#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 -0.17 0.04 1.61 0.01 -1.26 -5.19 113.70 108.74 2di9 s SER 2 Ca 0.00 0.02 -0.28 0.00 1.31 0.00 0.00 55.95 57.00 2di9 s SER 2 Cb 0.00 0.17 0.10 0.00 0.21 0.00 0.00 66.02 66.50 2di9 s SER 2 CO 0.00 -0.28 1.20 -0.55 0.41 0.00 0.00 173.24 174.03 2di9 s SER 3 N -2.13 -0.04 0.00 2.44 0.15 -1.26 -5.19 113.70 107.67 2di9 s SER 3 Ca 0.08 -0.29 0.00 0.00 0.70 0.00 0.00 55.95 56.44 2di9 s SER 3 Cb -0.01 0.26 0.00 0.00 -1.71 0.00 0.00 66.02 64.56 2di9 s SER 3 CO -0.05 -0.50 0.00 0.61 1.20 0.00 0.00 173.24 174.50 2di9 n GLY 4 N -0.67 2.29 3.48 9.45 0.00 -1.26 -5.19 105.19 113.29 2di9 n GLY 4 Ca -0.03 -0.91 -0.15 0.00 0.00 0.00 0.00 46.02 44.93 2di9 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2di9 s SER 5 N 0.12 0.91 0.28 1.61 0.15 -1.26 -5.19 113.70 110.33 2di9 s SER 5 Ca 0.00 -1.48 -0.00 0.00 0.70 0.00 0.00 55.95 55.17 2di9 s SER 5 Cb 0.00 0.65 -0.02 0.00 -1.71 0.00 0.00 66.02 64.94 2di9 s SER 5 CO 0.00 -1.27 0.31 -0.94 1.20 0.00 0.00 173.24 172.54 2di9 s SER 6 N -3.24 0.79 0.00 5.45 1.04 -1.26 -5.16 113.70 111.33 2di9 s SER 6 Ca 0.31 -1.47 0.00 0.00 0.48 0.00 0.00 55.95 55.27 2di9 s SER 6 Cb -0.00 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.66 2di9 s SER 6 CO 0.20 -1.07 0.00 0.61 0.98 0.00 0.00 173.24 173.96 2di9 n GLY 7 N -0.47 4.25 3.82 7.32 0.00 -1.26 -5.19 105.19 113.65 2di9 n GLY 7 Ca 0.03 -0.84 -0.03 0.00 0.00 0.00 0.00 46.02 45.18 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 -0.06 -0.03 1.61 2.15 -1.26 -5.17 116.67 113.90 2di9 s ASP 8 Ca 0.00 -0.53 0.07 0.00 0.43 0.00 0.00 52.55 52.52 2di9 s ASP 8 Cb 0.00 0.47 -0.02 0.00 -0.30 0.00 0.00 42.92 43.07 2di9 s ASP 8 CO 0.00 -0.90 -0.25 -0.69 -0.17 0.00 0.00 175.17 173.16 2di9 s VAL 9 N -2.59 2.01 0.02 1.11 1.01 -1.26 -5.13 120.40 115.57 2di9 s VAL 9 Ca 0.18 -1.07 -0.07 0.00 0.00 0.00 0.00 61.98 61.02 2di9 s VAL 9 Cb -0.02 -1.68 -0.00 0.00 0.00 0.00 0.00 36.38 34.68 2di9 s VAL 9 CO 0.03 0.57 0.13 0.42 0.00 0.00 0.00 175.10 176.25 2di9 s THR 10 N -0.43 0.10 -0.29 3.92 -4.23 -1.26 -5.16 115.64 108.29 2di9 s THR 10 Ca 0.05 -0.84 -0.23 0.00 -1.18 0.00 0.00 61.69 59.49 2di9 s THR 10 Cb -0.11 -0.63 0.15 0.00 1.34 0.00 0.00 72.50 73.25 2di9 s THR 10 CO 0.01 -0.46 1.15 -0.47 -0.54 0.00 0.00 174.62 174.30 2di9 s TYR 11 N -1.91 -0.35 -0.26 3.99 6.14 -1.26 -5.18 117.35 118.53 2di9 s TYR 11 Ca -0.11 0.81 -0.27 0.00 0.64 0.00 0.00 57.07 58.14 2di9 s TYR 11 Cb -0.05 0.37 0.15 0.00 0.42 0.00 0.00 41.96 42.85 2di9 s TYR 11 CO -0.01 -0.17 1.17 0.16 0.64 0.00 0.00 175.55 177.34 2di9 s ASP 12 N 0.46 -0.28 0.00 4.32 1.47 -1.26 -5.18 116.67 116.20 2di9 s ASP 12 Ca 0.01 0.47 0.00 0.00 1.18 0.00 0.00 52.55 54.21 2di9 s ASP 12 Cb -0.05 0.45 0.00 0.00 -0.34 0.00 0.00 42.92 42.98 2di9 s ASP 12 CO -0.11 -0.14 0.00 0.61 0.68 0.00 0.00 175.17 176.21 2di9 n GLY 13 N 1.52 -0.62 3.73 2.12 0.00 -1.26 -5.15 105.19 105.53 2di9 n GLY 13 Ca -0.10 -0.56 -0.36 0.00 0.00 0.00 0.00 46.02 45.00 2di9 n GLY 13 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2di9 s HIS 14 N -3.33 2.10 0.58 1.61 -3.43 -1.26 -4.97 115.29 106.59 2di9 s HIS 14 Ca 0.00 1.52 -0.18 0.00 -0.80 0.00 0.00 55.06 55.60 2di9 s HIS 14 Cb 0.00 -3.62 -0.04 0.00 -1.43 0.00 0.00 32.58 27.49 2di9 s HIS 14 CO 0.00 -2.77 1.12 -1.25 -2.00 0.00 0.00 174.74 169.84 2di9 s PRO 15 N -3.49 3.19 0.23 -0.38 0.04 -1.26 -5.02 135.00 128.31 2di9 s PRO 15 Ca 0.80 1.54 -0.22 0.00 0.04 0.00 0.00 61.00 63.17 2di9 s PRO 15 Cb -0.35 -1.99 -0.09 0.00 0.04 0.00 0.00 34.50 32.12 2di9 s PRO 15 CO 0.40 -0.96 0.77 0.14 0.04 0.00 0.00 177.00 177.39 2di9 s VAL 16 N -1.95 4.48 0.77 -0.36 -7.23 -1.26 -5.06 120.40 109.79 2di9 s VAL 16 Ca 0.71 1.44 -0.11 0.00 -1.81 0.00 0.00 61.98 62.21 2di9 s VAL 16 Cb -0.23 -3.92 0.05 0.00 0.56 0.00 0.00 36.38 32.85 2di9 s VAL 16 CO 0.31 0.23 1.09 -2.16 -0.31 0.00 0.00 175.10 174.27 2di9 s PRO 17 N -1.89 2.28 0.00 4.82 0.04 -1.26 -5.07 135.00 133.91 2di9 s PRO 17 Ca 0.43 1.18 0.00 0.00 0.04 0.00 0.00 61.00 62.66 2di9 s PRO 17 Cb -0.18 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.46 2di9 s PRO 17 CO 0.22 -1.63 0.00 0.41 0.04 0.00 0.00 177.00 176.04 2di9 n GLY 18 N -1.16 0.78 3.92 0.56 0.00 -1.26 -4.93 105.19 103.10 2di9 n GLY 18 Ca 0.09 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.86 2di9 n GLY 18 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2di9 n SER 19 N 0.00 -0.54 0.12 1.61 2.88 -1.26 -4.83 113.62 111.60 2di9 n SER 19 Ca 0.00 -0.97 0.11 0.00 -1.33 0.00 0.00 58.87 56.68 2di9 n SER 19 Cb 0.00 -3.22 0.47 0.00 -0.75 0.00 0.00 64.21 60.71 2di9 n SER 19 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2di9 n PRO 20 N -4.38 0.18 -0.93 -1.46 -0.04 -1.26 -3.45 135.00 123.65 2di9 n PRO 20 Ca -0.30 0.41 -0.13 0.00 -0.04 0.00 0.00 63.50 63.44 2di9 n PRO 20 Cb 0.68 -1.84 -0.03 0.00 -0.04 0.00 0.00 33.50 32.27 2di9 n PRO 20 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2di9 n TYR 21 N -2.17 0.84 -3.27 0.54 4.01 -1.26 -4.92 117.16 110.93 2di9 n TYR 21 Ca 0.02 -1.62 -0.32 0.00 -0.16 0.00 0.00 57.90 55.82 2di9 n TYR 21 Cb 0.22 -1.05 -0.06 0.00 -0.31 0.00 0.00 39.34 38.14 2di9 n TYR 21 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 2di9 s THR 22 N -1.02 4.79 -0.08 -0.72 2.01 -1.22 -5.02 115.64 114.38 2di9 s THR 22 Ca 0.36 0.74 -0.30 0.00 0.31 0.00 0.00 61.69 62.80 2di9 s THR 22 Cb 0.22 -3.62 -0.05 0.00 0.01 0.00 0.00 72.50 69.06 2di9 s THR 22 CO -0.05 -0.11 1.63 0.68 -0.69 0.00 0.00 174.62 176.08 2di9 s VAL 23 N -1.89 3.63 -0.79 3.82 -7.23 -1.26 -4.90 120.40 111.78 2di9 s VAL 23 Ca 0.50 0.76 -0.02 0.00 -1.81 0.00 0.00 61.98 61.41 2di9 s VAL 23 Cb -0.11 -3.51 0.37 0.00 0.56 0.00 0.00 36.38 33.69 2di9 s VAL 23 CO 0.19 -0.09 1.98 -1.84 -0.31 0.00 0.00 175.10 175.03 2di9 n GLU 24 N 7.19 2.78 -5.02 4.82 0.28 -1.26 -4.94 120.64 124.49 2di9 n GLU 24 Ca 0.17 -3.53 -0.29 0.00 -0.16 0.00 0.00 57.16 53.36 2di9 n GLU 24 Cb 0.43 -2.27 -0.16 0.00 1.43 0.00 0.00 31.44 30.86 2di9 n GLU 24 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2di9 s ALA 25 N -4.00 1.82 -1.27 -1.84 0.00 -1.26 -4.75 121.76 110.45 2di9 s ALA 25 Ca 0.54 -0.82 -0.01 0.00 0.00 0.00 0.00 51.96 51.67 2di9 s ALA 25 Cb 0.45 -0.63 0.00 0.00 0.00 0.00 0.00 23.12 22.95 2di9 s ALA 25 CO -0.33 0.30 0.87 0.43 0.00 0.00 0.00 175.76 177.04 2di9 n SER 26 N 3.24 -2.01 -4.79 0.00 7.64 -1.26 -4.96 113.62 111.47 2di9 n SER 26 Ca -0.19 -0.71 -0.37 0.00 1.01 0.00 0.00 58.87 58.61 2di9 n SER 26 Cb 0.52 -4.58 -0.06 0.00 -1.01 0.00 0.00 64.21 59.08 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 -6.60 4.37 0.50 -3.43 1.43 -1.26 -5.02 118.68 108.67 2di9 s LEU 27 Ca 0.07 1.65 -0.21 0.00 -1.03 0.00 0.00 54.13 54.61 2di9 s LEU 27 Cb -0.03 -3.78 -0.07 0.00 0.03 0.00 0.00 46.19 42.35 2di9 s LEU 27 CO 0.77 -0.00 1.15 -2.16 0.23 0.00 0.00 176.35 176.34 2di9 s PRO 28 N -1.94 3.54 -0.02 1.29 0.04 -1.26 -2.54 135.00 134.12 2di9 s PRO 28 Ca 0.46 1.69 -0.30 0.00 0.04 0.00 0.00 61.00 62.88 2di9 s PRO 28 Cb -0.18 -2.19 -0.05 0.00 0.04 0.00 0.00 34.50 32.11 2di9 s PRO 28 CO 0.23 -0.71 1.46 -1.25 0.04 0.00 0.00 177.00 176.77 2di9 s PRO 29 N -3.02 4.25 -0.38 0.56 0.04 -1.25 -3.64 135.00 131.56 2di9 s PRO 29 Ca 0.69 2.02 0.01 0.00 0.04 0.00 0.00 61.00 63.75 2di9 s PRO 29 Cb -0.26 -3.66 0.12 0.00 0.04 0.00 0.00 34.50 30.74 2di9 s PRO 29 CO 0.30 -0.65 0.17 -0.51 0.04 0.00 0.00 177.00 176.35 2di9 s ASP 30 N 2.19 3.83 0.46 6.66 1.01 0.29 -4.96 116.67 126.15 2di9 s ASP 30 Ca 0.66 -2.17 0.25 0.00 0.71 0.00 0.00 52.55 52.00 2di9 s ASP 30 Cb -0.32 -0.96 1.06 0.00 1.01 0.00 0.00 42.92 43.72 2di9 s ASP 30 CO 0.27 -0.34 1.89 1.55 0.21 0.00 0.00 175.17 178.75 2di9 h PRO 31 N 7.36 0.00 0.00 8.23 0.13 -1.87 -2.67 132.00 143.18 2di9 h PRO 31 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 2di9 h PRO 31 Cb 0.97 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.10 2di9 h PRO 31 CO 0.47 0.20 0.00 0.45 -0.23 0.00 0.00 178.00 178.89 2di9 n SER 32 N -3.44 0.42 -0.13 1.44 2.88 -1.26 -2.72 113.62 110.82 2di9 n SER 32 Ca -0.00 0.63 -0.18 0.00 -1.33 0.00 0.00 58.87 57.98 2di9 n SER 32 Cb 0.38 -0.71 -0.12 0.00 -0.75 0.00 0.00 64.21 63.01 2di9 n SER 32 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2di9 n LYS 33 N -1.99 0.65 -1.40 -1.46 4.76 -1.01 -4.87 118.16 112.84 2di9 n LYS 33 Ca 0.02 0.15 -0.61 0.00 -2.87 0.00 0.00 58.31 55.00 2di9 n LYS 33 Cb 0.16 -1.52 -0.11 0.00 -1.84 0.00 0.00 35.03 31.72 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 -3.28 0.02 -4.54 -0.18 0.31 -1.10 -4.91 118.33 104.65 2di9 n VAL 34 Ca -0.46 -0.02 -0.33 0.00 -0.01 0.00 0.00 64.34 63.52 2di9 n VAL 34 Cb 0.99 -0.60 -0.16 0.00 -0.91 0.00 0.00 33.84 33.16 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 5.20 3.12 -0.25 5.55 1.02 -0.92 -4.77 119.74 128.69 2di9 s LYS 35 Ca 1.15 -0.80 -0.03 0.00 0.02 0.00 0.00 55.97 56.31 2di9 s LYS 35 Cb -1.45 -2.55 0.02 0.00 -0.52 0.00 0.00 37.83 33.33 2di9 s LYS 35 CO 0.69 -0.02 -0.03 0.00 -0.92 0.00 0.00 175.35 175.07 2di9 s ALA 36 N 0.87 2.79 -0.02 5.17 0.00 -1.26 -0.78 121.76 128.52 2di9 s ALA 36 Ca -0.05 -1.41 0.03 0.00 0.00 0.00 0.00 51.96 50.53 2di9 s ALA 36 Cb -0.15 -1.78 0.00 0.00 0.00 0.00 0.00 23.12 21.19 2di9 s ALA 36 CO -0.02 -0.77 -0.10 -3.38 0.00 0.00 0.00 175.76 171.48 2di9 s HIS 37 N 1.38 1.03 0.00 0.00 -3.43 -0.38 -4.98 115.29 108.92 2di9 s HIS 37 Ca 0.02 -0.25 0.00 0.00 -0.80 0.00 0.00 55.06 54.02 2di9 s HIS 37 Cb -0.16 -0.72 0.00 0.00 -1.43 0.00 0.00 32.58 30.27 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 3.19 0.40 0.27 -1.38 0.00 -1.26 0.07 105.19 106.47 2di9 n GLY 38 Ca -0.17 -1.21 -0.13 0.00 0.00 0.00 0.00 46.02 44.51 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 0.94 -0.13 1.61 0.13 -1.90 -3.02 132.00 129.63 2di9 h PRO 39 Ca 0.00 -0.50 0.04 0.00 -0.87 0.00 0.00 66.00 64.67 2di9 h PRO 39 Cb 0.00 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.14 2di9 h PRO 39 CO 0.00 1.15 0.38 0.78 -0.23 0.00 0.00 178.00 180.09 2di9 h GLY 40 N 0.76 0.00 0.45 1.56 0.00 -1.02 0.97 103.07 105.79 2di9 h GLY 40 Ca 0.06 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.25 2di9 h GLY 40 CO 0.10 0.00 -0.63 1.41 0.00 0.00 0.00 176.54 177.42 2di9 h LEU 41 N 0.00 0.30 -0.95 3.11 3.38 -1.78 -3.33 115.31 116.05 2di9 h LEU 41 Ca 0.06 -0.95 -0.11 0.00 0.09 0.00 0.00 57.88 56.98 2di9 h LEU 41 Cb 0.83 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 2di9 h LEU 41 CO -0.00 1.29 -0.47 -0.33 0.09 0.00 0.00 178.44 179.02 2di9 h GLU 42 N -0.58 0.12 0.00 1.13 5.08 -1.19 -3.24 114.58 115.91 2di9 h GLU 42 Ca -0.12 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 2di9 h GLU 42 Cb 1.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.70 2di9 h GLU 42 CO 0.09 0.57 0.00 0.41 -1.00 0.00 0.00 179.01 179.07 2di9 n GLY 43 N -0.11 0.58 0.00 -3.84 0.00 0.18 -1.84 105.19 100.16 2di9 n GLY 43 Ca -0.02 -1.68 0.00 0.00 0.00 0.00 0.00 46.02 44.33 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 1.09 3.20 -0.02 0.00 -1.22 -3.96 105.19 104.29 2di9 n GLY 44 Ca 0.00 0.07 -0.18 0.00 0.00 0.00 0.00 46.02 45.90 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 2.33 0.45 0.99 1.43 -1.26 -1.69 118.68 120.94 2di9 s LEU 45 Ca 0.00 -0.70 -0.25 0.00 -1.03 0.00 0.00 54.13 52.15 2di9 s LEU 45 Cb 0.00 -0.53 -0.08 0.00 0.03 0.00 0.00 46.19 45.61 2di9 s LEU 45 CO 0.00 -0.10 1.35 -0.69 0.23 0.00 0.00 176.35 177.14 2di9 s VAL 46 N -1.64 2.35 -0.79 -1.59 1.01 -0.77 -2.02 120.40 116.95 2di9 s VAL 46 Ca 0.03 0.29 0.00 0.00 0.00 0.00 0.00 61.98 62.30 2di9 s VAL 46 Cb -0.08 -3.17 0.00 0.00 0.00 0.00 0.00 36.38 33.14 2di9 s VAL 46 CO 0.02 0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.77 2di9 n GLY 47 N 0.63 0.70 3.48 4.51 0.00 -0.97 -4.76 105.19 108.78 2di9 n GLY 47 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.44 2.12 0.10 1.61 -0.14 -0.86 -4.95 119.74 115.19 2di9 s LYS 48 Ca 0.00 -0.96 -0.31 0.00 -1.36 0.00 0.00 55.97 53.34 2di9 s LYS 48 Cb 0.00 -2.23 -0.08 0.00 -1.68 0.00 0.00 37.83 33.84 2di9 s LYS 48 CO 0.00 0.54 1.37 -1.25 -0.76 0.00 0.00 175.35 175.25 2di9 s PRO 49 N -1.53 4.33 -0.05 -1.68 0.04 -1.26 -4.34 135.00 130.51 2di9 s PRO 49 Ca 0.16 2.03 -0.01 0.00 0.04 0.00 0.00 61.00 63.21 2di9 s PRO 49 Cb -0.11 -3.28 0.03 0.00 0.04 0.00 0.00 34.50 31.19 2di9 s PRO 49 CO 0.06 -0.42 0.03 0.00 0.04 0.00 0.00 177.00 176.72 2di9 s ALA 50 N 1.16 0.38 0.32 8.56 0.00 -1.02 -4.91 121.76 126.25 2di9 s ALA 50 Ca 0.64 0.09 0.04 0.00 0.00 0.00 0.00 51.96 52.73 2di9 s ALA 50 Cb -0.36 -0.61 -0.03 0.00 0.00 0.00 0.00 23.12 22.12 2di9 s ALA 50 CO 0.30 -0.41 0.19 -1.83 0.00 0.00 0.00 175.76 174.01 2di9 s GLU 51 N 1.92 1.65 0.32 0.00 -1.05 -1.25 -1.30 118.70 118.99 2di9 s GLU 51 Ca 0.03 -1.95 0.06 0.00 -0.15 0.00 0.00 54.97 52.95 2di9 s GLU 51 Cb -0.12 0.01 -0.03 0.00 -0.44 0.00 0.00 34.13 33.55 2di9 s GLU 51 CO -0.04 -0.51 0.28 -0.59 0.95 0.00 0.00 175.26 175.35 2di9 s PHE 52 N -3.56 1.64 -0.26 4.83 -0.71 -1.21 -0.67 117.98 118.04 2di9 s PHE 52 Ca 0.36 -1.61 -0.04 0.00 -1.04 0.00 0.00 56.93 54.61 2di9 s PHE 52 Cb 0.04 -0.65 0.02 0.00 -1.21 0.00 0.00 43.02 41.22 2di9 s PHE 52 CO 0.20 -0.87 -0.01 0.99 -1.34 0.00 0.00 175.22 174.18 2di9 s THR 53 N -3.48 3.29 0.05 -4.49 2.01 0.11 -4.10 115.64 109.04 2di9 s THR 53 Ca 0.40 -0.84 -0.04 0.00 0.31 0.00 0.00 61.69 61.52 2di9 s THR 53 Cb 0.03 -2.65 -0.05 0.00 0.01 0.00 0.00 72.50 69.83 2di9 s THR 53 CO 0.26 0.20 0.27 -0.63 -0.69 0.00 0.00 174.62 174.02 2di9 s ILE 54 N 1.40 5.30 -0.22 1.82 1.01 -0.72 -1.24 121.20 128.55 2di9 s ILE 54 Ca 0.02 -0.03 -0.02 0.00 0.00 0.00 0.00 60.65 60.61 2di9 s ILE 54 Cb -0.16 -3.59 0.07 0.00 0.01 0.00 0.00 42.46 38.78 2di9 s ILE 54 CO -0.02 0.22 0.04 -1.81 0.00 0.00 0.00 174.94 173.37 2di9 s ASP 55 N -2.10 3.19 -0.11 3.58 1.11 0.04 -3.37 116.67 119.00 2di9 s ASP 55 Ca 0.33 -0.99 0.14 0.00 0.18 0.00 0.00 52.55 52.21 2di9 s ASP 55 Cb -0.13 -0.68 0.28 0.00 1.07 0.00 0.00 42.92 43.46 2di9 s ASP 55 CO 0.21 -0.32 1.14 0.35 1.18 0.00 0.00 175.17 177.73 2di9 n THR 56 N 4.99 1.42 -0.13 -1.27 -2.24 -1.23 -2.16 114.28 113.66 2di9 n THR 56 Ca -0.08 -1.94 -0.04 0.00 -2.27 0.00 0.00 64.05 59.72 2di9 n THR 56 Cb 0.46 0.02 0.02 0.00 -2.10 0.00 0.00 70.33 68.73 2di9 n THR 56 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2di9 h LYS 57 N 0.33 0.01 -0.94 -0.78 1.57 -1.92 -0.73 116.57 114.11 2di9 h LYS 57 Ca -0.02 -0.00 -0.40 0.00 -1.87 0.00 0.00 60.65 58.36 2di9 h LYS 57 Cb 1.16 -0.00 -0.24 0.00 0.08 0.00 0.00 32.23 33.23 2di9 h LYS 57 CO 0.01 0.01 0.51 0.41 -0.57 0.00 0.00 179.45 179.81 2di9 n GLY 58 N -1.32 4.06 0.16 3.86 0.00 -1.26 -4.29 105.19 106.41 2di9 n GLY 58 Ca 0.03 -0.98 -0.20 0.00 0.00 0.00 0.00 46.02 44.88 2di9 n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2di9 n ALA 59 N -0.76 1.48 0.00 4.61 0.00 -0.28 -4.87 120.51 120.70 2di9 n ALA 59 Ca 0.50 -0.97 0.00 0.00 0.00 0.00 0.00 53.44 52.98 2di9 n ALA 59 Cb 1.51 0.06 0.00 0.00 0.00 0.00 0.00 19.45 21.02 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 2.07 0.42 2.85 0.00 0.00 -1.20 0.11 105.19 109.43 2di9 n GLY 60 Ca -0.43 -1.86 -0.14 0.00 0.00 0.00 0.00 46.02 43.58 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 -1.52 -0.06 0.00 2.61 2.01 -1.05 -4.93 115.64 112.70 2di9 s THR 61 Ca 0.00 0.21 0.00 0.00 0.31 0.00 0.00 61.69 62.21 2di9 s THR 61 Cb 0.00 -0.17 0.00 0.00 0.01 0.00 0.00 72.50 72.34 2di9 s THR 61 CO 0.00 0.09 0.00 0.61 -0.69 0.00 0.00 174.62 174.63 2di9 n GLY 62 N 4.27 1.69 2.94 4.40 0.00 -1.26 -4.38 105.19 112.85 2di9 n GLY 62 Ca -0.26 0.09 -0.29 0.00 0.00 0.00 0.00 46.02 45.56 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 1.10 -0.14 -0.02 0.00 -1.26 -5.01 107.32 101.99 2di9 s GLY 63 Ca 0.00 -1.01 -0.14 0.00 0.00 0.00 0.00 44.72 43.57 2di9 s GLY 63 CO 0.00 0.84 0.32 -2.27 0.00 0.00 0.00 173.10 171.99 2di9 s LEU 64 N 1.52 4.27 -0.27 0.66 2.96 -1.26 -0.48 118.68 126.07 2di9 s LEU 64 Ca -0.00 0.58 -0.07 0.00 -0.22 0.00 0.00 54.13 54.41 2di9 s LEU 64 Cb -0.16 -2.41 -0.01 0.00 0.50 0.00 0.00 46.19 44.11 2di9 s LEU 64 CO -0.08 0.12 0.08 -0.83 -1.32 0.00 0.00 176.35 174.32 2di9 s GLY 65 N 0.31 1.78 -0.20 7.98 0.00 0.62 -4.97 107.32 112.84 2di9 s GLY 65 Ca 0.18 -1.29 -0.00 0.00 0.00 0.00 0.00 44.72 43.61 2di9 s GLY 65 CO 0.05 0.59 -0.15 -2.27 0.00 0.00 0.00 173.10 171.33 2di9 s LEU 66 N 1.56 2.46 -0.00 0.66 2.96 -1.25 -2.30 118.68 122.77 2di9 s LEU 66 Ca 0.05 -0.66 0.02 0.00 -0.22 0.00 0.00 54.13 53.32 2di9 s LEU 66 Cb -0.16 -1.55 -0.01 0.00 0.50 0.00 0.00 46.19 44.97 2di9 s LEU 66 CO 0.03 -0.03 -0.06 0.42 -1.32 0.00 0.00 176.35 175.39 2di9 s THR 67 N 1.32 0.50 -0.57 3.68 -4.23 -1.09 -4.96 115.64 110.29 2di9 s THR 67 Ca 0.04 -0.32 -0.18 0.00 -1.18 0.00 0.00 61.69 60.06 2di9 s THR 67 Cb -0.14 -0.43 0.11 0.00 1.34 0.00 0.00 72.50 73.39 2di9 s THR 67 CO -0.10 0.11 0.62 -0.69 -0.54 0.00 0.00 174.62 174.02 2di9 s VAL 68 N -0.22 4.98 -1.50 2.29 1.01 -1.26 -0.78 120.40 124.93 2di9 s VAL 68 Ca 0.02 -1.21 -0.11 0.00 0.00 0.00 0.00 61.98 60.68 2di9 s VAL 68 Cb -0.03 -4.43 0.01 0.00 0.00 0.00 0.00 36.38 31.93 2di9 s VAL 68 CO -0.00 -1.02 2.53 -0.62 0.00 0.00 0.00 175.10 175.99 2di9 n GLU 69 N 5.88 3.52 -3.56 2.72 -0.58 -0.54 -4.88 120.64 123.21 2di9 n GLU 69 Ca -0.11 -2.63 -0.23 0.00 -0.42 0.00 0.00 57.16 53.77 2di9 n GLU 69 Cb 0.41 -2.96 -0.00 0.00 -0.57 0.00 0.00 31.44 28.33 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 2.15 2.14 0.54 0.62 0.00 -1.26 -3.94 107.32 107.57 2di9 s GLY 70 Ca 0.57 -1.69 0.32 0.00 0.00 0.00 0.00 44.72 43.92 2di9 s GLY 70 CO -0.07 -1.78 1.98 -0.56 0.00 0.00 0.00 173.10 172.67 2di9 h PRO 71 N 0.72 0.00 0.00 2.90 0.13 -1.92 -3.45 132.00 130.39 2di9 h PRO 71 Ca -0.37 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.23 2di9 h PRO 71 Cb 1.29 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.31 2di9 h PRO 71 CO 0.53 0.04 -0.40 0.00 -0.23 0.00 0.00 178.00 177.95 2di9 s GLU 73 N -3.47 3.44 0.11 0.00 2.12 -1.26 -5.00 118.70 114.63 2di9 s GLU 73 Ca 0.04 -2.70 -0.25 0.00 0.36 0.00 0.00 54.97 52.42 2di9 s GLU 73 Cb 0.00 -4.24 -0.07 0.00 0.26 0.00 0.00 34.13 30.08 2di9 s GLU 73 CO 0.03 -1.25 0.76 0.00 -0.54 0.00 0.00 175.26 174.26 2di9 s ALA 74 N -0.31 3.42 0.57 6.30 0.00 -1.26 -4.97 121.76 125.51 2di9 s ALA 74 Ca 0.21 0.31 -0.18 0.00 0.00 0.00 0.00 51.96 52.30 2di9 s ALA 74 Cb -0.12 -2.96 -0.04 0.00 0.00 0.00 0.00 23.12 19.99 2di9 s ALA 74 CO -0.08 0.19 1.10 0.21 0.00 0.00 0.00 175.76 177.18 2di9 s LYS 75 N -0.63 3.28 -0.04 0.00 2.47 -1.23 -4.89 119.74 118.70 2di9 s LYS 75 Ca 0.37 1.46 0.01 0.00 -1.56 0.00 0.00 55.97 56.25 2di9 s LYS 75 Cb -0.22 -2.01 0.02 0.00 -1.46 0.00 0.00 37.83 34.17 2di9 s LYS 75 CO 0.24 -0.88 -0.03 0.42 0.16 0.00 0.00 175.35 175.26 2di9 s ILE 76 N -2.04 0.43 -0.30 5.43 1.01 -1.26 -2.44 121.20 122.03 2di9 s ILE 76 Ca 0.69 -0.08 0.02 0.00 0.00 0.00 0.00 60.65 61.28 2di9 s ILE 76 Cb -0.21 -0.47 0.09 0.00 0.01 0.00 0.00 42.46 41.88 2di9 s ILE 76 CO 0.31 0.19 0.04 -1.61 0.00 0.00 0.00 174.94 173.87 2di9 s GLU 77 N 0.84 1.31 -0.09 2.79 0.41 0.72 -4.99 118.70 119.69 2di9 s GLU 77 Ca -0.10 -1.43 -0.19 0.00 -0.41 0.00 0.00 54.97 52.83 2di9 s GLU 77 Cb -0.13 -2.70 -0.04 0.00 -1.78 0.00 0.00 34.13 29.47 2di9 s GLU 77 CO -0.00 -0.86 0.54 0.00 -0.49 0.00 0.00 175.26 174.44 2di9 s SER 79 N 0.51 0.39 0.33 0.00 0.15 -1.23 -5.01 113.70 108.85 2di9 s SER 79 Ca 0.29 -0.07 -0.05 0.00 0.70 0.00 0.00 55.95 56.82 2di9 s SER 79 Cb -0.16 -0.04 -0.05 0.00 -1.71 0.00 0.00 66.02 64.06 2di9 s SER 79 CO 0.13 0.03 0.61 1.51 1.20 0.00 0.00 173.24 176.72 2di9 s ASP 80 N -0.11 6.43 -0.23 5.45 1.47 -1.26 -1.77 116.67 126.65 2di9 s ASP 80 Ca 0.01 0.78 -0.03 0.00 1.18 0.00 0.00 52.55 54.49 2di9 s ASP 80 Cb -0.01 -2.17 -0.13 0.00 -0.34 0.00 0.00 42.92 40.26 2di9 s ASP 80 CO -0.00 -0.27 -0.23 0.59 0.68 0.00 0.00 175.17 175.93 2di9 n ASN 81 N -1.19 2.07 0.00 2.11 3.02 -0.82 -4.92 115.26 115.54 2di9 n ASN 81 Ca -0.01 0.01 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 2di9 n ASN 81 Cb 0.54 -0.47 0.00 0.00 -0.61 0.00 0.00 39.78 39.24 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 2.13 1.51 1.75 7.41 0.00 -1.26 -4.93 105.19 111.79 2di9 n GLY 82 Ca -0.42 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.50 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 3.85 -0.17 1.61 2.03 -1.26 -4.83 116.55 117.78 2di9 n ASP 83 Ca 0.00 -2.99 -0.02 0.00 0.52 0.00 0.00 54.79 52.30 2di9 n ASP 83 Cb 0.00 -0.71 -0.00 0.00 -0.72 0.00 0.00 41.12 39.69 2di9 n ASP 83 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2di9 n GLY 84 N -0.29 0.35 3.22 0.27 0.00 -1.26 -4.94 105.19 102.53 2di9 n GLY 84 Ca 0.35 -0.87 -0.16 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.08 1.16 0.02 2.61 -4.23 -1.26 -3.47 115.64 108.38 2di9 s THR 85 Ca 0.00 -1.72 0.04 0.00 -1.18 0.00 0.00 61.69 58.84 2di9 s THR 85 Cb 0.00 -1.49 -0.02 0.00 1.34 0.00 0.00 72.50 72.34 2di9 s THR 85 CO 0.00 -0.50 -0.13 0.00 -0.54 0.00 0.00 174.62 173.45 2di9 s SER 87 N -0.81 3.77 -0.04 0.00 0.15 -0.73 -1.76 113.70 114.28 2di9 s SER 87 Ca 0.02 -2.51 -0.24 0.00 0.70 0.00 0.00 55.95 53.92 2di9 s SER 87 Cb -0.07 -1.06 -0.04 0.00 -1.71 0.00 0.00 66.02 63.14 2di9 s SER 87 CO 0.01 -0.29 0.73 -0.69 1.20 0.00 0.00 173.24 174.19 2di9 s VAL 88 N 0.49 4.98 -0.09 4.45 1.01 -1.26 -3.54 120.40 126.45 2di9 s VAL 88 Ca 0.16 1.51 0.04 0.00 0.00 0.00 0.00 61.98 63.69 2di9 s VAL 88 Cb -0.24 -4.07 -0.01 0.00 0.00 0.00 0.00 36.38 32.07 2di9 s VAL 88 CO -0.03 0.27 -0.23 -0.94 0.00 0.00 0.00 175.10 174.18 2di9 s SER 89 N 0.62 3.23 0.05 3.32 1.04 -0.45 -3.29 113.70 118.22 2di9 s SER 89 Ca 0.38 -0.51 0.07 0.00 0.48 0.00 0.00 55.95 56.38 2di9 s SER 89 Cb -0.18 -1.27 -0.03 0.00 0.10 0.00 0.00 66.02 64.64 2di9 s SER 89 CO 0.20 0.19 -0.21 -0.72 0.98 0.00 0.00 173.24 173.68 2di9 s TYR 90 N 0.18 1.79 -0.34 5.02 1.13 -0.42 -0.20 117.35 124.51 2di9 s TYR 90 Ca -0.13 -0.38 0.00 0.00 -1.41 0.00 0.00 57.07 55.16 2di9 s TYR 90 Cb -0.16 -1.06 0.09 0.00 -1.10 0.00 0.00 41.96 39.72 2di9 s TYR 90 CO 0.07 0.10 0.06 -0.51 -2.51 0.00 0.00 175.55 172.76 2di9 s LEU 91 N -1.22 4.52 1.09 -3.49 1.43 -1.02 -2.44 118.68 117.55 2di9 s LEU 91 Ca 0.07 -1.80 -0.15 0.00 -1.03 0.00 0.00 54.13 51.22 2di9 s LEU 91 Cb -0.09 -1.70 0.23 0.00 0.03 0.00 0.00 46.19 44.67 2di9 s LEU 91 CO 0.02 -0.37 1.10 -2.16 0.23 0.00 0.00 176.35 175.17 2di9 s PRO 92 N 1.09 -0.34 0.00 1.29 0.04 -1.26 -3.55 135.00 132.27 2di9 s PRO 92 Ca 0.03 0.25 0.00 0.00 0.04 0.00 0.00 61.00 61.32 2di9 s PRO 92 Cb -0.20 -1.67 0.00 0.00 0.04 0.00 0.00 34.50 32.66 2di9 s PRO 92 CO -0.05 -3.19 0.00 -2.37 0.04 0.00 0.00 177.00 171.44 2di9 n THR 93 N -4.45 0.00 -3.93 1.26 5.66 -1.26 -2.28 114.28 109.28 2di9 n THR 93 Ca 0.08 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.98 2di9 n THR 93 Cb 0.58 -0.80 -0.12 0.00 -1.55 0.00 0.00 70.33 68.44 2di9 n THR 93 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 2di9 s LYS 94 N -1.81 0.23 -0.60 1.09 1.02 -1.26 -4.68 119.74 113.73 2di9 s LYS 94 Ca 0.00 -0.38 -0.27 0.00 0.02 0.00 0.00 55.97 55.35 2di9 s LYS 94 Cb 0.00 0.09 -0.02 0.00 -0.52 0.00 0.00 37.83 37.37 2di9 s LYS 94 CO 0.00 -0.04 1.86 -1.25 -0.92 0.00 0.00 175.35 175.00 2di9 s PRO 95 N -0.96 2.65 0.00 -1.68 0.04 -1.26 -4.79 135.00 129.00 2di9 s PRO 95 Ca -0.11 0.65 0.00 0.00 0.04 0.00 0.00 61.00 61.58 2di9 s PRO 95 Cb -0.06 -4.38 0.00 0.00 0.04 0.00 0.00 34.50 30.09 2di9 s PRO 95 CO -0.00 -2.70 0.00 0.41 0.04 0.00 0.00 177.00 174.75 2di9 n GLY 96 N 5.69 3.97 2.80 0.56 0.00 -1.25 -4.95 105.19 112.01 2di9 n GLY 96 Ca 0.21 -0.37 -0.16 0.00 0.00 0.00 0.00 46.02 45.69 2di9 n GLY 96 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2di9 s GLU 97 N 3.41 0.00 -0.18 1.61 0.41 -1.26 -3.07 118.70 119.63 2di9 s GLU 97 Ca 0.00 0.37 0.01 0.00 -0.41 0.00 0.00 54.97 54.94 2di9 s GLU 97 Cb 0.00 -0.30 0.02 0.00 -1.78 0.00 0.00 34.13 32.07 2di9 s GLU 97 CO 0.00 -0.24 -0.19 0.71 -0.49 0.00 0.00 175.26 175.05 2di9 s TYR 98 N 1.63 2.78 -0.43 1.61 2.02 -1.19 -4.35 117.35 119.42 2di9 s TYR 98 Ca -0.03 -1.53 -0.16 0.00 -0.37 0.00 0.00 57.07 54.98 2di9 s TYR 98 Cb -0.12 -1.92 0.03 0.00 -0.40 0.00 0.00 41.96 39.55 2di9 s TYR 98 CO -0.04 -0.75 0.37 -0.06 -1.57 0.00 0.00 175.55 173.50 2di9 s PHE 99 N 1.21 3.21 -0.62 2.71 0.40 -1.25 -1.59 117.98 122.05 2di9 s PHE 99 Ca 0.03 -0.58 -0.27 0.00 -0.60 0.00 0.00 56.93 55.51 2di9 s PHE 99 Cb -0.14 -2.80 0.03 0.00 0.51 0.00 0.00 43.02 40.63 2di9 s PHE 99 CO -0.10 -0.67 1.15 0.08 0.70 0.00 0.00 175.22 176.38 2di9 s VAL 100 N 1.84 4.04 -0.52 -0.44 1.01 -1.23 -1.46 120.40 123.64 2di9 s VAL 100 Ca 0.07 0.59 -0.29 0.00 0.00 0.00 0.00 61.98 62.35 2di9 s VAL 100 Cb -0.19 -4.74 0.03 0.00 0.00 0.00 0.00 36.38 31.48 2di9 s VAL 100 CO 0.11 -1.43 1.18 0.20 0.00 0.00 0.00 175.10 175.16 2di9 s ASN 101 N 3.17 6.53 -0.32 3.32 0.01 0.04 -2.46 114.94 125.23 2di9 s ASN 101 Ca 0.37 0.33 -0.07 0.00 -0.71 0.00 0.00 52.86 52.79 2di9 s ASN 101 Cb -0.09 -2.55 0.03 0.00 0.41 0.00 0.00 41.25 39.04 2di9 s ASN 101 CO 0.21 -1.37 0.10 -0.63 -1.51 0.00 0.00 177.10 173.90 2di9 s ILE 102 N 4.75 3.94 -0.05 0.60 1.01 -1.26 -2.68 121.20 127.52 2di9 s ILE 102 Ca 0.47 -0.92 0.01 0.00 0.00 0.00 0.00 60.65 60.22 2di9 s ILE 102 Cb -0.08 -3.14 0.02 0.00 0.01 0.00 0.00 42.46 39.27 2di9 s ILE 102 CO 0.29 -0.07 -0.07 -1.48 0.00 0.00 0.00 174.94 173.61 2di9 s LEU 103 N 1.46 1.46 -0.36 2.97 0.05 -0.97 -1.32 118.68 121.97 2di9 s LEU 103 Ca 0.01 -0.17 -0.12 0.00 0.05 0.00 0.00 54.13 53.89 2di9 s LEU 103 Cb -0.18 -0.54 0.00 0.00 -2.05 0.00 0.00 46.19 43.42 2di9 s LEU 103 CO 0.03 -0.02 0.23 0.12 -0.55 0.00 0.00 176.35 176.16 2di9 s PHE 104 N 0.76 3.22 -1.32 3.48 5.36 0.12 -0.28 117.98 129.32 2di9 s PHE 104 Ca -0.12 -0.52 -0.07 0.00 -0.96 0.00 0.00 56.93 55.26 2di9 s PHE 104 Cb -0.14 -2.47 0.01 0.00 -0.34 0.00 0.00 43.02 40.07 2di9 s PHE 104 CO 0.01 -0.49 1.15 0.39 -1.46 0.00 0.00 175.22 174.82 2di9 n GLU 105 N 5.07 -7.72 -1.97 10.12 1.02 0.36 -1.82 120.64 125.71 2di9 n GLU 105 Ca -0.12 0.83 -0.07 0.00 -0.02 0.00 0.00 57.16 57.78 2di9 n GLU 105 Cb 0.48 -5.87 -0.01 0.00 -0.02 0.00 0.00 31.44 26.02 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 -4.84 -0.56 -3.84 3.49 1.02 -1.26 -5.02 120.64 109.63 2di9 n GLU 106 Ca -0.05 0.42 -0.29 0.00 -0.02 0.00 0.00 57.16 57.23 2di9 n GLU 106 Cb 0.58 -4.31 -0.16 0.00 -0.02 0.00 0.00 31.44 27.53 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 -2.34 1.06 0.03 2.62 1.01 -0.75 -5.10 120.40 116.92 2di9 s VAL 107 Ca 0.00 -0.93 -0.30 0.00 0.00 0.00 0.00 61.98 60.75 2di9 s VAL 107 Cb 0.00 -1.45 -0.09 0.00 0.00 0.00 0.00 36.38 34.84 2di9 s VAL 107 CO 0.00 -0.17 1.98 -1.00 0.00 0.00 0.00 175.10 175.91 2di9 s HIS 108 N 1.61 1.26 0.62 5.22 3.76 -1.26 0.16 115.29 126.65 2di9 s HIS 108 Ca -0.03 -0.44 -0.17 0.00 -0.15 0.00 0.00 55.06 54.26 2di9 s HIS 108 Cb -0.18 -4.24 -0.02 0.00 1.11 0.00 0.00 32.58 29.25 2di9 s HIS 108 CO -0.08 -5.57 1.16 0.96 -0.85 0.00 0.00 174.74 170.36 2di9 s ILE 109 N 4.59 2.92 -1.10 0.60 -4.36 -0.44 -4.88 121.20 118.52 2di9 s ILE 109 Ca 0.89 0.51 -0.23 0.00 -0.26 0.00 0.00 60.65 61.56 2di9 s ILE 109 Cb -0.42 -3.11 -0.08 0.00 1.25 0.00 0.00 42.46 40.10 2di9 s ILE 109 CO 0.42 -0.18 1.94 -2.16 0.24 0.00 0.00 174.94 175.19 2di9 s PRO 110 N -3.63 2.52 0.00 0.37 0.04 -1.26 -2.35 135.00 130.69 2di9 s PRO 110 Ca 0.73 -0.92 0.00 0.00 0.04 0.00 0.00 61.00 60.84 2di9 s PRO 110 Cb -0.25 -5.19 0.00 0.00 0.04 0.00 0.00 34.50 29.09 2di9 s PRO 110 CO 0.36 -3.81 0.00 0.41 0.04 0.00 0.00 177.00 174.00 2di9 n GLY 111 N 6.11 0.19 3.85 0.56 0.00 -1.26 -5.05 105.19 109.58 2di9 n GLY 111 Ca 0.43 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 -1.35 0.00 0.00 0.00 173.32 171.97 2di9 s SER 112 N 0.00 5.78 1.09 1.61 1.04 -0.99 -4.22 113.70 118.01 2di9 s SER 112 Ca 0.00 -0.04 -0.15 0.00 0.48 0.00 0.00 55.95 56.24 2di9 s SER 112 Cb 0.00 -1.59 0.23 0.00 0.10 0.00 0.00 66.02 64.76 2di9 s SER 112 CO 0.00 0.06 1.10 -2.16 0.98 0.00 0.00 173.24 173.22 2di9 s PRO 113 N -3.16 -0.30 -0.46 4.02 0.04 -1.26 -4.84 135.00 129.03 2di9 s PRO 113 Ca 0.32 0.27 0.04 0.00 0.04 0.00 0.00 61.00 61.67 2di9 s PRO 113 Cb -0.10 -1.67 0.12 0.00 0.04 0.00 0.00 34.50 32.88 2di9 s PRO 113 CO 0.25 -3.17 0.19 -0.06 0.04 0.00 0.00 177.00 174.25 2di9 s PHE 114 N -2.98 3.38 -0.02 0.56 0.40 -1.03 -4.85 117.98 113.44 2di9 s PHE 114 Ca 0.68 -3.12 -0.32 0.00 -0.60 0.00 0.00 56.93 53.56 2di9 s PHE 114 Cb -0.15 -2.86 -0.11 0.00 0.51 0.00 0.00 43.02 40.41 2di9 s PHE 114 CO 0.57 -0.81 1.91 1.17 0.70 0.00 0.00 175.22 178.76 2di9 n LYS 115 N 3.49 2.50 -3.94 0.44 4.81 -1.26 -3.48 118.16 120.72 2di9 n LYS 115 Ca 0.05 0.92 -0.34 0.00 -0.87 0.00 0.00 58.31 58.06 2di9 n LYS 115 Cb 0.35 -2.81 -0.14 0.00 0.02 0.00 0.00 35.03 32.46 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 4.09 2.83 -0.34 3.14 0.00 -0.62 -4.62 121.76 126.23 2di9 s ALA 116 Ca 0.90 -2.00 -0.29 0.00 0.00 0.00 0.00 51.96 50.57 2di9 s ALA 116 Cb -0.58 -1.94 0.00 0.00 0.00 0.00 0.00 23.12 20.61 2di9 s ALA 116 CO 0.47 -1.40 1.33 0.34 0.00 0.00 0.00 175.76 176.50 2di9 s ASP 117 N 1.26 6.56 -0.00 0.00 2.15 -0.77 -3.15 116.67 122.72 2di9 s ASP 117 Ca -0.02 1.06 -0.08 0.00 0.43 0.00 0.00 52.55 53.95 2di9 s ASP 117 Cb -0.20 -2.54 -0.05 0.00 -0.30 0.00 0.00 42.92 39.83 2di9 s ASP 117 CO -0.03 -1.20 0.28 -0.63 -0.17 0.00 0.00 175.17 173.41 2di9 s ILE 118 N 4.71 5.28 0.32 4.11 -1.09 -1.17 -3.37 121.20 130.00 2di9 s ILE 118 Ca 0.58 0.26 0.06 0.00 -2.23 0.00 0.00 60.65 59.32 2di9 s ILE 118 Cb -0.15 -3.57 -0.06 0.00 -1.58 0.00 0.00 42.46 37.10 2di9 s ILE 118 CO 0.26 0.41 -0.01 -1.61 -1.23 0.00 0.00 174.94 172.77 2di9 s GLU 119 N -1.61 1.68 0.12 2.79 2.02 -0.68 -3.90 118.70 119.12 2di9 s GLU 119 Ca 0.26 -1.90 -0.27 0.00 0.02 0.00 0.00 54.97 53.07 2di9 s GLU 119 Cb -0.13 -1.21 -0.06 0.00 0.10 0.00 0.00 34.13 32.82 2di9 s GLU 119 CO 0.14 -0.04 0.86 -1.64 0.02 0.00 0.00 175.26 174.60 2di9 s MET 120 N -3.76 4.63 0.41 1.61 -1.94 -1.26 -1.84 119.30 117.15 2di9 s MET 120 Ca 0.33 1.27 -0.25 0.00 -1.71 0.00 0.00 55.69 55.33 2di9 s MET 120 Cb 0.06 -3.34 -0.08 0.00 2.01 0.00 0.00 34.83 33.48 2di9 s MET 120 CO 0.15 0.34 1.19 -1.25 -0.01 0.00 0.00 175.02 175.43 2di9 s PRO 121 N -0.38 3.99 0.73 2.03 0.04 -1.26 -4.94 135.00 135.22 2di9 s PRO 121 Ca 0.41 1.87 -0.11 0.00 0.04 0.00 0.00 61.00 63.21 2di9 s PRO 121 Cb -0.23 -2.64 0.03 0.00 0.04 0.00 0.00 34.50 31.70 2di9 s PRO 121 CO 0.27 -0.38 1.08 -0.59 0.04 0.00 0.00 177.00 177.42 2di9 s PHE 122 N -1.41 3.13 0.13 0.56 -0.71 -1.26 -5.05 117.98 113.37 2di9 s PHE 122 Ca 0.58 1.17 -0.17 0.00 -1.04 0.00 0.00 56.93 57.47 2di9 s PHE 122 Cb -0.31 -3.02 -0.07 0.00 -1.21 0.00 0.00 43.02 38.40 2di9 s PHE 122 CO 0.39 -1.37 0.59 0.16 -1.34 0.00 0.00 175.22 173.65 2di9 s ASP 123 N -4.07 6.96 0.00 1.98 1.47 -1.26 -4.95 116.67 116.80 2di9 s ASP 123 Ca 0.59 1.21 0.16 0.00 1.18 0.00 0.00 52.55 55.69 2di9 s ASP 123 Cb -0.13 -2.34 0.91 0.00 -0.34 0.00 0.00 42.92 41.02 2di9 s ASP 123 CO 0.53 0.16 1.35 -0.81 0.68 0.00 0.00 175.17 177.09 2di9 n PRO 124 N 1.15 0.46 -1.07 2.11 -0.04 -1.26 -4.86 135.00 131.48 2di9 n PRO 124 Ca -0.07 0.02 -0.47 0.00 -0.04 0.00 0.00 63.50 62.94 2di9 n PRO 124 Cb 0.51 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.39 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 -1.04 0.69 -4.97 3.54 2.88 -1.26 -4.90 113.62 108.57 2di9 n SER 125 Ca 0.11 0.65 -0.21 0.00 -1.33 0.00 0.00 58.87 58.09 2di9 n SER 125 Cb 0.06 -0.67 0.02 0.00 -0.75 0.00 0.00 64.21 62.87 2di9 n SER 125 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2di9 s SER 126 N 3.70 5.56 0.00 -3.46 0.15 -1.26 -5.03 113.70 113.37 2di9 s SER 126 Ca 0.86 0.05 0.00 0.00 0.70 0.00 0.00 55.95 57.56 2di9 s SER 126 Cb -1.13 -1.12 0.00 0.00 -1.71 0.00 0.00 66.02 62.06 2di9 s SER 126 CO 0.54 -0.90 0.00 0.61 1.20 0.00 0.00 173.24 174.69 2di9 n GLY 127 N -2.16 1.93 0.06 9.45 0.00 -1.26 -4.91 105.19 108.30 2di9 n GLY 127 Ca 0.05 -1.65 -0.13 0.00 0.00 0.00 0.00 46.02 44.29 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 -0.01 -2.76 1.61 0.13 -2.05 -3.48 132.00 125.44 2di9 h PRO 128 Ca 0.00 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.93 2di9 h PRO 128 Cb 0.00 0.00 0.04 0.00 0.13 0.00 0.00 31.00 31.18 2di9 h PRO 128 CO 0.00 0.47 -0.31 0.45 -0.23 0.00 0.00 178.00 178.38 2di9 n SER 129 N -4.86 -3.90 -4.19 1.44 2.88 -1.26 -5.01 113.62 98.71 2di9 n SER 129 Ca -0.08 -0.18 -0.36 0.00 -1.33 0.00 0.00 58.87 56.91 2di9 n SER 129 Cb 0.25 -2.68 -0.13 0.00 -0.75 0.00 0.00 64.21 60.90 2di9 n SER 129 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2di9 s SER 130 N -2.97 5.01 0.00 -3.46 0.01 -1.26 -5.32 113.70 105.71 2di9 s SER 130 Ca 0.20 -1.28 0.00 0.00 1.31 0.00 0.00 55.95 56.18 2di9 s SER 130 Cb -0.09 -1.75 0.00 0.00 0.21 0.00 0.00 66.02 64.39 2di9 s SER 130 CO 0.24 -0.29 0.00 0.61 0.41 0.00 0.00 173.24 174.22