#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2di9 n SER 2 N 0.00 0.35 -3.69 1.61 2.88 -1.26 -4.86 113.62 108.66 2di9 n SER 2 Ca 0.00 0.29 -0.10 0.00 -1.33 0.00 0.00 58.87 57.73 2di9 n SER 2 Cb 0.00 -0.67 -0.10 0.00 -0.75 0.00 0.00 64.21 62.69 2di9 n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2di9 s SER 3 N 5.70 -0.59 0.00 -3.46 0.15 -1.26 -5.11 113.70 109.13 2di9 s SER 3 Ca 0.95 1.00 0.00 0.00 0.70 0.00 0.00 55.95 58.61 2di9 s SER 3 Cb -1.00 0.88 0.00 0.00 -1.71 0.00 0.00 66.02 64.19 2di9 s SER 3 CO 0.41 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 175.26 2di9 n GLY 4 N 4.25 0.04 3.58 9.45 0.00 -1.26 -4.85 105.19 116.40 2di9 n GLY 4 Ca -0.23 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.19 4.31 -0.21 1.61 0.01 -1.26 -4.80 113.70 113.18 2di9 s SER 5 Ca 0.00 -1.26 -0.26 0.00 1.31 0.00 0.00 55.95 55.74 2di9 s SER 5 Cb 0.00 -2.59 0.07 0.00 0.21 0.00 0.00 66.02 63.71 2di9 s SER 5 CO 0.00 -3.81 0.69 -0.55 0.41 0.00 0.00 173.24 169.98 2di9 s SER 6 N 7.59 -0.71 -0.81 2.44 0.15 -1.26 -5.11 113.70 115.99 2di9 s SER 6 Ca 0.75 1.23 -0.06 0.00 0.70 0.00 0.00 55.95 58.56 2di9 s SER 6 Cb -0.03 1.20 0.21 0.00 -1.71 0.00 0.00 66.02 65.69 2di9 s SER 6 CO 0.14 -0.33 0.70 -0.83 1.20 0.00 0.00 173.24 174.13 2di9 s GLY 7 N -0.02 2.79 -0.30 9.45 0.00 -1.26 -4.97 107.32 113.01 2di9 s GLY 7 Ca -0.03 -3.51 -0.16 0.00 0.00 0.00 0.00 44.72 41.02 2di9 s GLY 7 CO 0.03 1.20 1.08 0.51 0.00 0.00 0.00 173.10 175.92 2di9 s ASP 8 N 0.96 -0.39 -0.28 1.64 -4.77 -1.26 -5.14 116.67 107.43 2di9 s ASP 8 Ca 0.22 0.57 -0.13 0.00 -3.30 0.00 0.00 52.55 49.91 2di9 s ASP 8 Cb -0.13 1.32 -0.04 0.00 -1.09 0.00 0.00 42.92 42.98 2di9 s ASP 8 CO -0.08 -0.08 0.27 -0.69 0.70 0.00 0.00 175.17 175.29 2di9 s VAL 9 N 1.81 5.25 0.07 2.11 1.01 -1.26 -5.07 120.40 124.31 2di9 s VAL 9 Ca -0.05 0.34 0.06 0.00 0.00 0.00 0.00 61.98 62.33 2di9 s VAL 9 Cb -0.04 -3.61 -0.03 0.00 0.00 0.00 0.00 36.38 32.70 2di9 s VAL 9 CO -0.15 0.20 -0.16 -0.89 0.00 0.00 0.00 175.10 174.10 2di9 s THR 10 N 1.90 1.27 -0.36 3.92 2.01 -1.26 -5.12 115.64 117.99 2di9 s THR 10 Ca 0.11 -1.27 -0.12 0.00 0.31 0.00 0.00 61.69 60.71 2di9 s THR 10 Cb -0.16 -1.18 0.01 0.00 0.01 0.00 0.00 72.50 71.18 2di9 s THR 10 CO 0.11 -0.11 0.23 -0.72 -0.69 0.00 0.00 174.62 173.44 2di9 s TYR 11 N -1.12 3.23 -1.00 4.92 -0.85 -1.26 -4.97 117.35 116.29 2di9 s TYR 11 Ca 0.01 -0.57 -0.12 0.00 -0.52 0.00 0.00 57.07 55.87 2di9 s TYR 11 Cb -0.09 -2.48 0.24 0.00 0.38 0.00 0.00 41.96 40.00 2di9 s TYR 11 CO 0.02 -0.52 1.02 0.16 -1.52 0.00 0.00 175.55 174.71 2di9 s ASP 12 N 1.65 7.05 -0.90 -0.18 -4.77 -1.26 -4.91 116.67 113.35 2di9 s ASP 12 Ca 0.04 -3.11 -0.00 0.00 -3.30 0.00 0.00 52.55 46.18 2di9 s ASP 12 Cb -0.18 -2.24 0.33 0.00 -1.09 0.00 0.00 42.92 39.74 2di9 s ASP 12 CO 0.09 -0.48 1.71 0.61 0.70 0.00 0.00 175.17 177.79 2di9 n GLY 13 N 3.48 5.93 3.76 2.12 0.00 -1.26 -5.03 105.19 114.19 2di9 n GLY 13 Ca 0.21 -2.60 -0.38 0.00 0.00 0.00 0.00 46.02 43.25 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 -4.12 2.58 -0.50 1.61 -3.43 -1.26 -4.91 115.29 105.25 2di9 s HIS 14 Ca 0.44 1.42 -0.27 0.00 -0.80 0.00 0.00 55.06 55.84 2di9 s HIS 14 Cb 0.27 -3.66 -0.02 0.00 -1.43 0.00 0.00 32.58 27.74 2di9 s HIS 14 CO -0.20 -2.33 1.80 -1.25 -2.00 0.00 0.00 174.74 170.76 2di9 s PRO 15 N -2.69 2.95 0.47 -0.38 0.04 -1.26 -4.96 135.00 129.17 2di9 s PRO 15 Ca 0.66 0.91 -0.24 0.00 0.04 0.00 0.00 61.00 62.36 2di9 s PRO 15 Cb -0.37 -4.29 -0.08 0.00 0.04 0.00 0.00 34.50 29.80 2di9 s PRO 15 CO 0.45 -2.34 1.27 1.33 0.04 0.00 0.00 177.00 177.75 2di9 n VAL 16 N 7.27 2.96 0.70 -0.36 0.24 -1.26 -4.86 118.33 123.02 2di9 n VAL 16 Ca 0.21 -0.50 0.07 0.00 -2.04 0.00 0.00 64.34 62.08 2di9 n VAL 16 Cb 0.50 -1.56 0.37 0.00 -1.47 0.00 0.00 33.84 31.68 2di9 n VAL 16 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 2di9 n PRO 17 N -0.31 0.22 0.00 7.34 -0.04 -1.26 -4.73 135.00 136.22 2di9 n PRO 17 Ca 0.08 0.14 0.00 0.00 -0.04 0.00 0.00 63.50 63.68 2di9 n PRO 17 Cb 0.42 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.38 2di9 n PRO 17 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2di9 n GLY 18 N -0.03 -2.01 3.58 0.55 0.00 -1.26 -5.17 105.19 100.85 2di9 n GLY 18 Ca 0.07 0.64 -0.08 0.00 0.00 0.00 0.00 46.02 46.65 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 2.00 -0.30 0.00 1.61 1.04 -1.26 -5.01 113.70 111.78 2di9 s SER 19 Ca 0.00 0.28 0.15 0.00 0.48 0.00 0.00 55.95 56.86 2di9 s SER 19 Cb 0.00 0.25 0.83 0.00 0.10 0.00 0.00 66.02 67.20 2di9 s SER 19 CO 0.00 -0.30 1.37 -0.81 0.98 0.00 0.00 173.24 174.48 2di9 n PRO 20 N 0.57 0.34 -0.89 4.02 -0.04 -1.26 -3.27 135.00 134.47 2di9 n PRO 20 Ca -0.08 0.08 -0.18 0.00 -0.04 0.00 0.00 63.50 63.28 2di9 n PRO 20 Cb 0.58 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.61 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 -1.15 1.80 -1.92 0.54 9.36 -1.26 -4.97 117.16 119.56 2di9 n TYR 21 Ca 0.09 -1.88 -0.37 0.00 3.32 0.00 0.00 57.90 59.06 2di9 n TYR 21 Cb 0.09 -0.92 0.04 0.00 -0.63 0.00 0.00 39.34 37.91 2di9 n TYR 21 CO 0.00 0.00 0.00 0.95 0.22 0.00 0.00 176.86 178.03 2di9 s THR 22 N -2.46 2.40 -2.04 2.97 -4.23 -1.20 -4.89 115.64 106.18 2di9 s THR 22 Ca 0.35 0.27 0.16 0.00 -1.18 0.00 0.00 61.69 61.30 2di9 s THR 22 Cb 0.28 -3.12 0.44 0.00 1.34 0.00 0.00 72.50 71.44 2di9 s THR 22 CO 0.02 -0.03 1.58 1.33 -0.54 0.00 0.00 174.62 176.98 2di9 n VAL 23 N -1.30 0.04 -0.86 2.29 0.24 -1.26 -4.22 118.33 113.26 2di9 n VAL 23 Ca 0.12 -0.06 -0.09 0.00 -2.04 0.00 0.00 64.34 62.26 2di9 n VAL 23 Cb 0.48 -0.14 -0.10 0.00 -1.47 0.00 0.00 33.84 32.61 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 -0.55 1.69 -0.12 7.34 -0.58 -1.26 -3.90 120.64 123.26 2di9 n GLU 24 Ca 0.12 -0.79 0.04 0.00 -0.42 0.00 0.00 57.16 56.11 2di9 n GLU 24 Cb 0.10 -1.67 0.10 0.00 -0.57 0.00 0.00 31.44 29.41 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 1.97 2.13 -2.15 0.62 0.00 -1.26 -4.67 120.51 117.14 2di9 n ALA 25 Ca 0.29 -1.13 -0.35 0.00 0.00 0.00 0.00 53.44 52.26 2di9 n ALA 25 Cb 0.74 -0.29 0.02 0.00 0.00 0.00 0.00 19.45 19.93 2di9 n ALA 25 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2di9 n SER 26 N 0.12 6.39 -4.66 0.00 2.88 -1.25 -4.92 113.62 112.18 2di9 n SER 26 Ca 0.08 -3.79 -0.33 0.00 -1.33 0.00 0.00 58.87 53.50 2di9 n SER 26 Cb 0.37 -0.82 -0.09 0.00 -0.75 0.00 0.00 64.21 62.92 2di9 n SER 26 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2di9 s LEU 27 N -3.86 3.41 0.54 2.46 1.43 -1.26 -5.11 118.68 116.29 2di9 s LEU 27 Ca 0.50 -0.03 -0.20 0.00 -1.03 0.00 0.00 54.13 53.37 2di9 s LEU 27 Cb 0.42 -1.94 -0.06 0.00 0.03 0.00 0.00 46.19 44.65 2di9 s LEU 27 CO -0.32 0.29 1.13 -2.16 0.23 0.00 0.00 176.35 175.52 2di9 s PRO 28 N -1.45 3.38 -0.17 1.29 0.04 -1.26 -3.75 135.00 133.08 2di9 s PRO 28 Ca 0.18 1.61 -0.29 0.00 0.04 0.00 0.00 61.00 62.54 2di9 s PRO 28 Cb -0.11 -2.02 -0.03 0.00 0.04 0.00 0.00 34.50 32.37 2di9 s PRO 28 CO 0.09 -0.83 1.58 -1.25 0.04 0.00 0.00 177.00 176.63 2di9 s PRO 29 N -3.26 3.95 -0.49 0.56 0.04 -1.26 -4.21 135.00 130.33 2di9 s PRO 29 Ca 0.72 1.79 -0.05 0.00 0.04 0.00 0.00 61.00 63.51 2di9 s PRO 29 Cb -0.24 -3.99 0.13 0.00 0.04 0.00 0.00 34.50 30.44 2di9 s PRO 29 CO 0.27 -1.11 0.32 -0.51 0.04 0.00 0.00 177.00 176.01 2di9 s ASP 30 N 3.72 5.40 0.29 6.66 1.01 0.54 -4.94 116.67 129.36 2di9 s ASP 30 Ca 0.70 -2.24 0.08 0.00 0.71 0.00 0.00 52.55 51.80 2di9 s ASP 30 Cb -0.27 -1.89 0.45 0.00 1.01 0.00 0.00 42.92 42.23 2di9 s ASP 30 CO 0.27 -0.54 1.68 1.55 0.21 0.00 0.00 175.17 178.35 2di9 h PRO 31 N 7.87 0.16 -0.68 8.23 0.13 -1.87 -3.04 132.00 142.80 2di9 h PRO 31 Ca -0.11 -0.08 0.10 0.00 -0.87 0.00 0.00 66.00 65.03 2di9 h PRO 31 Cb 1.03 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.12 2di9 h PRO 31 CO 0.74 0.60 0.45 1.03 -0.23 0.00 0.00 178.00 180.59 2di9 h SER 32 N 0.13 0.49 1.45 1.44 0.87 -1.94 0.23 113.55 116.22 2di9 h SER 32 Ca 0.01 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 2di9 h SER 32 Cb 0.88 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.75 2di9 h SER 32 CO 0.07 0.29 0.00 0.11 -0.53 0.00 0.00 176.83 176.77 2di9 h LYS 33 N 0.54 0.00 -6.20 2.24 1.79 -1.90 -3.42 116.57 109.62 2di9 h LYS 33 Ca 0.31 0.00 -0.52 0.00 -2.18 0.00 0.00 60.65 58.26 2di9 h LYS 33 Cb 0.50 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 31.08 2di9 h LYS 33 CO -0.10 0.00 1.17 0.08 -1.08 0.00 0.00 179.45 179.52 2di9 s VAL 34 N -3.25 3.63 -0.09 0.50 1.01 0.82 -4.62 120.40 118.41 2di9 s VAL 34 Ca 0.07 0.19 0.04 0.00 0.00 0.00 0.00 61.98 62.29 2di9 s VAL 34 Cb 0.09 -4.63 -0.01 0.00 0.00 0.00 0.00 36.38 31.83 2di9 s VAL 34 CO 0.58 -1.58 -0.22 -0.54 0.00 0.00 0.00 175.10 173.34 2di9 s LYS 35 N 6.06 2.88 -0.23 2.72 3.01 -1.08 -4.68 119.74 128.42 2di9 s LYS 35 Ca 0.46 -0.85 -0.06 0.00 -1.01 0.00 0.00 55.97 54.52 2di9 s LYS 35 Cb -0.08 -2.31 -0.02 0.00 -1.01 0.00 0.00 37.83 34.41 2di9 s LYS 35 CO 0.13 0.29 0.01 0.00 0.51 0.00 0.00 175.35 176.29 2di9 s ALA 36 N 0.08 2.98 -0.04 5.17 0.00 -1.26 -0.63 121.76 128.06 2di9 s ALA 36 Ca -0.10 -1.15 0.02 0.00 0.00 0.00 0.00 51.96 50.73 2di9 s ALA 36 Cb -0.16 -1.88 0.02 0.00 0.00 0.00 0.00 23.12 21.10 2di9 s ALA 36 CO 0.06 -0.45 -0.06 -3.38 0.00 0.00 0.00 175.76 171.92 2di9 s HIS 37 N 1.53 0.86 -4.91 0.00 -3.43 -0.19 -4.98 115.29 104.17 2di9 s HIS 37 Ca 0.06 -0.24 0.00 0.00 -0.80 0.00 0.00 55.06 54.08 2di9 s HIS 37 Cb -0.15 -0.69 0.00 0.00 -1.43 0.00 0.00 32.58 30.31 2di9 s HIS 37 CO 0.00 -0.17 0.00 0.41 -2.00 0.00 0.00 174.74 172.98 2di9 n GLY 38 N 3.79 -2.61 0.07 -1.38 0.00 -1.26 -1.70 105.19 102.10 2di9 n GLY 38 Ca -0.23 -1.30 -0.13 0.00 0.00 0.00 0.00 46.02 44.36 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 -0.04 -1.42 1.61 0.13 -1.90 -3.14 132.00 127.23 2di9 h PRO 39 Ca 0.00 0.00 0.41 0.00 -0.87 0.00 0.00 66.00 65.54 2di9 h PRO 39 Cb 0.00 0.01 -0.06 0.00 0.13 0.00 0.00 31.00 31.08 2di9 h PRO 39 CO 0.00 0.44 1.27 0.78 -0.23 0.00 0.00 178.00 180.25 2di9 h GLY 40 N -0.53 0.00 0.22 1.56 0.00 -0.32 0.69 103.07 104.69 2di9 h GLY 40 Ca -0.00 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.26 2di9 h GLY 40 CO 0.01 0.00 -0.27 1.41 0.00 0.00 0.00 176.54 177.69 2di9 h LEU 41 N 0.00 0.15 -0.70 3.11 3.38 -1.77 -3.34 115.31 116.14 2di9 h LEU 41 Ca 0.68 -0.98 -0.07 0.00 0.09 0.00 0.00 57.88 57.59 2di9 h LEU 41 Cb 3.20 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 43.87 2di9 h LEU 41 CO -0.01 1.13 0.17 -0.33 0.09 0.00 0.00 178.44 179.49 2di9 h GLU 42 N -0.80 1.12 0.00 1.13 4.39 0.19 -3.04 114.58 117.57 2di9 h GLU 42 Ca -0.05 -0.27 0.00 0.00 0.34 0.00 0.00 59.36 59.38 2di9 h GLU 42 Cb 1.21 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.71 2di9 h GLU 42 CO 0.05 0.99 0.00 0.41 -1.16 0.00 0.00 179.01 179.30 2di9 n GLY 43 N -0.66 0.01 0.00 -3.84 0.00 0.44 -0.45 105.19 100.69 2di9 n GLY 43 Ca 0.05 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 44.69 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 0.62 3.08 -0.02 0.00 -1.19 -4.01 105.19 103.66 2di9 n GLY 44 Ca 0.00 0.32 -0.10 0.00 0.00 0.00 0.00 46.02 46.24 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 1.84 0.47 0.99 1.43 -1.26 -2.00 118.68 120.15 2di9 s LEU 45 Ca 0.00 -0.41 -0.24 0.00 -1.03 0.00 0.00 54.13 52.45 2di9 s LEU 45 Cb 0.00 0.49 -0.07 0.00 0.03 0.00 0.00 46.19 46.64 2di9 s LEU 45 CO 0.00 -0.40 1.37 -0.69 0.23 0.00 0.00 176.35 176.86 2di9 s VAL 46 N -1.84 2.24 -1.70 -1.59 1.01 -0.97 -2.04 120.40 115.52 2di9 s VAL 46 Ca -0.12 0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.07 2di9 s VAL 46 Cb -0.06 -3.11 0.00 0.00 0.00 0.00 0.00 36.38 33.21 2di9 s VAL 46 CO -0.01 0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.72 2di9 n GLY 47 N 0.63 1.52 3.34 4.51 0.00 -0.76 -4.79 105.19 109.65 2di9 n GLY 47 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.33 1.62 0.11 1.61 -0.14 -0.86 -4.96 119.74 113.79 2di9 s LYS 48 Ca 0.00 -1.15 -0.31 0.00 -1.36 0.00 0.00 55.97 53.15 2di9 s LYS 48 Cb 0.00 -1.87 -0.08 0.00 -1.68 0.00 0.00 37.83 34.20 2di9 s LYS 48 CO 0.00 0.47 1.36 -1.25 -0.76 0.00 0.00 175.35 175.17 2di9 s PRO 49 N -1.46 4.34 -0.06 -1.68 0.04 -1.26 -4.28 135.00 130.63 2di9 s PRO 49 Ca 0.11 2.03 -0.01 0.00 0.04 0.00 0.00 61.00 63.18 2di9 s PRO 49 Cb -0.10 -3.26 0.03 0.00 0.04 0.00 0.00 34.50 31.21 2di9 s PRO 49 CO 0.03 -0.40 0.01 0.00 0.04 0.00 0.00 177.00 176.68 2di9 s ALA 50 N 1.04 0.58 0.35 8.56 0.00 -0.45 -4.91 121.76 126.94 2di9 s ALA 50 Ca 0.63 -0.04 0.04 0.00 0.00 0.00 0.00 51.96 52.60 2di9 s ALA 50 Cb -0.36 -0.68 -0.03 0.00 0.00 0.00 0.00 23.12 22.06 2di9 s ALA 50 CO 0.30 -0.42 0.18 -1.83 0.00 0.00 0.00 175.76 174.00 2di9 s GLU 51 N 1.89 1.75 0.30 0.00 4.04 -1.26 -1.20 118.70 124.23 2di9 s GLU 51 Ca 0.03 -2.03 -0.03 0.00 0.04 0.00 0.00 54.97 52.98 2di9 s GLU 51 Cb -0.12 -0.15 -0.01 0.00 0.02 0.00 0.00 34.13 33.87 2di9 s GLU 51 CO -0.04 -0.51 0.41 -0.59 -1.84 0.00 0.00 175.26 172.68 2di9 s PHE 52 N -3.43 1.03 -0.25 4.83 -0.71 -1.23 0.27 117.98 118.48 2di9 s PHE 52 Ca 0.33 -1.24 -0.06 0.00 -1.04 0.00 0.00 56.93 54.92 2di9 s PHE 52 Cb 0.03 -0.17 -0.02 0.00 -1.21 0.00 0.00 43.02 41.66 2di9 s PHE 52 CO 0.19 -1.01 0.03 0.99 -1.34 0.00 0.00 175.22 174.08 2di9 s THR 53 N -3.42 3.92 -0.17 -4.49 2.01 -0.69 -4.20 115.64 108.60 2di9 s THR 53 Ca 0.31 -0.37 -0.07 0.00 0.31 0.00 0.00 61.69 61.88 2di9 s THR 53 Cb 0.01 -2.85 -0.04 0.00 0.01 0.00 0.00 72.50 69.63 2di9 s THR 53 CO 0.18 0.33 0.07 -0.63 -0.69 0.00 0.00 174.62 173.88 2di9 s ILE 54 N 1.55 4.89 -0.34 1.82 1.01 -1.14 -1.02 121.20 127.97 2di9 s ILE 54 Ca 0.06 -0.00 -0.12 0.00 0.00 0.00 0.00 60.65 60.59 2di9 s ILE 54 Cb -0.15 -3.19 -0.01 0.00 0.01 0.00 0.00 42.46 39.13 2di9 s ILE 54 CO 0.01 0.49 0.21 -1.81 0.00 0.00 0.00 174.94 173.84 2di9 s ASP 55 N 0.08 5.85 -0.08 3.58 1.11 0.20 -3.25 116.67 124.16 2di9 s ASP 55 Ca 0.06 -0.56 0.11 0.00 0.18 0.00 0.00 52.55 52.34 2di9 s ASP 55 Cb -0.12 -2.08 0.17 0.00 1.07 0.00 0.00 42.92 41.96 2di9 s ASP 55 CO 0.00 -0.26 1.07 0.35 1.18 0.00 0.00 175.17 177.51 2di9 n THR 56 N 5.06 1.23 -2.24 -1.27 -2.24 -1.23 -2.62 114.28 110.96 2di9 n THR 56 Ca -0.13 -1.46 -0.43 0.00 -2.27 0.00 0.00 64.05 59.77 2di9 n THR 56 Cb 0.49 0.08 -0.02 0.00 -2.10 0.00 0.00 70.33 68.78 2di9 n THR 56 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 2di9 s LYS 57 N -1.82 3.99 0.00 -0.78 -2.85 -1.25 -2.69 119.74 114.34 2di9 s LYS 57 Ca 0.19 1.66 0.00 0.00 -1.00 0.00 0.00 55.97 56.82 2di9 s LYS 57 Cb 0.17 -3.93 0.00 0.00 -2.06 0.00 0.00 37.83 32.01 2di9 s LYS 57 CO 0.02 -1.04 0.00 0.41 0.10 0.00 0.00 175.35 174.84 2di9 n GLY 58 N 4.25 3.11 0.28 0.59 0.00 -1.26 -4.91 105.19 107.24 2di9 n GLY 58 Ca 0.16 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.18 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 0.35 0.00 4.61 0.00 -1.76 -3.46 119.26 119.00 2di9 h ALA 59 Ca 0.00 0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2di9 h ALA 59 Cb 0.00 0.57 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2di9 h ALA 59 CO 0.00 -0.47 0.00 0.41 0.00 0.00 0.00 179.25 179.19 2di9 n GLY 60 N -1.46 0.47 3.17 0.00 0.00 -1.26 -0.34 105.19 105.78 2di9 n GLY 60 Ca 0.08 -1.09 -0.12 0.00 0.00 0.00 0.00 46.02 44.89 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 -0.03 -0.17 2.61 2.01 -1.25 -4.99 115.64 113.83 2di9 s THR 61 Ca 0.00 0.10 0.00 0.00 0.31 0.00 0.00 61.69 62.10 2di9 s THR 61 Cb 0.00 -0.49 0.00 0.00 0.01 0.00 0.00 72.50 72.02 2di9 s THR 61 CO 0.00 0.04 0.00 0.61 -0.69 0.00 0.00 174.62 174.58 2di9 n GLY 62 N 3.97 -0.69 3.13 4.40 0.00 -1.26 -4.33 105.19 110.41 2di9 n GLY 62 Ca -0.22 -0.43 -0.33 0.00 0.00 0.00 0.00 46.02 45.04 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 1.39 -0.12 -0.02 0.00 -1.26 -4.97 107.32 102.34 2di9 s GLY 63 Ca 0.00 -1.21 -0.13 0.00 0.00 0.00 0.00 44.72 43.38 2di9 s GLY 63 CO 0.00 0.27 0.29 -2.27 0.00 0.00 0.00 173.10 171.38 2di9 s LEU 64 N 1.27 4.31 -0.18 0.66 2.96 -1.26 -0.22 118.68 126.22 2di9 s LEU 64 Ca 0.04 0.58 -0.03 0.00 -0.22 0.00 0.00 54.13 54.51 2di9 s LEU 64 Cb -0.13 -2.36 -0.01 0.00 0.50 0.00 0.00 46.19 44.18 2di9 s LEU 64 CO -0.12 0.19 -0.07 -0.83 -1.32 0.00 0.00 176.35 174.20 2di9 s GLY 65 N -0.07 1.61 -0.20 7.98 0.00 0.11 -4.99 107.32 111.77 2di9 s GLY 65 Ca 0.17 -1.01 0.01 0.00 0.00 0.00 0.00 44.72 43.90 2di9 s GLY 65 CO 0.06 0.14 -0.16 -2.27 0.00 0.00 0.00 173.10 170.87 2di9 s LEU 66 N 0.90 2.46 -0.06 0.66 2.96 -1.25 -2.47 118.68 121.87 2di9 s LEU 66 Ca -0.01 -0.87 0.01 0.00 -0.22 0.00 0.00 54.13 53.04 2di9 s LEU 66 Cb -0.15 -1.44 0.02 0.00 0.50 0.00 0.00 46.19 45.13 2di9 s LEU 66 CO 0.01 -0.08 -0.06 0.42 -1.32 0.00 0.00 176.35 175.32 2di9 s THR 67 N 1.27 0.75 -0.62 3.68 -4.23 -1.06 -4.96 115.64 110.46 2di9 s THR 67 Ca 0.00 -0.21 -0.24 0.00 -1.18 0.00 0.00 61.69 60.07 2di9 s THR 67 Cb -0.15 -0.76 0.05 0.00 1.34 0.00 0.00 72.50 72.98 2di9 s THR 67 CO -0.10 0.29 0.99 -0.69 -0.54 0.00 0.00 174.62 174.57 2di9 s VAL 68 N 1.11 4.28 -1.29 2.29 1.01 -1.26 -0.94 120.40 125.59 2di9 s VAL 68 Ca -0.07 0.01 -0.08 0.00 0.00 0.00 0.00 61.98 61.83 2di9 s VAL 68 Cb -0.14 -4.65 0.15 0.00 0.00 0.00 0.00 36.38 31.74 2di9 s VAL 68 CO -0.01 -1.36 2.02 -0.62 0.00 0.00 0.00 175.10 175.12 2di9 n GLU 69 N 7.81 3.90 -3.22 2.72 -0.58 0.24 -4.85 120.64 126.66 2di9 n GLU 69 Ca -0.01 -3.51 -0.21 0.00 -0.42 0.00 0.00 57.16 53.02 2di9 n GLU 69 Cb 0.47 -2.84 0.03 0.00 -0.57 0.00 0.00 31.44 28.52 2di9 n GLU 69 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2di9 n GLY 70 N 2.49 2.44 0.00 0.62 0.00 -1.26 -3.56 105.19 105.92 2di9 n GLY 70 Ca 0.46 -2.26 0.07 0.00 0.00 0.00 0.00 46.02 44.29 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 -1.83 0.13 -3.83 1.61 -0.04 -1.26 -4.77 135.00 125.02 2di9 n PRO 71 Ca 0.05 0.19 -0.09 0.00 -0.04 0.00 0.00 63.50 63.60 2di9 n PRO 71 Cb 0.54 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.44 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 -3.88 3.34 -0.12 0.00 2.12 -1.26 -4.97 118.70 113.93 2di9 s GLU 73 Ca 0.08 -0.21 -0.04 0.00 0.36 0.00 0.00 54.97 55.16 2di9 s GLU 73 Cb 0.03 -4.07 -0.04 0.00 0.26 0.00 0.00 34.13 30.32 2di9 s GLU 73 CO -0.07 -1.59 0.04 0.00 -0.54 0.00 0.00 175.26 173.09 2di9 s ALA 74 N 4.26 3.40 0.65 6.30 0.00 -1.26 -4.96 121.76 130.15 2di9 s ALA 74 Ca 0.32 -0.76 -0.18 0.00 0.00 0.00 0.00 51.96 51.34 2di9 s ALA 74 Cb -0.12 -1.68 -0.01 0.00 0.00 0.00 0.00 23.12 21.32 2di9 s ALA 74 CO 0.19 0.47 1.29 1.17 0.00 0.00 0.00 175.76 178.89 2di9 n LYS 75 N 2.53 1.12 -3.88 0.00 4.81 -1.26 -4.90 118.16 116.58 2di9 n LYS 75 Ca -0.18 0.44 -0.21 0.00 -0.87 0.00 0.00 58.31 57.48 2di9 n LYS 75 Cb 0.53 -2.53 -0.17 0.00 0.02 0.00 0.00 35.03 32.89 2di9 n LYS 75 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 2di9 s ILE 76 N -1.38 0.37 -0.35 3.15 1.01 -1.26 -3.13 121.20 119.61 2di9 s ILE 76 Ca 0.83 0.07 -0.02 0.00 0.00 0.00 0.00 60.65 61.53 2di9 s ILE 76 Cb -0.38 -0.49 0.08 0.00 0.01 0.00 0.00 42.46 41.67 2di9 s ILE 76 CO 0.40 0.23 0.09 -1.61 0.00 0.00 0.00 174.94 174.05 2di9 s GLU 77 N 1.59 2.19 -0.31 2.79 2.02 0.78 -4.98 118.70 122.78 2di9 s GLU 77 Ca -0.01 -1.53 -0.11 0.00 0.02 0.00 0.00 54.97 53.34 2di9 s GLU 77 Cb -0.13 -3.35 -0.03 0.00 0.10 0.00 0.00 34.13 30.73 2di9 s GLU 77 CO -0.03 -0.82 0.19 0.00 0.02 0.00 0.00 175.26 174.61 2di9 s SER 79 N 1.70 1.81 0.64 0.00 0.15 -1.11 -5.00 113.70 111.89 2di9 s SER 79 Ca 0.06 -0.17 -0.17 0.00 0.70 0.00 0.00 55.95 56.37 2di9 s SER 79 Cb -0.17 -0.57 -0.01 0.00 -1.71 0.00 0.00 66.02 63.56 2di9 s SER 79 CO 0.09 -0.17 1.20 -1.81 1.20 0.00 0.00 173.24 173.75 2di9 s ASP 80 N 1.89 4.91 -0.15 5.45 1.01 -1.26 -2.39 116.67 126.12 2di9 s ASP 80 Ca 0.05 2.34 -0.17 0.00 0.71 0.00 0.00 52.55 55.48 2di9 s ASP 80 Cb -0.12 -2.59 -0.24 0.00 1.01 0.00 0.00 42.92 40.98 2di9 s ASP 80 CO -0.06 -1.78 0.39 0.78 0.21 0.00 0.00 175.17 174.71 2di9 h ASN 81 N 0.47 0.21 0.00 0.27 2.35 -1.86 -3.46 115.58 113.56 2di9 h ASN 81 Ca -0.49 -0.74 0.00 0.00 -0.55 0.00 0.00 56.30 54.52 2di9 h ASN 81 Cb 1.29 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 39.60 2di9 h ASN 81 CO 0.53 1.57 0.00 0.61 -1.65 0.00 0.00 177.43 178.50 2di9 n GLY 82 N 1.65 0.90 0.01 2.83 0.00 -1.26 -4.93 105.19 104.40 2di9 n GLY 82 Ca -0.28 0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.85 2di9 n GLY 82 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2di9 n ASP 83 N 0.00 0.68 0.00 1.61 8.00 -1.26 -4.93 116.55 120.66 2di9 n ASP 83 Ca 0.00 -0.50 0.00 0.00 0.71 0.00 0.00 54.79 55.00 2di9 n ASP 83 Cb 0.00 0.92 0.00 0.00 -0.02 0.00 0.00 41.12 42.02 2di9 n ASP 83 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2di9 n GLY 84 N 1.43 0.68 3.56 0.44 0.00 -1.26 -5.06 105.19 104.98 2di9 n GLY 84 Ca 0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.35 0.65 0.06 2.61 -4.23 -1.26 -3.56 115.64 108.55 2di9 s THR 85 Ca 0.00 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.55 2di9 s THR 85 Cb 0.00 -2.29 -0.03 0.00 1.34 0.00 0.00 72.50 71.53 2di9 s THR 85 CO 0.00 0.00 -0.12 0.00 -0.54 0.00 0.00 174.62 173.96 2di9 s SER 87 N -1.59 3.90 -0.26 0.00 0.15 -1.01 -2.90 113.70 111.99 2di9 s SER 87 Ca -0.05 -2.09 -0.14 0.00 0.70 0.00 0.00 55.95 54.38 2di9 s SER 87 Cb -0.10 -0.97 -0.04 0.00 -1.71 0.00 0.00 66.02 63.20 2di9 s SER 87 CO 0.01 -0.35 0.31 -0.69 1.20 0.00 0.00 173.24 173.73 2di9 s VAL 88 N 1.05 5.23 -0.11 4.45 1.01 -1.26 -2.74 120.40 128.02 2di9 s VAL 88 Ca 0.13 0.46 0.01 0.00 0.00 0.00 0.00 61.98 62.58 2di9 s VAL 88 Cb -0.20 -3.64 -0.02 0.00 0.00 0.00 0.00 36.38 32.51 2di9 s VAL 88 CO -0.13 0.21 -0.13 -0.94 0.00 0.00 0.00 175.10 174.10 2di9 s SER 89 N 1.55 4.00 0.18 3.32 1.04 0.48 -3.55 113.70 120.71 2di9 s SER 89 Ca 0.13 -0.30 0.08 0.00 0.48 0.00 0.00 55.95 56.34 2di9 s SER 89 Cb -0.15 -1.44 -0.04 0.00 0.10 0.00 0.00 66.02 64.48 2di9 s SER 89 CO 0.09 0.21 -0.16 -0.72 0.98 0.00 0.00 173.24 173.64 2di9 s TYR 90 N 0.11 1.73 -0.28 5.02 1.13 -0.34 -0.16 117.35 124.55 2di9 s TYR 90 Ca -0.06 -0.52 -0.00 0.00 -1.41 0.00 0.00 57.07 55.07 2di9 s TYR 90 Cb -0.15 -0.84 0.09 0.00 -1.10 0.00 0.00 41.96 39.96 2di9 s TYR 90 CO 0.05 0.33 0.05 -0.51 -2.51 0.00 0.00 175.55 172.96 2di9 s LEU 91 N -2.95 2.48 1.03 -3.49 1.43 -1.18 -1.33 118.68 114.66 2di9 s LEU 91 Ca 0.18 -1.49 -0.13 0.00 -1.03 0.00 0.00 54.13 51.66 2di9 s LEU 91 Cb -0.03 -0.99 0.21 0.00 0.03 0.00 0.00 46.19 45.41 2di9 s LEU 91 CO 0.06 -0.36 1.09 -2.16 0.23 0.00 0.00 176.35 175.22 2di9 s PRO 92 N 1.52 0.14 -0.09 1.29 0.04 -1.26 -4.04 135.00 132.59 2di9 s PRO 92 Ca 0.05 0.42 0.03 0.00 0.04 0.00 0.00 61.00 61.54 2di9 s PRO 92 Cb -0.18 -1.71 -0.07 0.00 0.04 0.00 0.00 34.50 32.58 2di9 s PRO 92 CO -0.17 -2.91 -0.05 -2.37 0.04 0.00 0.00 177.00 171.55 2di9 n THR 93 N -4.28 0.54 -4.07 1.26 5.66 -1.26 -1.82 114.28 110.31 2di9 n THR 93 Ca 0.06 -0.25 -0.09 0.00 -3.05 0.00 0.00 64.05 60.72 2di9 n THR 93 Cb 0.58 -0.83 -0.11 0.00 -1.55 0.00 0.00 70.33 68.42 2di9 n THR 93 CO 0.00 0.00 0.00 -1.59 -3.05 0.00 0.00 175.07 170.43 2di9 s LYS 94 N -2.19 0.55 0.10 1.09 0.00 -1.26 -4.54 119.74 113.49 2di9 s LYS 94 Ca -0.10 -0.97 -0.31 0.00 0.00 0.00 0.00 55.97 54.59 2di9 s LYS 94 Cb 0.03 0.01 -0.07 0.00 0.00 0.00 0.00 37.83 37.79 2di9 s LYS 94 CO 0.25 -0.04 1.37 -1.25 0.00 0.00 0.00 175.35 175.68 2di9 s PRO 95 N -2.73 4.33 0.00 1.78 0.04 -1.26 -4.86 135.00 132.29 2di9 s PRO 95 Ca -0.02 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.06 2di9 s PRO 95 Cb -0.01 -3.29 0.00 0.00 0.04 0.00 0.00 34.50 31.24 2di9 s PRO 95 CO -0.04 -0.43 0.00 0.41 0.04 0.00 0.00 177.00 176.97 2di9 n GLY 96 N 3.48 0.55 3.01 0.56 0.00 -1.23 -5.00 105.19 106.56 2di9 n GLY 96 Ca 0.11 0.41 -0.13 0.00 0.00 0.00 0.00 46.02 46.41 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 3.47 0.17 -0.12 1.61 2.02 -1.26 -2.55 118.70 122.04 2di9 s GLU 97 Ca 0.00 0.56 0.03 0.00 0.02 0.00 0.00 54.97 55.58 2di9 s GLU 97 Cb 0.00 -0.12 0.00 0.00 0.10 0.00 0.00 34.13 34.11 2di9 s GLU 97 CO 0.00 -0.20 -0.23 0.71 0.02 0.00 0.00 175.26 175.56 2di9 s TYR 98 N 1.58 2.62 -0.43 1.61 1.51 -1.07 -4.00 117.35 119.17 2di9 s TYR 98 Ca -0.06 -1.17 -0.15 0.00 -1.01 0.00 0.00 57.07 54.68 2di9 s TYR 98 Cb -0.11 -1.77 0.04 0.00 -0.11 0.00 0.00 41.96 40.01 2di9 s TYR 98 CO -0.08 -0.50 0.32 -0.06 -1.11 0.00 0.00 175.55 174.12 2di9 s PHE 99 N 0.57 3.25 -0.53 2.71 0.40 -1.23 -1.18 117.98 121.97 2di9 s PHE 99 Ca -0.13 -0.77 -0.27 0.00 -0.60 0.00 0.00 56.93 55.16 2di9 s PHE 99 Cb -0.17 -2.79 0.03 0.00 0.51 0.00 0.00 43.02 40.60 2di9 s PHE 99 CO 0.04 -0.68 1.08 0.08 0.70 0.00 0.00 175.22 176.45 2di9 s VAL 100 N 1.65 4.22 -0.39 -0.44 1.01 -1.22 -0.59 120.40 124.63 2di9 s VAL 100 Ca 0.04 0.84 -0.28 0.00 0.00 0.00 0.00 61.98 62.59 2di9 s VAL 100 Cb -0.21 -4.61 0.02 0.00 0.00 0.00 0.00 36.38 31.58 2di9 s VAL 100 CO 0.08 -1.12 1.04 0.20 0.00 0.00 0.00 175.10 175.30 2di9 s ASN 101 N 2.68 6.74 -0.30 3.32 0.01 -0.12 -2.35 114.94 124.94 2di9 s ASN 101 Ca 0.41 0.68 -0.03 0.00 -0.71 0.00 0.00 52.86 53.21 2di9 s ASN 101 Cb -0.09 -2.52 0.04 0.00 0.41 0.00 0.00 41.25 39.10 2di9 s ASN 101 CO 0.26 -1.00 0.01 -0.63 -1.51 0.00 0.00 177.10 174.23 2di9 s ILE 102 N 3.86 3.17 -0.05 0.60 1.01 -1.26 -2.57 121.20 125.97 2di9 s ILE 102 Ca 0.44 -1.22 0.02 0.00 0.00 0.00 0.00 60.65 59.88 2di9 s ILE 102 Cb -0.10 -2.76 0.02 0.00 0.01 0.00 0.00 42.46 39.62 2di9 s ILE 102 CO 0.22 -0.05 -0.07 -1.48 0.00 0.00 0.00 174.94 173.56 2di9 s LEU 103 N 1.31 1.49 -0.35 2.97 0.05 -1.03 -1.41 118.68 121.71 2di9 s LEU 103 Ca -0.03 -0.18 -0.11 0.00 0.05 0.00 0.00 54.13 53.86 2di9 s LEU 103 Cb -0.19 -0.55 0.01 0.00 -2.05 0.00 0.00 46.19 43.41 2di9 s LEU 103 CO -0.01 -0.01 0.20 0.12 -0.55 0.00 0.00 176.35 176.10 2di9 s PHE 104 N 0.72 3.22 -1.20 3.48 5.36 0.15 -0.71 117.98 129.00 2di9 s PHE 104 Ca -0.11 -0.67 -0.05 0.00 -0.96 0.00 0.00 56.93 55.14 2di9 s PHE 104 Cb -0.14 -2.43 0.01 0.00 -0.34 0.00 0.00 43.02 40.11 2di9 s PHE 104 CO 0.01 -0.53 1.03 0.39 -1.46 0.00 0.00 175.22 174.66 2di9 n GLU 105 N 5.03 -6.86 -2.29 10.12 -0.58 0.70 -2.15 120.64 124.60 2di9 n GLU 105 Ca -0.13 0.78 -0.12 0.00 -0.42 0.00 0.00 57.16 57.28 2di9 n GLU 105 Cb 0.48 -5.64 -0.00 0.00 -0.57 0.00 0.00 31.44 25.70 2di9 n GLU 105 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2di9 n GLU 106 N -4.34 -1.22 -3.77 3.49 1.02 -1.26 -5.01 120.64 109.55 2di9 n GLU 106 Ca -0.12 0.55 -0.27 0.00 -0.02 0.00 0.00 57.16 57.30 2di9 n GLU 106 Cb 0.60 -4.67 -0.17 0.00 -0.02 0.00 0.00 31.44 27.19 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 -2.63 0.60 0.07 2.62 1.01 -0.92 -5.11 120.40 116.05 2di9 s VAL 107 Ca 0.03 -0.44 -0.31 0.00 0.00 0.00 0.00 61.98 61.26 2di9 s VAL 107 Cb -0.01 -0.98 -0.09 0.00 0.00 0.00 0.00 36.38 35.30 2di9 s VAL 107 CO 0.03 -0.06 1.82 -1.00 0.00 0.00 0.00 175.10 175.90 2di9 s HIS 108 N 1.84 1.93 0.56 5.22 3.76 -1.26 0.30 115.29 127.64 2di9 s HIS 108 Ca 0.00 -0.07 -0.18 0.00 -0.15 0.00 0.00 55.06 54.67 2di9 s HIS 108 Cb -0.16 -4.14 -0.05 0.00 1.11 0.00 0.00 32.58 29.35 2di9 s HIS 108 CO -0.07 -4.80 1.09 0.96 -0.85 0.00 0.00 174.74 171.07 2di9 s ILE 109 N 3.33 3.43 -1.05 0.60 -4.36 -0.50 -4.91 121.20 117.74 2di9 s ILE 109 Ca 0.81 0.80 -0.24 0.00 -0.26 0.00 0.00 60.65 61.77 2di9 s ILE 109 Cb -0.43 -3.30 -0.07 0.00 1.25 0.00 0.00 42.46 39.91 2di9 s ILE 109 CO 0.36 -0.28 1.94 -2.16 0.24 0.00 0.00 174.94 175.04 2di9 s PRO 110 N -3.59 2.52 0.00 0.37 0.04 -1.26 -2.38 135.00 130.70 2di9 s PRO 110 Ca 0.69 -0.76 0.00 0.00 0.04 0.00 0.00 61.00 60.96 2di9 s PRO 110 Cb -0.20 -5.16 0.00 0.00 0.04 0.00 0.00 34.50 29.18 2di9 s PRO 110 CO 0.30 -3.71 0.00 0.41 0.04 0.00 0.00 177.00 174.05 2di9 n GLY 111 N 6.29 0.23 3.84 0.56 0.00 -1.26 -5.02 105.19 109.83 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 5.77 1.08 1.61 1.04 -1.00 -4.22 113.70 117.98 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 -1.58 0.23 0.00 0.10 0.00 0.00 66.02 64.77 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 -3.19 -0.25 -0.40 4.02 0.04 -1.26 -4.86 135.00 129.10 2di9 s PRO 113 Ca 0.32 0.29 0.01 0.00 0.04 0.00 0.00 61.00 61.66 2di9 s PRO 113 Cb -0.10 -1.68 0.11 0.00 0.04 0.00 0.00 34.50 32.87 2di9 s PRO 113 CO 0.25 -3.14 0.15 -0.06 0.04 0.00 0.00 177.00 174.24 2di9 s PHE 114 N -2.98 3.62 -0.10 0.56 0.40 -0.99 -4.86 117.98 113.63 2di9 s PHE 114 Ca 0.67 -2.83 -0.34 0.00 -0.60 0.00 0.00 56.93 53.84 2di9 s PHE 114 Cb -0.15 -3.03 -0.11 0.00 0.51 0.00 0.00 43.02 40.24 2di9 s PHE 114 CO 0.57 -0.92 1.93 1.17 0.70 0.00 0.00 175.22 178.67 2di9 n LYS 115 N 4.17 2.16 -3.85 0.44 4.81 -1.26 -3.44 118.16 121.19 2di9 n LYS 115 Ca 0.02 0.78 -0.35 0.00 -0.87 0.00 0.00 58.31 57.89 2di9 n LYS 115 Cb 0.40 -2.70 -0.13 0.00 0.02 0.00 0.00 35.03 32.62 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 4.58 2.99 -0.40 3.14 0.00 -0.32 -4.47 121.76 127.28 2di9 s ALA 116 Ca 0.94 -2.18 -0.29 0.00 0.00 0.00 0.00 51.96 50.44 2di9 s ALA 116 Cb -0.66 -2.17 0.02 0.00 0.00 0.00 0.00 23.12 20.30 2di9 s ALA 116 CO 0.50 -1.55 1.27 -0.51 0.00 0.00 0.00 175.76 175.47 2di9 s ASP 117 N 1.50 6.55 -0.05 0.00 1.01 0.41 -2.60 116.67 123.49 2di9 s ASP 117 Ca 0.02 0.81 -0.16 0.00 0.71 0.00 0.00 52.55 53.93 2di9 s ASP 117 Cb -0.21 -2.54 -0.05 0.00 1.01 0.00 0.00 42.92 41.12 2di9 s ASP 117 CO -0.03 -1.26 0.41 -0.63 0.21 0.00 0.00 175.17 173.88 2di9 s ILE 118 N 4.74 5.11 0.37 0.77 -1.09 -1.06 -3.18 121.20 126.86 2di9 s ILE 118 Ca 0.54 0.83 0.08 0.00 -2.23 0.00 0.00 60.65 59.88 2di9 s ILE 118 Cb -0.12 -3.73 -0.05 0.00 -1.58 0.00 0.00 42.46 36.98 2di9 s ILE 118 CO 0.29 0.48 0.14 -1.61 -1.23 0.00 0.00 174.94 173.02 2di9 s GLU 119 N -0.41 2.28 -0.22 2.79 0.41 -0.85 -3.49 118.70 119.21 2di9 s GLU 119 Ca 0.23 -1.68 -0.21 0.00 -0.41 0.00 0.00 54.97 52.90 2di9 s GLU 119 Cb -0.16 -2.07 -0.02 0.00 -1.78 0.00 0.00 34.13 30.10 2di9 s GLU 119 CO 0.11 0.02 0.64 -1.64 -0.49 0.00 0.00 175.26 173.90 2di9 s MET 120 N -3.86 4.17 1.05 1.61 -1.94 -1.26 -2.28 119.30 116.80 2di9 s MET 120 Ca 0.39 0.60 -0.14 0.00 -1.71 0.00 0.00 55.69 54.83 2di9 s MET 120 Cb 0.00 -3.61 0.21 0.00 2.01 0.00 0.00 34.83 33.45 2di9 s MET 120 CO 0.22 -0.32 1.10 -1.25 -0.01 0.00 0.00 175.02 174.76 2di9 s PRO 121 N 2.17 0.01 0.34 2.03 0.04 -1.26 -4.98 135.00 133.35 2di9 s PRO 121 Ca 0.28 0.38 0.04 0.00 0.04 0.00 0.00 61.00 61.73 2di9 s PRO 121 Cb -0.16 -1.70 -0.02 0.00 0.04 0.00 0.00 34.50 32.67 2di9 s PRO 121 CO 0.09 -2.99 0.51 -0.59 0.04 0.00 0.00 177.00 174.07 2di9 s PHE 122 N -2.97 3.27 0.07 0.56 -0.71 -1.26 -5.07 117.98 111.88 2di9 s PHE 122 Ca 0.67 0.02 0.02 0.00 -1.04 0.00 0.00 56.93 56.59 2di9 s PHE 122 Cb -0.17 -1.97 -0.04 0.00 -1.21 0.00 0.00 43.02 39.63 2di9 s PHE 122 CO 0.57 0.02 0.15 -0.51 -1.34 0.00 0.00 175.22 174.11 2di9 s ASP 123 N -4.12 5.93 0.46 1.98 1.11 -1.26 -5.09 116.67 115.67 2di9 s ASP 123 Ca 0.43 0.12 -0.23 0.00 0.18 0.00 0.00 52.55 53.05 2di9 s ASP 123 Cb -0.10 -1.71 -0.07 0.00 1.07 0.00 0.00 42.92 42.11 2di9 s ASP 123 CO 0.33 0.17 1.17 -2.16 1.18 0.00 0.00 175.17 175.85 2di9 s PRO 124 N -2.49 3.78 -0.15 8.23 0.04 -1.26 -4.99 135.00 138.17 2di9 s PRO 124 Ca 0.32 1.78 -0.17 0.00 0.04 0.00 0.00 61.00 62.97 2di9 s PRO 124 Cb -0.12 -2.43 -0.24 0.00 0.04 0.00 0.00 34.50 31.75 2di9 s PRO 124 CO 0.25 -0.54 0.42 0.77 0.04 0.00 0.00 177.00 177.94 2di9 h SER 125 N 2.09 0.23 -5.59 6.66 0.02 -2.09 -3.50 113.55 111.38 2di9 h SER 125 Ca -0.49 -0.76 0.24 0.00 -0.84 0.00 0.00 61.79 59.94 2di9 h SER 125 Cb 1.25 -0.07 -0.06 0.00 0.14 0.00 0.00 62.40 63.65 2di9 h SER 125 CO 0.60 1.58 0.71 -0.94 -1.14 0.00 0.00 176.83 177.64 2di9 s SER 126 N -6.92 -0.02 0.26 3.07 1.04 -1.26 -5.19 113.70 104.68 2di9 s SER 126 Ca -0.23 -0.43 0.09 0.00 0.48 0.00 0.00 55.95 55.86 2di9 s SER 126 Cb 0.05 0.34 -0.05 0.00 0.10 0.00 0.00 66.02 66.46 2di9 s SER 126 CO 0.70 -0.67 -0.13 -0.83 0.98 0.00 0.00 173.24 173.29 2di9 s GLY 127 N -3.42 1.75 0.11 7.32 0.00 -1.26 -5.02 107.32 106.79 2di9 s GLY 127 Ca 0.22 -1.83 0.18 0.00 0.00 0.00 0.00 44.72 43.29 2di9 s GLY 127 CO 0.02 -1.87 1.57 -1.55 0.00 0.00 0.00 173.10 171.27 2di9 n PRO 128 N -0.55 0.08 -3.47 2.90 -0.04 -1.26 -4.52 135.00 128.15 2di9 n PRO 128 Ca -0.06 0.33 -0.43 0.00 -0.04 0.00 0.00 63.50 63.30 2di9 n PRO 128 Cb 0.62 -1.66 -0.10 0.00 -0.04 0.00 0.00 33.50 32.31 2di9 n PRO 128 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2di9 s SER 129 N -3.54 6.07 -0.05 3.54 0.01 -1.26 -4.94 113.70 113.54 2di9 s SER 129 Ca 0.06 -0.95 -0.18 0.00 1.31 0.00 0.00 55.95 56.18 2di9 s SER 129 Cb 0.09 -2.15 -0.31 0.00 0.21 0.00 0.00 66.02 63.86 2di9 s SER 129 CO 0.32 -0.46 0.80 0.77 0.41 0.00 0.00 173.24 175.08 2di9 h SER 130 N 8.62 0.54 -0.02 2.44 4.64 -2.05 -3.54 113.55 124.18 2di9 h SER 130 Ca -0.27 -0.92 0.00 0.00 -0.47 0.00 0.00 61.79 60.13 2di9 h SER 130 Cb 1.12 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 63.03 2di9 h SER 130 CO 0.74 1.55 0.00 0.61 -0.87 0.00 0.00 176.83 178.86