#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 -0.50 -0.29 1.61 0.01 -1.26 -5.17 113.70 108.10 2di9 s SER 2 Ca 0.00 -0.02 -0.14 0.00 1.31 0.00 0.00 55.95 57.10 2di9 s SER 2 Cb 0.00 0.54 0.12 0.00 0.21 0.00 0.00 66.02 66.89 2di9 s SER 2 CO 0.00 -0.87 0.79 -0.55 0.41 0.00 0.00 173.24 173.02 2di9 s SER 3 N -2.67 -0.84 -0.21 2.44 0.15 -1.26 -5.17 113.70 106.14 2di9 s SER 3 Ca 0.02 1.26 -0.27 0.00 0.70 0.00 0.00 55.95 57.66 2di9 s SER 3 Cb -0.01 1.60 0.11 0.00 -1.71 0.00 0.00 66.02 66.01 2di9 s SER 3 CO -0.11 -0.19 0.92 -0.83 1.20 0.00 0.00 173.24 174.23 2di9 s GLY 4 N 1.98 -0.30 -0.00 9.45 0.00 -1.26 -5.18 107.32 112.01 2di9 s GLY 4 Ca -0.08 2.20 -0.29 0.00 0.00 0.00 0.00 44.72 46.55 2di9 s GLY 4 CO -0.18 1.47 1.04 -0.45 0.00 0.00 0.00 173.10 174.98 2di9 s SER 5 N -0.32 -0.22 0.34 1.64 0.15 -1.26 -5.19 113.70 108.84 2di9 s SER 5 Ca -0.01 -0.13 -0.08 0.00 0.70 0.00 0.00 55.95 56.43 2di9 s SER 5 Cb -0.03 0.33 0.02 0.00 -1.71 0.00 0.00 66.02 64.63 2di9 s SER 5 CO -0.01 -0.57 0.57 -0.94 1.20 0.00 0.00 173.24 173.49 2di9 s SER 6 N -2.63 0.51 -0.09 5.45 1.04 -1.26 -5.19 113.70 111.53 2di9 s SER 6 Ca 0.09 -1.30 -0.32 0.00 0.48 0.00 0.00 55.95 54.90 2di9 s SER 6 Cb -0.00 0.71 0.13 0.00 0.10 0.00 0.00 66.02 66.96 2di9 s SER 6 CO -0.04 -1.39 1.41 -0.83 0.98 0.00 0.00 173.24 173.37 2di9 s GLY 7 N -3.16 -0.42 -0.15 7.32 0.00 -1.26 -5.19 107.32 104.48 2di9 s GLY 7 Ca 0.25 0.72 -0.30 0.00 0.00 0.00 0.00 44.72 45.38 2di9 s GLY 7 CO 0.16 2.12 1.03 -0.35 0.00 0.00 0.00 173.10 176.06 2di9 s ASP 8 N -3.28 -0.32 -0.02 1.64 2.15 -1.26 -5.17 116.67 110.42 2di9 s ASP 8 Ca 0.20 0.26 0.02 0.00 0.43 0.00 0.00 52.55 53.46 2di9 s ASP 8 Cb 0.05 0.28 0.00 0.00 -0.30 0.00 0.00 42.92 42.95 2di9 s ASP 8 CO -0.06 -0.35 -0.07 -0.69 -0.17 0.00 0.00 175.17 173.83 2di9 s VAL 9 N -1.57 0.62 0.25 1.11 1.01 -1.26 -5.16 120.40 115.41 2di9 s VAL 9 Ca 0.01 -0.29 0.08 0.00 0.00 0.00 0.00 61.98 61.78 2di9 s VAL 9 Cb -0.01 -0.55 -0.05 0.00 0.00 0.00 0.00 36.38 35.77 2di9 s VAL 9 CO -0.02 0.19 -0.11 0.28 0.00 0.00 0.00 175.10 175.45 2di9 s THR 10 N 0.10 1.79 -0.14 3.92 -1.32 -1.26 -5.14 115.64 113.59 2di9 s THR 10 Ca -0.01 -2.20 0.00 0.00 -1.21 0.00 0.00 61.69 58.28 2di9 s THR 10 Cb -0.06 -2.26 0.02 0.00 -1.51 0.00 0.00 72.50 68.69 2di9 s THR 10 CO -0.00 -0.44 -0.13 -0.47 -2.21 0.00 0.00 174.62 171.38 2di9 s TYR 11 N -2.93 1.99 -0.29 9.09 5.04 -1.26 -5.10 117.35 123.88 2di9 s TYR 11 Ca 0.27 -1.08 -0.01 0.00 -2.44 0.00 0.00 57.07 53.80 2di9 s TYR 11 Cb 0.01 -1.50 0.05 0.00 0.35 0.00 0.00 41.96 40.87 2di9 s TYR 11 CO 0.10 -0.62 -0.03 -0.51 -1.34 0.00 0.00 175.55 173.15 2di9 s ASP 12 N 1.51 4.75 -0.30 4.32 1.01 -1.26 -4.97 116.67 121.74 2di9 s ASP 12 Ca 0.04 -1.24 0.18 0.00 0.71 0.00 0.00 52.55 52.25 2di9 s ASP 12 Cb -0.13 -1.68 0.48 0.00 1.01 0.00 0.00 42.92 42.60 2di9 s ASP 12 CO -0.10 -0.23 1.04 0.61 0.21 0.00 0.00 175.17 176.70 2di9 n GLY 13 N 4.60 2.21 3.84 0.21 0.00 -1.26 -5.09 105.19 109.69 2di9 n GLY 13 Ca -0.14 -1.38 -0.38 0.00 0.00 0.00 0.00 46.02 44.12 2di9 n GLY 13 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2di9 s HIS 14 N -3.45 3.70 -0.39 1.61 5.04 -1.26 -5.03 115.29 115.51 2di9 s HIS 14 Ca 0.30 0.93 -0.28 0.00 -1.54 0.00 0.00 55.06 54.47 2di9 s HIS 14 Cb 0.40 -2.26 -0.01 0.00 0.04 0.00 0.00 32.58 30.75 2di9 s HIS 14 CO -0.01 0.63 1.73 -1.25 -2.34 0.00 0.00 174.74 173.50 2di9 s PRO 15 N -0.99 3.27 0.47 2.88 0.04 -1.26 -4.98 135.00 134.44 2di9 s PRO 15 Ca 0.23 1.19 -0.22 0.00 0.04 0.00 0.00 61.00 62.24 2di9 s PRO 15 Cb -0.16 -4.19 -0.07 0.00 0.04 0.00 0.00 34.50 30.11 2di9 s PRO 15 CO 0.12 -1.93 1.12 0.14 0.04 0.00 0.00 177.00 176.49 2di9 s VAL 16 N 6.92 3.29 0.00 -0.36 -7.23 -1.26 -5.05 120.40 116.72 2di9 s VAL 16 Ca 0.74 0.91 0.00 0.00 -1.81 0.00 0.00 61.98 61.82 2di9 s VAL 16 Cb -0.19 -3.43 0.00 0.00 0.56 0.00 0.00 36.38 33.32 2di9 s VAL 16 CO 0.31 -0.07 0.00 -0.81 -0.31 0.00 0.00 175.10 174.22 2di9 n PRO 17 N -0.68 -0.90 0.00 4.82 -0.04 -1.26 -5.01 135.00 131.93 2di9 n PRO 17 Ca 0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 2di9 n PRO 17 Cb 0.49 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.95 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 2.45 -2.92 2.46 0.55 0.00 -1.26 -4.62 105.19 101.84 2di9 n GLY 18 Ca 0.00 0.07 -0.27 0.00 0.00 0.00 0.00 46.02 45.82 2di9 n GLY 18 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2di9 n SER 19 N -0.47 0.94 0.02 1.61 7.64 -1.26 -4.97 113.62 117.13 2di9 n SER 19 Ca 0.00 -2.76 -0.13 0.00 1.01 0.00 0.00 58.87 57.00 2di9 n SER 19 Cb 0.00 -0.63 -0.09 0.00 -1.01 0.00 0.00 64.21 62.48 2di9 n SER 19 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2di9 h PRO 20 N 5.02 -0.08 -5.59 1.43 0.13 -1.99 -3.46 132.00 127.47 2di9 h PRO 20 Ca 0.19 0.01 -0.38 0.00 -0.87 0.00 0.00 66.00 64.95 2di9 h PRO 20 Cb 0.84 0.02 -0.22 0.00 0.13 0.00 0.00 31.00 31.76 2di9 h PRO 20 CO 0.52 0.38 -0.55 0.66 -0.23 0.00 0.00 178.00 178.79 2di9 n TYR 21 N -4.90 -0.70 -3.81 1.56 4.01 -1.26 -4.84 117.16 107.22 2di9 n TYR 21 Ca -0.08 0.41 -0.14 0.00 -0.16 0.00 0.00 57.90 57.93 2di9 n TYR 21 Cb 0.25 -1.17 -0.15 0.00 -0.31 0.00 0.00 39.34 37.96 2di9 n TYR 21 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 2di9 s THR 22 N -2.49 -0.04 -0.09 -0.72 -4.23 -1.26 -5.15 115.64 101.67 2di9 s THR 22 Ca 0.45 0.14 0.04 0.00 -1.18 0.00 0.00 61.69 61.14 2di9 s THR 22 Cb -0.27 -0.06 -0.01 0.00 1.34 0.00 0.00 72.50 73.50 2di9 s THR 22 CO 0.61 0.06 -0.21 -0.69 -0.54 0.00 0.00 174.62 173.85 2di9 s VAL 23 N 0.68 2.34 -0.24 2.29 1.01 -1.26 -5.01 120.40 120.21 2di9 s VAL 23 Ca -0.06 -0.94 0.11 0.00 0.00 0.00 0.00 61.98 61.09 2di9 s VAL 23 Cb -0.08 -1.90 0.44 0.00 0.00 0.00 0.00 36.38 34.84 2di9 s VAL 23 CO -0.02 0.56 1.20 -0.62 0.00 0.00 0.00 175.10 176.22 2di9 n GLU 24 N 3.20 2.39 -1.27 2.72 -0.58 -1.26 -4.76 120.64 121.08 2di9 n GLU 24 Ca -0.18 -3.62 -0.25 0.00 -0.42 0.00 0.00 57.16 52.69 2di9 n GLU 24 Cb 0.52 -1.81 0.13 0.00 -0.57 0.00 0.00 31.44 29.71 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 -0.81 5.64 -2.60 0.62 0.00 -1.26 -4.53 120.51 117.56 2di9 n ALA 25 Ca 0.28 -3.24 -0.15 0.00 0.00 0.00 0.00 53.44 50.33 2di9 n ALA 25 Cb 0.85 -1.36 0.02 0.00 0.00 0.00 0.00 19.45 18.95 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 -1.02 2.61 -4.55 0.00 2.88 -1.26 -4.97 113.62 107.30 2di9 n SER 26 Ca 0.56 -3.07 -0.27 0.00 -1.33 0.00 0.00 58.87 54.75 2di9 n SER 26 Cb 1.14 -0.51 -0.10 0.00 -0.75 0.00 0.00 64.21 63.99 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 -3.27 2.91 0.47 2.46 1.43 -1.26 -5.08 118.68 116.33 2di9 s LEU 27 Ca 0.35 -0.60 -0.23 0.00 -1.03 0.00 0.00 54.13 52.62 2di9 s LEU 27 Cb 0.44 -1.61 -0.07 0.00 0.03 0.00 0.00 46.19 44.98 2di9 s LEU 27 CO -0.04 0.11 1.16 -2.16 0.23 0.00 0.00 176.35 175.65 2di9 s PRO 28 N -2.76 3.72 -0.22 1.29 0.04 -1.26 -3.15 135.00 132.65 2di9 s PRO 28 Ca 0.24 1.76 -0.29 0.00 0.04 0.00 0.00 61.00 62.75 2di9 s PRO 28 Cb -0.09 -2.37 -0.03 0.00 0.04 0.00 0.00 34.50 32.06 2di9 s PRO 28 CO 0.14 -0.58 1.61 -1.25 0.04 0.00 0.00 177.00 176.96 2di9 s PRO 29 N -2.76 3.79 -0.43 0.56 0.04 -1.25 -3.89 135.00 131.06 2di9 s PRO 29 Ca 0.64 1.65 0.03 0.00 0.04 0.00 0.00 61.00 63.37 2di9 s PRO 29 Cb -0.28 -4.04 0.12 0.00 0.04 0.00 0.00 34.50 30.34 2di9 s PRO 29 CO 0.34 -1.30 0.18 -0.51 0.04 0.00 0.00 177.00 175.74 2di9 s ASP 30 N 4.24 4.34 0.30 6.66 1.01 0.35 -4.95 116.67 128.62 2di9 s ASP 30 Ca 0.71 -2.58 0.09 0.00 0.71 0.00 0.00 52.55 51.49 2di9 s ASP 30 Cb -0.25 -1.48 0.48 0.00 1.01 0.00 0.00 42.92 42.68 2di9 s ASP 30 CO 0.29 -0.30 1.70 1.55 0.21 0.00 0.00 175.17 178.62 2di9 h PRO 31 N 7.01 0.10 -0.12 8.23 0.13 -1.87 -2.90 132.00 142.58 2di9 h PRO 31 Ca -0.06 -0.06 0.03 0.00 -0.87 0.00 0.00 66.00 65.05 2di9 h PRO 31 Cb 0.95 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.07 2di9 h PRO 31 CO 0.59 0.56 0.18 0.66 -0.23 0.00 0.00 178.00 179.76 2di9 h SER 32 N 0.09 0.00 0.23 1.44 4.64 -1.92 -1.29 113.55 116.73 2di9 h SER 32 Ca 0.00 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.98 2di9 h SER 32 Cb 0.88 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.94 2di9 h SER 32 CO 0.07 0.00 -1.92 0.29 -0.87 0.00 0.00 176.83 174.39 2di9 n LYS 33 N -3.57 0.72 -1.51 4.77 4.76 -1.10 -4.83 118.16 117.40 2di9 n LYS 33 Ca 0.00 0.27 -0.50 0.00 -2.87 0.00 0.00 58.31 55.21 2di9 n LYS 33 Cb 0.28 -1.73 -0.06 0.00 -1.84 0.00 0.00 35.03 31.68 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 -3.35 0.26 -5.15 -0.18 0.31 -0.49 -4.91 118.33 104.82 2di9 n VAL 34 Ca -0.28 -0.26 -0.32 0.00 -0.01 0.00 0.00 64.34 63.48 2di9 n VAL 34 Cb 1.05 -1.77 -0.15 0.00 -0.91 0.00 0.00 33.84 32.05 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 5.82 2.51 -0.20 5.55 1.02 -1.13 -4.64 119.74 128.66 2di9 s LYS 35 Ca 1.06 -0.85 0.00 0.00 0.02 0.00 0.00 55.97 56.21 2di9 s LYS 35 Cb -0.78 -2.22 0.02 0.00 -0.52 0.00 0.00 37.83 34.33 2di9 s LYS 35 CO 0.49 0.46 -0.16 0.00 -0.92 0.00 0.00 175.35 175.22 2di9 s ALA 36 N -0.35 2.43 -0.04 5.17 0.00 -1.26 -0.35 121.76 127.36 2di9 s ALA 36 Ca 0.02 -1.28 0.01 0.00 0.00 0.00 0.00 51.96 50.72 2di9 s ALA 36 Cb -0.12 -1.31 0.02 0.00 0.00 0.00 0.00 23.12 21.70 2di9 s ALA 36 CO 0.02 -0.47 -0.05 -3.38 0.00 0.00 0.00 175.76 171.88 2di9 s HIS 37 N 1.30 0.77 0.00 0.00 -3.43 0.41 -4.97 115.29 109.37 2di9 s HIS 37 Ca 0.03 -0.21 0.00 0.00 -0.80 0.00 0.00 55.06 54.08 2di9 s HIS 37 Cb -0.14 -0.65 0.00 0.00 -1.43 0.00 0.00 32.58 30.36 2di9 s HIS 37 CO -0.11 -0.17 0.00 0.41 -2.00 0.00 0.00 174.74 172.88 2di9 n GLY 38 N 3.87 0.14 0.24 -1.38 0.00 -1.26 -0.48 105.19 106.32 2di9 n GLY 38 Ca -0.24 -1.13 -0.13 0.00 0.00 0.00 0.00 46.02 44.52 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 0.83 -0.78 1.61 0.13 -1.90 -3.09 132.00 128.80 2di9 h PRO 39 Ca 0.00 -0.43 0.23 0.00 -0.87 0.00 0.00 66.00 64.93 2di9 h PRO 39 Cb 0.00 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 31.11 2di9 h PRO 39 CO 0.00 1.07 0.62 0.78 -0.23 0.00 0.00 178.00 180.24 2di9 h GLY 40 N 0.61 0.00 0.24 1.56 0.00 -0.11 0.93 103.07 106.30 2di9 h GLY 40 Ca 0.06 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.38 2di9 h GLY 40 CO 0.08 0.00 -0.02 1.41 0.00 0.00 0.00 176.54 178.02 2di9 h LEU 41 N 0.00 -0.04 -1.38 3.11 3.38 -1.75 -3.29 115.31 115.34 2di9 h LEU 41 Ca 0.37 -0.66 -0.02 0.00 0.09 0.00 0.00 57.88 57.66 2di9 h LEU 41 Cb 1.62 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 42.35 2di9 h LEU 41 CO -0.00 0.68 0.16 -0.33 0.09 0.00 0.00 178.44 179.04 2di9 h GLU 42 N -0.81 0.58 0.00 1.13 5.08 -1.27 -3.06 114.58 116.23 2di9 h GLU 42 Ca -0.00 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 2di9 h GLU 42 Cb 0.69 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.83 2di9 h GLU 42 CO 0.01 0.48 0.00 0.41 -1.00 0.00 0.00 179.01 178.91 2di9 n GLY 43 N -1.17 0.78 0.00 -3.84 0.00 0.20 -0.60 105.19 100.56 2di9 n GLY 43 Ca 0.03 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.22 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 1.60 3.21 -0.02 0.00 -1.16 -4.14 105.19 104.69 2di9 n GLY 44 Ca 0.00 0.16 -0.14 0.00 0.00 0.00 0.00 46.02 46.04 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 2.48 0.52 0.99 1.43 -1.26 -0.87 118.68 121.96 2di9 s LEU 45 Ca 0.00 -0.93 -0.22 0.00 -1.03 0.00 0.00 54.13 51.95 2di9 s LEU 45 Cb 0.00 -0.30 -0.06 0.00 0.03 0.00 0.00 46.19 45.87 2di9 s LEU 45 CO 0.00 -0.32 1.23 -0.69 0.23 0.00 0.00 176.35 176.80 2di9 s VAL 46 N -3.00 2.71 -1.10 -1.59 1.01 -1.05 -2.68 120.40 114.69 2di9 s VAL 46 Ca 0.11 0.51 0.00 0.00 0.00 0.00 0.00 61.98 62.60 2di9 s VAL 46 Cb 0.01 -3.24 0.00 0.00 0.00 0.00 0.00 36.38 33.14 2di9 s VAL 46 CO -0.00 -0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.68 2di9 n GLY 47 N 0.53 -0.08 3.18 4.51 0.00 -0.88 -4.85 105.19 107.60 2di9 n GLY 47 Ca 0.10 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.89 2di9 n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2di9 s LYS 48 N -4.52 1.14 0.20 1.61 1.02 -1.09 -5.00 119.74 113.09 2di9 s LYS 48 Ca 0.00 -0.80 -0.30 0.00 0.02 0.00 0.00 55.97 54.89 2di9 s LYS 48 Cb 0.00 -1.18 -0.09 0.00 -0.52 0.00 0.00 37.83 36.04 2di9 s LYS 48 CO 0.00 0.30 1.30 -1.25 -0.92 0.00 0.00 175.35 174.78 2di9 s PRO 49 N -1.06 4.39 -0.05 -1.68 0.04 -1.26 -4.27 135.00 131.12 2di9 s PRO 49 Ca 0.04 2.05 -0.02 0.00 0.04 0.00 0.00 61.00 63.11 2di9 s PRO 49 Cb -0.08 -3.20 0.03 0.00 0.04 0.00 0.00 34.50 31.30 2di9 s PRO 49 CO 0.01 -0.25 0.08 0.00 0.04 0.00 0.00 177.00 176.89 2di9 s ALA 50 N 0.10 0.06 0.38 8.56 0.00 -0.48 -4.92 121.76 125.45 2di9 s ALA 50 Ca 0.56 0.35 0.05 0.00 0.00 0.00 0.00 51.96 52.92 2di9 s ALA 50 Cb -0.36 -0.55 -0.03 0.00 0.00 0.00 0.00 23.12 22.18 2di9 s ALA 50 CO 0.38 -0.38 0.18 -1.83 0.00 0.00 0.00 175.76 174.12 2di9 s GLU 51 N 1.82 1.86 0.34 0.00 -1.05 -1.26 -0.79 118.70 119.63 2di9 s GLU 51 Ca -0.00 -2.12 -0.03 0.00 -0.15 0.00 0.00 54.97 52.67 2di9 s GLU 51 Cb -0.12 -0.25 0.00 0.00 -0.44 0.00 0.00 34.13 33.32 2di9 s GLU 51 CO -0.04 -0.55 0.48 -0.59 0.95 0.00 0.00 175.26 175.51 2di9 s PHE 52 N -3.31 1.05 -0.22 4.83 -0.71 -1.23 0.49 117.98 118.88 2di9 s PHE 52 Ca 0.30 -1.28 -0.05 0.00 -1.04 0.00 0.00 56.93 54.85 2di9 s PHE 52 Cb 0.02 -0.07 -0.02 0.00 -1.21 0.00 0.00 43.02 41.74 2di9 s PHE 52 CO 0.19 -1.14 0.01 0.99 -1.34 0.00 0.00 175.22 173.93 2di9 s THR 53 N -3.05 3.93 -0.09 -4.49 2.01 0.37 -4.22 115.64 110.10 2di9 s THR 53 Ca 0.30 -0.31 -0.02 0.00 0.31 0.00 0.00 61.69 61.97 2di9 s THR 53 Cb -0.00 -2.80 -0.03 0.00 0.01 0.00 0.00 72.50 69.67 2di9 s THR 53 CO 0.20 0.40 0.01 -0.63 -0.69 0.00 0.00 174.62 173.91 2di9 s ILE 54 N 1.30 4.37 -0.46 1.82 1.01 -1.20 -0.44 121.20 127.60 2di9 s ILE 54 Ca 0.04 -0.22 -0.01 0.00 0.00 0.00 0.00 60.65 60.45 2di9 s ILE 54 Cb -0.15 -2.84 0.12 0.00 0.01 0.00 0.00 42.46 39.61 2di9 s ILE 54 CO 0.01 0.61 0.25 -0.62 0.00 0.00 0.00 174.94 175.18 2di9 s ASP 55 N -0.88 5.09 -0.22 3.58 -1.08 0.53 -3.72 116.67 119.97 2di9 s ASP 55 Ca 0.13 -2.35 0.13 0.00 -0.52 0.00 0.00 52.55 49.94 2di9 s ASP 55 Cb -0.11 -1.79 0.46 0.00 -1.46 0.00 0.00 42.92 40.02 2di9 s ASP 55 CO 0.02 -0.45 1.36 0.35 0.52 0.00 0.00 175.17 176.98 2di9 n THR 56 N 4.12 2.31 0.01 1.71 -2.24 -1.26 -2.84 114.28 116.11 2di9 n THR 56 Ca 0.02 -2.47 -0.12 0.00 -2.27 0.00 0.00 64.05 59.21 2di9 n THR 56 Cb 0.40 -0.28 -0.09 0.00 -2.10 0.00 0.00 70.33 68.26 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 1.05 -0.10 -1.10 -0.78 1.57 -1.91 -3.29 116.57 112.01 2di9 h LYS 57 Ca 0.09 0.01 -0.51 0.00 -1.87 0.00 0.00 60.65 58.37 2di9 h LYS 57 Cb 1.39 0.02 -0.25 0.00 0.08 0.00 0.00 32.23 33.48 2di9 h LYS 57 CO 0.22 0.43 0.65 0.41 -0.57 0.00 0.00 179.45 180.59 2di9 n GLY 58 N 0.58 4.76 0.38 3.86 0.00 -1.26 -4.25 105.19 109.26 2di9 n GLY 58 Ca -0.08 -1.47 -0.07 0.00 0.00 0.00 0.00 46.02 44.39 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 -0.66 2.12 0.00 4.61 0.00 -1.24 -4.74 120.51 120.60 2di9 n ALA 59 Ca 0.51 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.60 2di9 n ALA 59 Cb 1.00 0.35 0.00 0.00 0.00 0.00 0.00 19.45 20.80 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 2.79 0.19 3.25 0.00 0.00 -1.25 0.13 105.19 110.31 2di9 n GLY 60 Ca -0.16 -1.64 -0.09 0.00 0.00 0.00 0.00 46.02 44.14 2di9 n GLY 60 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2di9 s THR 61 N -1.55 0.10 0.00 2.61 -1.32 -1.19 -4.92 115.64 109.37 2di9 s THR 61 Ca 0.00 -1.46 0.00 0.00 -1.21 0.00 0.00 61.69 59.02 2di9 s THR 61 Cb 0.00 -1.72 0.00 0.00 -1.51 0.00 0.00 72.50 69.27 2di9 s THR 61 CO 0.00 -0.47 0.00 0.61 -2.21 0.00 0.00 174.62 172.55 2di9 n GLY 62 N -0.13 -0.48 3.01 6.08 0.00 -1.26 -3.85 105.19 108.56 2di9 n GLY 62 Ca -0.10 0.10 -0.04 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.62 -0.08 -0.02 0.00 -1.26 -5.02 107.32 100.32 2di9 s GLY 63 Ca 0.00 1.28 -0.19 0.00 0.00 0.00 0.00 44.72 45.80 2di9 s GLY 63 CO 0.00 2.92 0.52 -2.27 0.00 0.00 0.00 173.10 174.27 2di9 s LEU 64 N 2.66 4.32 -0.30 0.66 2.96 -1.26 -1.34 118.68 126.38 2di9 s LEU 64 Ca 0.15 0.94 -0.08 0.00 -0.22 0.00 0.00 54.13 54.93 2di9 s LEU 64 Cb -0.15 -2.78 0.01 0.00 0.50 0.00 0.00 46.19 43.76 2di9 s LEU 64 CO -0.18 0.03 0.10 -0.83 -1.32 0.00 0.00 176.35 174.15 2di9 s GLY 65 N 0.37 1.81 -0.25 7.98 0.00 0.18 -4.97 107.32 112.46 2di9 s GLY 65 Ca 0.28 -1.47 -0.05 0.00 0.00 0.00 0.00 44.72 43.49 2di9 s GLY 65 CO 0.13 0.67 0.01 -2.27 0.00 0.00 0.00 173.10 171.64 2di9 s LEU 66 N 1.52 3.25 -0.04 0.66 2.96 -1.25 -2.82 118.68 122.96 2di9 s LEU 66 Ca 0.03 -0.45 -0.00 0.00 -0.22 0.00 0.00 54.13 53.49 2di9 s LEU 66 Cb -0.17 -1.81 0.03 0.00 0.50 0.00 0.00 46.19 44.74 2di9 s LEU 66 CO 0.03 -0.07 0.00 0.42 -1.32 0.00 0.00 176.35 175.42 2di9 s THR 67 N 1.51 0.23 -0.36 3.68 -4.23 -1.08 -4.96 115.64 110.42 2di9 s THR 67 Ca 0.05 0.10 -0.23 0.00 -1.18 0.00 0.00 61.69 60.43 2di9 s THR 67 Cb -0.15 -0.34 0.01 0.00 1.34 0.00 0.00 72.50 73.36 2di9 s THR 67 CO -0.01 0.18 0.79 -0.69 -0.54 0.00 0.00 174.62 174.36 2di9 s VAL 68 N 1.30 4.73 -0.30 2.29 1.01 -1.26 -1.11 120.40 127.05 2di9 s VAL 68 Ca -0.06 0.92 0.02 0.00 0.00 0.00 0.00 61.98 62.86 2di9 s VAL 68 Cb -0.13 -4.22 0.42 0.00 0.00 0.00 0.00 36.38 32.45 2di9 s VAL 68 CO -0.02 -0.43 1.62 -0.62 0.00 0.00 0.00 175.10 175.64 2di9 n GLU 69 N 6.43 1.82 -0.66 2.72 1.02 -0.48 -4.89 120.64 126.61 2di9 n GLU 69 Ca 0.03 -1.93 -0.30 0.00 -0.02 0.00 0.00 57.16 54.94 2di9 n GLU 69 Cb 0.48 -1.76 0.26 0.00 -0.02 0.00 0.00 31.44 30.41 2di9 n GLU 69 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2di9 s GLY 70 N -0.47 1.49 0.31 0.62 0.00 -1.26 -4.51 107.32 103.51 2di9 s GLY 70 Ca 0.37 -0.70 0.25 0.00 0.00 0.00 0.00 44.72 44.64 2di9 s GLY 70 CO 0.06 0.20 1.76 -0.56 0.00 0.00 0.00 173.10 174.57 2di9 h PRO 71 N -2.94 0.00 -4.76 2.90 0.13 -1.94 -3.45 132.00 121.93 2di9 h PRO 71 Ca -0.48 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.28 2di9 h PRO 71 Cb 1.33 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.32 2di9 h PRO 71 CO 0.36 0.00 -0.55 0.00 -0.23 0.00 0.00 178.00 177.58 2di9 s GLU 73 N -3.79 3.55 -0.08 0.00 2.12 -1.26 -4.96 118.70 114.28 2di9 s GLU 73 Ca 0.40 0.21 0.00 0.00 0.36 0.00 0.00 54.97 55.94 2di9 s GLU 73 Cb 0.05 -3.94 -0.03 0.00 0.26 0.00 0.00 34.13 30.47 2di9 s GLU 73 CO 0.20 -1.29 -0.07 0.00 -0.54 0.00 0.00 175.26 173.56 2di9 s ALA 74 N 3.96 2.97 0.66 6.30 0.00 -1.26 -4.80 121.76 129.58 2di9 s ALA 74 Ca 0.39 -0.88 -0.15 0.00 0.00 0.00 0.00 51.96 51.31 2di9 s ALA 74 Cb -0.10 -1.26 0.00 0.00 0.00 0.00 0.00 23.12 21.77 2di9 s ALA 74 CO 0.27 0.53 1.12 0.21 0.00 0.00 0.00 175.76 177.89 2di9 s LYS 75 N -0.65 2.75 -0.17 0.00 2.20 -1.24 -4.88 119.74 117.74 2di9 s LYS 75 Ca 0.10 1.45 -0.04 0.00 -0.36 0.00 0.00 55.97 57.12 2di9 s LYS 75 Cb -0.11 -1.94 0.06 0.00 -1.51 0.00 0.00 37.83 34.32 2di9 s LYS 75 CO 0.02 -1.30 0.06 0.42 -0.36 0.00 0.00 175.35 174.18 2di9 s ILE 76 N -2.27 0.21 -0.50 5.43 1.01 -1.26 -2.85 121.20 120.97 2di9 s ILE 76 Ca 0.68 -0.30 -0.14 0.00 0.00 0.00 0.00 60.65 60.90 2di9 s ILE 76 Cb -0.22 -0.76 0.11 0.00 0.01 0.00 0.00 42.46 41.61 2di9 s ILE 76 CO 0.41 -0.20 0.42 -1.61 0.00 0.00 0.00 174.94 173.96 2di9 s GLU 77 N 2.01 2.83 -0.24 2.79 2.02 0.88 -4.97 118.70 124.01 2di9 s GLU 77 Ca 0.01 -1.63 -0.15 0.00 0.02 0.00 0.00 54.97 53.21 2di9 s GLU 77 Cb -0.16 -4.13 -0.04 0.00 0.10 0.00 0.00 34.13 29.90 2di9 s GLU 77 CO -0.08 -1.21 0.39 0.00 0.02 0.00 0.00 175.26 174.38 2di9 s SER 79 N 1.38 0.85 0.41 0.00 0.15 -1.14 -5.00 113.70 110.35 2di9 s SER 79 Ca 0.17 -0.06 -0.12 0.00 0.70 0.00 0.00 55.95 56.63 2di9 s SER 79 Cb -0.15 -0.33 -0.07 0.00 -1.71 0.00 0.00 66.02 63.75 2di9 s SER 79 CO 0.09 -0.11 0.80 1.51 1.20 0.00 0.00 173.24 176.73 2di9 s ASP 80 N 1.22 6.58 -0.14 5.45 -4.77 -1.26 -0.80 116.67 122.95 2di9 s ASP 80 Ca -0.07 1.23 -0.12 0.00 -3.30 0.00 0.00 52.55 50.30 2di9 s ASP 80 Cb -0.13 -2.36 -0.25 0.00 -1.09 0.00 0.00 42.92 39.09 2di9 s ASP 80 CO -0.02 -0.40 0.36 0.78 0.70 0.00 0.00 175.17 176.59 2di9 h ASN 81 N 1.37 0.31 0.00 2.11 2.35 -1.78 -3.47 115.58 116.47 2di9 h ASN 81 Ca -0.47 -0.82 0.00 0.00 -0.55 0.00 0.00 56.30 54.45 2di9 h ASN 81 Cb 1.18 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 39.45 2di9 h ASN 81 CO 0.64 1.74 0.00 0.61 -1.65 0.00 0.00 177.43 178.76 2di9 n GLY 82 N 1.81 2.58 0.10 2.83 0.00 -1.26 -4.91 105.19 106.34 2di9 n GLY 82 Ca -0.31 0.00 0.10 0.00 0.00 0.00 0.00 46.02 45.81 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 0.75 0.00 1.61 8.00 -1.26 -4.92 116.55 120.73 2di9 n ASP 83 Ca 0.00 0.29 0.00 0.00 0.71 0.00 0.00 54.79 55.79 2di9 n ASP 83 Cb 0.00 0.60 0.00 0.00 -0.02 0.00 0.00 41.12 41.70 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 1.22 0.61 3.16 0.44 0.00 -1.26 -5.07 105.19 104.28 2di9 n GLY 84 Ca -0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 2di9 n GLY 84 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2di9 s THR 85 N -0.61 0.09 -0.04 2.61 -4.23 -1.26 -4.04 115.64 108.16 2di9 s THR 85 Ca 0.00 -1.93 0.01 0.00 -1.18 0.00 0.00 61.69 58.59 2di9 s THR 85 Cb 0.00 -2.13 0.02 0.00 1.34 0.00 0.00 72.50 71.74 2di9 s THR 85 CO 0.00 -0.38 -0.03 0.00 -0.54 0.00 0.00 174.62 173.67 2di9 s SER 87 N 0.97 5.21 -0.25 0.00 0.01 0.02 -3.21 113.70 116.45 2di9 s SER 87 Ca -0.10 -2.60 -0.16 0.00 1.31 0.00 0.00 55.95 54.40 2di9 s SER 87 Cb -0.14 -1.84 -0.04 0.00 0.21 0.00 0.00 66.02 64.21 2di9 s SER 87 CO -0.00 -0.42 0.40 -0.69 0.41 0.00 0.00 173.24 172.93 2di9 s VAL 88 N 0.31 5.17 -0.13 3.43 1.01 -1.26 -2.88 120.40 126.05 2di9 s VAL 88 Ca 0.14 0.65 -0.00 0.00 0.00 0.00 0.00 61.98 62.77 2di9 s VAL 88 Cb -0.21 -3.72 -0.01 0.00 0.00 0.00 0.00 36.38 32.43 2di9 s VAL 88 CO -0.04 0.18 -0.13 -0.94 0.00 0.00 0.00 175.10 174.17 2di9 s SER 89 N 1.44 4.00 0.38 3.32 1.04 0.17 -3.47 113.70 120.58 2di9 s SER 89 Ca 0.17 -0.34 0.08 0.00 0.48 0.00 0.00 55.95 56.34 2di9 s SER 89 Cb -0.15 -1.61 -0.07 0.00 0.10 0.00 0.00 66.02 64.28 2di9 s SER 89 CO 0.09 0.16 -0.03 -0.72 0.98 0.00 0.00 173.24 173.71 2di9 s TYR 90 N 0.41 2.47 -0.23 5.02 -0.85 0.03 -0.08 117.35 124.12 2di9 s TYR 90 Ca -0.10 -0.58 -0.03 0.00 -0.52 0.00 0.00 57.07 55.84 2di9 s TYR 90 Cb -0.16 -1.59 0.08 0.00 0.38 0.00 0.00 41.96 40.67 2di9 s TYR 90 CO 0.05 0.51 0.08 -0.51 -1.52 0.00 0.00 175.55 174.16 2di9 s LEU 91 N -3.67 1.03 0.67 -3.49 1.43 -1.13 -1.39 118.68 112.13 2di9 s LEU 91 Ca 0.34 -1.04 -0.15 0.00 -1.03 0.00 0.00 54.13 52.25 2di9 s LEU 91 Cb 0.06 -0.51 0.00 0.00 0.03 0.00 0.00 46.19 45.78 2di9 s LEU 91 CO 0.18 -0.37 1.11 -2.16 0.23 0.00 0.00 176.35 175.34 2di9 s PRO 92 N 1.94 2.77 -0.26 1.29 0.04 -1.26 -3.72 135.00 135.79 2di9 s PRO 92 Ca 0.04 1.37 -0.06 0.00 0.04 0.00 0.00 61.00 62.40 2di9 s PRO 92 Cb -0.17 -1.95 -0.15 0.00 0.04 0.00 0.00 34.50 32.28 2di9 s PRO 92 CO -0.19 -1.27 -0.26 0.25 0.04 0.00 0.00 177.00 175.57 2di9 n THR 93 N -2.49 1.52 -4.42 1.26 -2.24 -1.26 -2.08 114.28 104.57 2di9 n THR 93 Ca 0.10 -0.48 -0.25 0.00 -2.27 0.00 0.00 64.05 61.16 2di9 n THR 93 Cb 0.52 -1.65 -0.13 0.00 -2.10 0.00 0.00 70.33 66.97 2di9 n THR 93 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 2di9 s LYS 94 N -2.51 1.22 -0.53 -0.78 -2.85 -1.26 -4.57 119.74 108.45 2di9 s LYS 94 Ca -0.36 -1.08 -0.27 0.00 -1.00 0.00 0.00 55.97 53.26 2di9 s LYS 94 Cb 0.12 -1.43 -0.02 0.00 -2.06 0.00 0.00 37.83 34.44 2di9 s LYS 94 CO 0.56 0.35 1.82 -1.25 0.10 0.00 0.00 175.35 176.92 2di9 s PRO 95 N -1.63 2.85 0.00 1.78 0.04 -1.26 -4.71 135.00 132.07 2di9 s PRO 95 Ca 0.07 0.82 0.00 0.00 0.04 0.00 0.00 61.00 61.93 2di9 s PRO 95 Cb -0.10 -4.32 0.00 0.00 0.04 0.00 0.00 34.50 30.13 2di9 s PRO 95 CO 0.03 -2.45 0.00 0.41 0.04 0.00 0.00 177.00 175.03 2di9 n GLY 96 N 5.59 1.50 3.30 0.56 0.00 -1.23 -4.95 105.19 109.97 2di9 n GLY 96 Ca 0.21 0.23 -0.11 0.00 0.00 0.00 0.00 46.02 46.35 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 2.13 0.43 -0.19 1.61 1.03 -1.26 -1.25 118.70 121.20 2di9 s GLU 97 Ca 0.00 0.77 0.00 0.00 0.03 0.00 0.00 54.97 55.77 2di9 s GLU 97 Cb 0.00 0.04 0.02 0.00 -0.80 0.00 0.00 34.13 33.38 2di9 s GLU 97 CO 0.00 -0.14 -0.17 0.71 -1.33 0.00 0.00 175.26 174.33 2di9 s TYR 98 N 1.17 2.82 -0.52 4.83 1.51 -0.97 -4.08 117.35 122.11 2di9 s TYR 98 Ca -0.08 -1.53 -0.20 0.00 -1.01 0.00 0.00 57.07 54.25 2di9 s TYR 98 Cb -0.07 -1.95 0.05 0.00 -0.11 0.00 0.00 41.96 39.88 2di9 s TYR 98 CO -0.10 -0.76 0.70 -0.06 -1.11 0.00 0.00 175.55 174.21 2di9 s PHE 99 N 1.32 2.99 -0.50 2.71 0.40 -1.26 -1.59 117.98 122.04 2di9 s PHE 99 Ca 0.05 -0.43 -0.28 0.00 -0.60 0.00 0.00 56.93 55.67 2di9 s PHE 99 Cb -0.13 -3.66 0.03 0.00 0.51 0.00 0.00 43.02 39.76 2di9 s PHE 99 CO -0.11 -1.11 1.11 0.08 0.70 0.00 0.00 175.22 175.89 2di9 s VAL 100 N 2.93 4.21 -0.51 -0.44 1.01 -1.22 -1.38 120.40 124.99 2di9 s VAL 100 Ca 0.18 1.05 -0.27 0.00 0.00 0.00 0.00 61.98 62.94 2di9 s VAL 100 Cb -0.18 -4.61 0.03 0.00 0.00 0.00 0.00 36.38 31.63 2di9 s VAL 100 CO 0.13 -1.07 1.08 0.20 0.00 0.00 0.00 175.10 175.45 2di9 s ASN 101 N 2.56 6.52 -0.33 3.32 0.01 -0.27 -2.43 114.94 124.33 2di9 s ASN 101 Ca 0.45 0.19 -0.06 0.00 -0.71 0.00 0.00 52.86 52.73 2di9 s ASN 101 Cb -0.08 -2.51 0.04 0.00 0.41 0.00 0.00 41.25 39.10 2di9 s ASN 101 CO 0.29 -1.27 0.08 -0.63 -1.51 0.00 0.00 177.10 174.07 2di9 s ILE 102 N 4.38 3.69 -0.04 0.60 1.01 -1.26 -2.64 121.20 126.94 2di9 s ILE 102 Ca 0.42 -1.09 0.02 0.00 0.00 0.00 0.00 60.65 60.00 2di9 s ILE 102 Cb -0.08 -3.06 0.01 0.00 0.01 0.00 0.00 42.46 39.34 2di9 s ILE 102 CO 0.27 -0.12 -0.09 -1.48 0.00 0.00 0.00 174.94 173.53 2di9 s LEU 103 N 1.40 1.59 -0.39 2.97 0.05 -1.13 -1.46 118.68 121.71 2di9 s LEU 103 Ca -0.01 -0.20 -0.11 0.00 0.05 0.00 0.00 54.13 53.85 2di9 s LEU 103 Cb -0.19 -0.61 0.04 0.00 -2.05 0.00 0.00 46.19 43.38 2di9 s LEU 103 CO 0.02 0.02 0.24 0.12 -0.55 0.00 0.00 176.35 176.20 2di9 s PHE 104 N 0.58 3.26 -1.22 3.48 5.36 0.12 -0.64 117.98 128.92 2di9 s PHE 104 Ca -0.10 -1.03 -0.03 0.00 -0.96 0.00 0.00 56.93 54.82 2di9 s PHE 104 Cb -0.13 -2.60 0.00 0.00 -0.34 0.00 0.00 43.02 39.95 2di9 s PHE 104 CO 0.01 -0.69 1.03 0.39 -1.46 0.00 0.00 175.22 174.50 2di9 n GLU 105 N 5.02 -6.87 -2.14 10.12 1.02 -0.45 -2.09 120.64 125.25 2di9 n GLU 105 Ca -0.11 0.82 -0.11 0.00 -0.02 0.00 0.00 57.16 57.74 2di9 n GLU 105 Cb 0.45 -5.80 -0.01 0.00 -0.02 0.00 0.00 31.44 26.07 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 -4.31 -0.90 -3.75 3.49 1.02 -1.26 -5.00 120.64 109.92 2di9 n GLU 106 Ca -0.20 0.59 -0.29 0.00 -0.02 0.00 0.00 57.16 57.24 2di9 n GLU 106 Cb 0.63 -4.71 -0.16 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 -2.56 0.73 0.10 2.62 1.01 -0.89 -5.11 120.40 116.31 2di9 s VAL 107 Ca 0.00 -0.91 -0.32 0.00 0.00 0.00 0.00 61.98 60.76 2di9 s VAL 107 Cb 0.00 -1.32 -0.11 0.00 0.00 0.00 0.00 36.38 34.95 2di9 s VAL 107 CO 0.00 -0.36 1.82 1.41 0.00 0.00 0.00 175.10 177.97 2di9 n HIS 108 N 4.95 2.55 -2.18 5.22 8.25 -1.26 0.13 115.22 132.89 2di9 n HIS 108 Ca -0.07 -0.10 -0.34 0.00 -0.26 0.00 0.00 57.72 56.96 2di9 n HIS 108 Cb 0.45 -2.71 0.00 0.00 1.12 0.00 0.00 29.99 28.85 2di9 n HIS 108 CO 0.00 0.00 0.00 0.96 0.64 0.00 0.00 176.34 177.94 2di9 s ILE 109 N 2.73 3.57 -1.14 1.59 -4.36 -0.53 -4.90 121.20 118.16 2di9 s ILE 109 Ca 0.83 0.85 -0.23 0.00 -0.26 0.00 0.00 60.65 61.84 2di9 s ILE 109 Cb -0.52 -3.33 -0.08 0.00 1.25 0.00 0.00 42.46 39.77 2di9 s ILE 109 CO 0.39 -0.33 1.94 -2.16 0.24 0.00 0.00 174.94 175.01 2di9 s PRO 110 N -3.68 2.51 0.00 0.37 0.04 -1.26 -2.44 135.00 130.53 2di9 s PRO 110 Ca 0.67 -1.02 0.00 0.00 0.04 0.00 0.00 61.00 60.69 2di9 s PRO 110 Cb -0.19 -5.21 0.00 0.00 0.04 0.00 0.00 34.50 29.14 2di9 s PRO 110 CO 0.31 -3.89 0.00 0.41 0.04 0.00 0.00 177.00 173.87 2di9 n GLY 111 N 5.98 0.04 3.82 0.56 0.00 -1.26 -4.98 105.19 109.35 2di9 n GLY 111 Ca 0.44 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.21 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 5.59 0.70 1.61 0.15 -1.02 -4.02 113.70 116.71 2di9 s SER 112 Ca 0.00 -0.13 -0.13 0.00 0.70 0.00 0.00 55.95 56.39 2di9 s SER 112 Cb 0.00 -1.48 0.02 0.00 -1.71 0.00 0.00 66.02 62.85 2di9 s SER 112 CO 0.00 0.05 1.10 -2.16 1.20 0.00 0.00 173.24 173.43 2di9 s PRO 113 N -3.26 2.60 -0.66 5.44 0.04 -1.26 -4.83 135.00 133.07 2di9 s PRO 113 Ca 0.32 1.32 -0.10 0.00 0.04 0.00 0.00 61.00 62.57 2di9 s PRO 113 Cb -0.10 -1.93 0.17 0.00 0.04 0.00 0.00 34.50 32.68 2di9 s PRO 113 CO 0.24 -1.40 0.55 -0.06 0.04 0.00 0.00 177.00 176.37 2di9 s PHE 114 N -2.53 3.54 -0.19 0.56 0.40 -1.02 -4.83 117.98 113.90 2di9 s PHE 114 Ca 0.65 -2.11 -0.29 0.00 -0.60 0.00 0.00 56.93 54.58 2di9 s PHE 114 Cb -0.19 -3.56 -0.06 0.00 0.51 0.00 0.00 43.02 39.71 2di9 s PHE 114 CO 0.47 -0.95 2.18 1.17 0.70 0.00 0.00 175.22 178.78 2di9 n LYS 115 N 4.17 2.01 -3.55 0.44 4.81 -1.26 -3.46 118.16 121.32 2di9 n LYS 115 Ca 0.04 0.59 -0.41 0.00 -0.87 0.00 0.00 58.31 57.66 2di9 n LYS 115 Cb 0.42 -3.11 -0.10 0.00 0.02 0.00 0.00 35.03 32.26 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 7.54 3.34 -0.37 3.14 0.00 -0.62 -4.63 121.76 130.17 2di9 s ALA 116 Ca 1.00 -1.89 -0.29 0.00 0.00 0.00 0.00 51.96 50.78 2di9 s ALA 116 Cb -0.41 -2.71 0.00 0.00 0.00 0.00 0.00 23.12 20.00 2di9 s ALA 116 CO 0.38 -1.52 1.40 0.34 0.00 0.00 0.00 175.76 176.37 2di9 s ASP 117 N 1.87 6.42 -0.07 0.00 -1.08 0.23 -2.28 116.67 121.76 2di9 s ASP 117 Ca 0.03 1.00 -0.15 0.00 -0.52 0.00 0.00 52.55 52.90 2di9 s ASP 117 Cb -0.21 -2.54 -0.05 0.00 -1.46 0.00 0.00 42.92 38.66 2di9 s ASP 117 CO 0.06 -1.33 0.39 -0.63 0.52 0.00 0.00 175.17 174.18 2di9 s ILE 118 N 5.16 5.15 0.37 4.11 -1.09 -0.38 -2.99 121.20 131.53 2di9 s ILE 118 Ca 0.61 0.79 0.08 0.00 -2.23 0.00 0.00 60.65 59.90 2di9 s ILE 118 Cb -0.15 -3.71 -0.05 0.00 -1.58 0.00 0.00 42.46 36.96 2di9 s ILE 118 CO 0.30 0.47 0.11 -1.61 -1.23 0.00 0.00 174.94 172.98 2di9 s GLU 119 N -0.28 2.20 0.18 2.79 2.02 -0.05 -3.51 118.70 122.06 2di9 s GLU 119 Ca 0.22 -1.75 -0.24 0.00 0.02 0.00 0.00 54.97 53.22 2di9 s GLU 119 Cb -0.15 -2.00 -0.08 0.00 0.10 0.00 0.00 34.13 32.00 2di9 s GLU 119 CO 0.10 0.02 0.78 -1.64 0.02 0.00 0.00 175.26 174.54 2di9 s MET 120 N -3.82 4.52 0.73 1.61 -1.94 -1.26 -2.53 119.30 116.62 2di9 s MET 120 Ca 0.38 1.12 -0.12 0.00 -1.71 0.00 0.00 55.69 55.36 2di9 s MET 120 Cb 0.01 -3.18 0.04 0.00 2.01 0.00 0.00 34.83 33.71 2di9 s MET 120 CO 0.21 0.53 1.10 -1.25 -0.01 0.00 0.00 175.02 175.60 2di9 s PRO 121 N -1.32 2.45 0.24 2.03 0.04 -1.26 -4.95 135.00 132.23 2di9 s PRO 121 Ca 0.38 1.25 -0.11 0.00 0.04 0.00 0.00 61.00 62.55 2di9 s PRO 121 Cb -0.22 -1.92 -0.01 0.00 0.04 0.00 0.00 34.50 32.40 2di9 s PRO 121 CO 0.25 -1.50 0.43 0.12 0.04 0.00 0.00 177.00 176.34 2di9 s PHE 122 N -2.70 0.47 0.26 0.56 5.36 -1.26 -5.11 117.98 115.55 2di9 s PHE 122 Ca 0.63 -0.81 -0.24 0.00 -0.96 0.00 0.00 56.93 55.55 2di9 s PHE 122 Cb -0.18 0.09 -0.09 0.00 -0.34 0.00 0.00 43.02 42.50 2di9 s PHE 122 CO 0.51 -0.95 0.85 -0.51 -1.46 0.00 0.00 175.22 173.66 2di9 s ASP 123 N -3.04 7.30 -0.02 6.13 1.01 -1.26 -5.00 116.67 121.79 2di9 s ASP 123 Ca 0.25 1.69 -0.26 0.00 0.71 0.00 0.00 52.55 54.94 2di9 s ASP 123 Cb 0.00 -2.52 -0.20 0.00 1.01 0.00 0.00 42.92 41.21 2di9 s ASP 123 CO 0.09 0.03 1.24 1.55 0.21 0.00 0.00 175.17 178.29 2di9 h PRO 124 N 3.54 -0.04 -5.78 8.23 0.13 -2.06 -3.44 132.00 132.57 2di9 h PRO 124 Ca -0.47 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.01 2di9 h PRO 124 Cb 1.20 0.01 -0.06 0.00 0.13 0.00 0.00 31.00 32.27 2di9 h PRO 124 CO 0.66 0.43 -0.50 -1.12 -0.23 0.00 0.00 178.00 177.24 2di9 s SER 125 N -5.64 6.31 -0.25 1.44 0.01 -1.26 -5.09 113.70 109.22 2di9 s SER 125 Ca -0.16 0.36 -0.07 0.00 1.31 0.00 0.00 55.95 57.39 2di9 s SER 125 Cb 0.02 -1.99 -0.03 0.00 0.21 0.00 0.00 66.02 64.23 2di9 s SER 125 CO 0.65 0.31 0.07 -0.55 0.41 0.00 0.00 173.24 174.13 2di9 s SER 126 N -1.65 5.14 -0.27 2.44 0.15 -1.26 -4.79 113.70 113.45 2di9 s SER 126 Ca 0.23 -0.20 -0.00 0.00 0.70 0.00 0.00 55.95 56.68 2di9 s SER 126 Cb -0.12 -1.92 0.00 0.00 -1.71 0.00 0.00 66.02 62.26 2di9 s SER 126 CO 0.14 -0.03 0.01 0.61 1.20 0.00 0.00 173.24 175.17 2di9 n GLY 127 N 4.89 -4.10 0.00 9.45 0.00 -1.26 -4.82 105.19 109.35 2di9 n GLY 127 Ca -0.16 0.40 0.06 0.00 0.00 0.00 0.00 46.02 46.32 2di9 n GLY 127 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2di9 n PRO 128 N 0.60 0.49 -1.07 1.61 -0.04 -1.26 -4.89 135.00 130.44 2di9 n PRO 128 Ca 0.00 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.09 2di9 n PRO 128 Cb 0.01 -1.38 -0.03 0.00 -0.04 0.00 0.00 33.50 32.06 2di9 n PRO 128 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2di9 n SER 129 N -0.88 -0.84 -4.62 3.54 2.88 -1.26 -4.81 113.62 107.62 2di9 n SER 129 Ca 0.09 0.86 -0.43 0.00 -1.33 0.00 0.00 58.87 58.06 2di9 n SER 129 Cb 0.04 -0.72 -0.03 0.00 -0.75 0.00 0.00 64.21 62.76 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 -0.67 6.82 0.00 -3.46 0.01 -1.26 -5.21 113.70 109.92 2di9 s SER 130 Ca 0.51 0.84 0.00 0.00 1.31 0.00 0.00 55.95 58.61 2di9 s SER 130 Cb -0.73 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 62.99 2di9 s SER 130 CO 0.43 -0.88 0.00 0.61 0.41 0.00 0.00 173.24 173.80