.61 -0.28 0.00 0.00 0.00 0.00 61.98 61.36 2di9 s VAL 100 Cb -0.15 -4.38 0.03 0.00 0.00 0.00 0.00 36.38 31.88 2di9 s VAL 100 CO 0.10 -0.94 1.27 0.20 0.00 0.00 0.00 175.10 175.73 2di9 s ASN 101 N 3.01 6.25 -0.37 3.32 0.01 -0.93 -2.23 114.94 124.00 2di9 s ASN 101 Ca 0.15 -0.15 -0.12 0.00 -0.71 0.00 0.00 52.86 52.03 2di9 s ASN 101 Cb -0.20 -2.56 0.02 0.00 0.41 0.00 0.00 41.25 38.92 2di9 s ASN 101 CO 0.10 -1.70 0.23 -0.63 -1.51 0.00 0.00 177.10 173.60 2di9 s ILE 102 N 5.53 4.84 -0.06 0.60 1.01 -1.26 -2.98 121.20 128.88 2di9 s ILE 102 Ca 0.40 -0.70 0.01 0.00 0.00 0.00 0.00 60.65 60.37 2di9 s ILE 102 Cb -0.08 -3.66 0.02 0.00 0.01 0.00 0.00 42.46 38.75 2di9 s ILE 102 CO 0.20 -0.20 -0.08 -1.48 0.00 0.00 0.00 174.94 173.38 2di9 s LEU 103 N 1.61 1.39 -0.40 2.97 0.05 -0.90 -1.37 118.68 122.02 2di9 s LEU 103 Ca 0.04 -0.21 -0.15 0.00 0.05 0.00 0.00 54.13 53.85 2di9 s LEU 103 Cb -0.19 -0.64 0.02 0.00 -2.05 0.00 0.00 46.19 43.33 2di9 s LEU 103 CO 0.08 -0.04 0.30 0.12 -0.55 0.00 0.00 176.35 176.26 2di9 s PHE 104 N 0.98 3.24 -1.21 3.48 5.36 0.17 -0.24 117.98 129.76 2di9 s PHE 104 Ca -0.09 -0.54 -0.05 0.00 -0.96 0.00 0.00 56.93 55.29 2di9 s PHE 104 Cb -0.15 -2.59 0.01 0.00 -0.34 0.00 0.00 43.02 39.95 2di9 s PHE 104 CO 0.00 -0.57 1.04 0.39 -1.46 0.00 0.00 175.22 174.62 2di9 n GLU 105 N 5.17 -6.95 -1.99 10.12 1.02 0.44 -2.05 120.64 126.40 2di9 n GLU 105 Ca -0.11 0.79 -0.09 0.00 -0.02 0.00 0.00 57.16 57.73 2di9 n GLU 105 Cb 0.47 -5.69 -0.01 0.00 -0.02 0.00 0.00 31.44 26.20 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 -4.39 -0.73 -3.86 3.49 1.02 -1.26 -5.01 120.64 109.89 2di9 n GLU 106 Ca -0.12 0.54 -0.28 0.00 -0.02 0.00 0.00 57.16 57.27 2di9 n GLU 106 Cb 0.60 -4.54 -0.16 0.00 -0.02 0.00 0.00 31.44 27.32 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 -2.45 1.05 0.10 2.62 1.01 -0.87 -5.10 120.40 116.77 2di9 s VAL 107 Ca 0.00 -0.75 -0.31 0.00 0.00 0.00 0.00 61.98 60.92 2di9 s VAL 107 Cb 0.00 -1.34 -0.09 0.00 0.00 0.00 0.00 36.38 34.95 2di9 s VAL 107 CO 0.00 -0.02 1.72 -1.00 0.00 0.00 0.00 175.10 175.80 2di9 s HIS 108 N 1.64 2.37 0.53 5.22 3.76 -1.26 0.45 115.29 128.00 2di9 s HIS 108 Ca -0.01 0.21 -0.18 0.00 -0.15 0.00 0.00 55.06 54.92 2di9 s HIS 108 Cb -0.17 -4.05 -0.07 0.00 1.11 0.00 0.00 32.58 29.40 2di9 s HIS 108 CO -0.07 -4.25 1.04 0.96 -0.85 0.00 0.00 174.74 171.57 2di9 s ILE 109 N 2.52 3.88 -1.04 0.60 -4.36 -0.47 -4.91 121.20 117.43 2di9 s ILE 109 Ca 0.76 1.03 -0.24 0.00 -0.26 0.00 0.00 60.65 61.95 2di9 s ILE 109 Cb -0.43 -3.45 -0.07 0.00 1.25 0.00 0.00 42.46 39.76 2di9 s ILE 109 CO 0.34 -0.38 1.94 -2.16 0.24 0.00 0.00 174.94 174.92 2di9 s PRO 110 N -3.63 2.52 0.00 0.37 0.04 -1.26 -2.40 135.00 130.64 2di9 s PRO 110 Ca 0.65 -0.71 0.00 0.00 0.04 0.00 0.00 61.00 60.98 2di9 s PRO 110 Cb -0.15 -5.15 0.00 0.00 0.04 0.00 0.00 34.50 29.24 2di9 s PRO 110 CO 0.27 -3.67 0.00 0.41 0.04 0.00 0.00 177.00 174.05 2di9 n GLY 111 N 6.35 0.23 3.84 0.56 0.00 -1.26 -5.08 105.19 109.83 2di9 n GLY 111 Ca 0.42 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.19 2di9 n GLY 111 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2di9 s SER 112 N 0.00 5.72 0.69 1.61 0.15 -1.01 -4.00 113.70 116.87 2di9 s SER 112 Ca 0.00 -0.06 -0.14 0.00 0.70 0.00 0.00 55.95 56.45 2di9 s SER 112 Cb 0.00 -1.56 0.02 0.00 -1.71 0.00 0.00 66.02 62.77 2di9 s SER 112 CO 0.00 0.06 1.11 -2.16 1.20 0.00 0.00 173.24 173.44 2di9 s PRO 113 N -3.19 2.64 -0.64 5.44 0.04 -1.26 -4.86 135.00 133.17 2di9 s PRO 113 Ca 0.32 1.33 -0.14 0.00 0.04 0.00 0.00 61.00 62.56 2di9 s PRO 113 Cb -0.10 -1.93 0.16 0.00 0.04 0.00 0.00 34.50 32.67 2di9 s PRO 113 CO 0.25 -1.36 0.57 -0.06 0.04 0.00 0.00 177.00 176.44 2di9 s PHE 114 N -2.49 3.47 -0.03 0.56 0.40 -0.95 -4.80 117.98 114.16 2di9 s PHE 114 Ca 0.65 -1.72 -0.32 0.00 -0.60 0.00 0.00 56.93 54.95 2di9 s PHE 114 Cb -0.20 -3.73 -0.10 0.00 0.51 0.00 0.00 43.02 39.50 2di9 s PHE 114 CO 0.45 -0.99 1.96 1.17 0.70 0.00 0.00 175.22 178.51 2di9 n LYS 115 N 4.63 2.56 -3.97 0.44 4.81 -1.26 -3.37 118.16 121.99 2di9 n LYS 115 Ca -0.02 0.93 -0.33 0.00 -0.87 0.00 0.00 58.31 58.03 2di9 n LYS 115 Cb 0.43 -2.88 -0.14 0.00 0.02 0.00 0.00 35.03 32.45 2di9 n LYS 115 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2di9 s ALA 116 N 4.53 2.86 -0.31 3.14 0.00 -0.86 -4.79 121.76 126.33 2di9 s ALA 116 Ca 0.91 -2.26 -0.29 0.00 0.00 0.00 0.00 51.96 50.32 2di9 s ALA 116 Cb -0.53 -1.96 -0.01 0.00 0.00 0.00 0.00 23.12 20.62 2di9 s ALA 116 CO 0.46 -1.54 1.47 -0.51 0.00 0.00 0.00 175.76 175.63 2di9 s ASP 117 N 1.16 6.41 -0.08 0.00 1.01 -1.24 -2.57 116.67 121.36 2di9 s ASP 117 Ca 0.04 1.23 -0.21 0.00 0.71 0.00 0.00 52.55 54.31 2di9 s ASP 117 Cb -0.20 -2.54 -0.04 0.00 1.01 0.00 0.00 42.92 41.15 2di9 s ASP 117 CO -0.06 -1.30 0.60 -0.63 0.21 0.00 0.00 175.17 174.00 2di9 s ILE 118 N 5.17 5.10 0.21 0.77 -1.09 -1.14 -3.96 121.20 126.26 2di9 s ILE 118 Ca 0.64 1.23 0.06 0.00 -2.23 0.00 0.00 60.65 60.36 2di9 s ILE 118 Cb -0.19 -3.94 -0.04 0.00 -1.58 0.00 0.00 42.46 36.71 2di9 s ILE 118 CO 0.29 0.29 0.15 -1.61 -1.23 0.00 0.00 174.94 172.83 2di9 s GLU 119 N 0.68 2.86 0.28 2.79 2.02 -0.92 -3.61 118.70 122.80 2di9 s GLU 119 Ca 0.32 -1.00 -0.28 0.00 0.02 0.00 0.00 54.97 54.03 2di9 s GLU 119 Cb -0.17 -2.57 -0.09 0.00 0.10 0.00 0.00 34.13 31.40 2di9 s GLU 119 CO 0.15 0.43 0.96 -1.64 0.02 0.00 0.00 175.26 175.19 2di9 s MET 120 N -3.50 4.71 0.66 1.61 -1.94 -1.26 -2.62 119.30 116.95 2di9 s MET 120 Ca 0.32 1.47 -0.15 0.00 -1.71 0.00 0.00 55.69 55.62 2di9 s MET 120 Cb -0.09 -3.07 0.00 0.00 2.01 0.00 0.00 34.83 33.68 2di9 s MET 120 CO 0.24 0.37 1.11 -1.25 -0.01 0.00 0.00 175.02 175.48 2di9 s PRO 121 N -1.57 2.77 -0.11 2.03 0.04 -1.26 -4.91 135.00 131.99 2di9 s PRO 121 Ca 0.45 1.38 -0.04 0.00 0.04 0.00 0.00 61.00 62.82 2di9 s PRO 121 Cb -0.24 -1.95 0.05 0.00 0.04 0.00 0.00 34.50 32.41 2di9 s PRO 121 CO 0.30 -1.27 0.22 0.12 0.04 0.00 0.00 177.00 176.41 2di9 s PHE 122 N -2.37 -0.32 -0.72 0.56 5.36 -1.26 -5.08 117.98 114.15 2di9 s PHE 122 Ca 0.67 0.79 -0.07 0.00 -0.96 0.00 0.00 56.93 57.35 2di9 s PHE 122 Cb -0.20 -0.06 0.19 0.00 -0.34 0.00 0.00 43.02 42.61 2di9 s PHE 122 CO 0.42 -0.28 0.59 -0.51 -1.46 0.00 0.00 175.22 173.98 2di9 s ASP 123 N 1.89 5.87 0.00 6.13 1.01 -1.26 -4.90 116.67 125.41 2di9 s ASP 123 Ca -0.03 -2.83 0.14 0.00 0.71 0.00 0.00 52.55 50.55 2di9 s ASP 123 Cb -0.11 -2.00 0.67 0.00 1.01 0.00 0.00 42.92 42.48 2di9 s ASP 123 CO -0.08 -0.44 1.43 -0.81 0.21 0.00 0.00 175.17 175.48 2di9 n PRO 124 N 3.63 0.09 -1.12 8.23 -0.04 -1.26 -4.86 135.00 139.67 2di9 n PRO 124 Ca 0.11 0.21 -0.37 0.00 -0.04 0.00 0.00 63.50 63.41 2di9 n PRO 124 Cb 0.41 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.41 2di9 n PRO 124 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2di9 n SER 125 N -1.41 -4.23 -4.41 3.54 2.88 -1.26 -5.00 113.62 103.73 2di9 n SER 125 Ca 0.05 0.42 -0.21 0.00 -1.33 0.00 0.00 58.87 57.81 2di9 n SER 125 Cb 0.15 -0.89 -0.10 0.00 -0.75 0.00 0.00 64.21 62.61 2di9 n SER 125 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2di9 s SER 126 N -1.13 2.73 0.00 -3.46 0.01 -1.26 -5.06 113.70 105.53 2di9 s SER 126 Ca 0.51 -1.16 0.00 0.00 1.31 0.00 0.00 55.95 56.61 2di9 s SER 126 Cb -0.32 -0.16 0.00 0.00 0.21 0.00 0.00 66.02 65.75 2di9 s SER 126 CO 0.72 -0.31 0.00 0.61 0.41 0.00 0.00 173.24 174.68 2di9 n GLY 127 N -0.55 -2.01 0.06 3.44 0.00 -1.26 -5.01 105.19 99.86 2di9 n GLY 127 Ca -0.06 0.79 -0.13 0.00 0.00 0.00 0.00 46.02 46.62 2di9 n GLY 127 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2di9 h PRO 128 N 0.00 0.02 -0.34 1.61 0.13 -1.97 -2.62 132.00 128.83 2di9 h PRO 128 Ca 0.00 -0.01 0.05 0.00 -0.87 0.00 0.00 66.00 65.17 2di9 h PRO 128 Cb 0.00 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 31.05 2di9 h PRO 128 CO 0.00 0.50 -0.50 0.77 -0.23 0.00 0.00 178.00 178.54 2di9 h SER 129 N -0.46 -1.65 0.69 1.44 0.02 -1.97 -2.67 113.55 108.95 2di9 h SER 129 Ca 0.00 0.22 -0.03 0.00 -0.84 0.00 0.00 61.79 61.15 2di9 h SER 129 Cb 0.50 0.69 -0.01 0.00 0.14 0.00 0.00 62.40 63.71 2di9 h SER 129 CO 0.00 -0.41 -0.50 -1.28 -1.14 0.00 0.00 176.83 173.51 2di9 h SER 130 N -0.41 -1.30 0.00 3.07 0.87 -1.96 -3.54 113.55 110.27 2di9 h SER 130 Ca 0.09 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.73 2di9 h SER 130 Cb 0.61 0.40 0.00 0.00 -0.44 0.00 0.00 62.40 62.97 2di9 h SER 130 CO -0.55 -0.73 0.00 0.61 -0.53 0.00 0.00 176.83 175.63