#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 -4.78 -4.72 1.61 7.64 -1.26 -4.93 113.62 107.18 2di9 n SER 2 Ca 0.00 -0.69 -0.41 0.00 1.01 0.00 0.00 58.87 58.77 2di9 n SER 2 Cb 0.00 -4.37 -0.04 0.00 -1.01 0.00 0.00 64.21 58.80 2di9 n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2di9 s SER 3 N -3.49 7.38 0.00 6.43 0.15 -1.26 -4.94 113.70 117.97 2di9 s SER 3 Ca 0.53 1.83 0.00 0.00 0.70 0.00 0.00 55.95 59.01 2di9 s SER 3 Cb -0.25 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.47 2di9 s SER 3 CO 0.79 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 175.66 2di9 n GLY 4 N 2.48 -0.29 3.29 9.45 0.00 -1.26 -5.18 105.19 113.68 2di9 n GLY 4 Ca 0.04 0.62 -0.12 0.00 0.00 0.00 0.00 46.02 46.56 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 0.00 -0.45 0.30 1.61 0.01 -1.26 -5.17 113.70 108.74 2di9 s SER 5 Ca 0.00 0.84 -0.19 0.00 1.31 0.00 0.00 55.95 57.91 2di9 s SER 5 Cb 0.00 0.82 0.05 0.00 0.21 0.00 0.00 66.02 67.11 2di9 s SER 5 CO 0.00 -0.15 0.85 -0.55 0.41 0.00 0.00 173.24 173.80 2di9 s SER 6 N 0.50 -0.06 0.00 2.44 0.15 -1.26 -5.18 113.70 110.29 2di9 s SER 6 Ca -0.02 -0.86 0.00 0.00 0.70 0.00 0.00 55.95 55.76 2di9 s SER 6 Cb -0.04 0.71 0.00 0.00 -1.71 0.00 0.00 66.02 64.98 2di9 s SER 6 CO -0.03 -1.39 0.00 0.61 1.20 0.00 0.00 173.24 173.64 2di9 n GLY 7 N -0.55 5.22 3.60 9.45 0.00 -1.26 -5.19 105.19 116.45 2di9 n GLY 7 Ca -0.06 -0.73 -0.06 0.00 0.00 0.00 0.00 46.02 45.17 2di9 n GLY 7 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2di9 s ASP 8 N 1.24 -0.29 -0.06 1.61 -4.77 -1.26 -5.17 116.67 107.98 2di9 s ASP 8 Ca 0.00 -0.15 0.06 0.00 -3.30 0.00 0.00 52.55 49.16 2di9 s ASP 8 Cb 0.00 0.41 -0.01 0.00 -1.09 0.00 0.00 42.92 42.24 2di9 s ASP 8 CO 0.00 -0.71 -0.24 0.54 0.70 0.00 0.00 175.17 175.46 2di9 s VAL 9 N -3.16 1.98 0.16 2.11 0.11 -1.26 -5.13 120.40 115.22 2di9 s VAL 9 Ca 0.08 -1.03 -0.14 0.00 -2.93 0.00 0.00 61.98 57.96 2di9 s VAL 9 Cb -0.01 -1.68 0.02 0.00 -1.53 0.00 0.00 36.38 33.18 2di9 s VAL 9 CO -0.05 0.55 0.40 0.42 -3.33 0.00 0.00 175.10 173.09 2di9 s THR 10 N -0.15 0.06 -0.21 5.04 -4.23 -1.26 -5.16 115.64 109.73 2di9 s THR 10 Ca -0.04 -0.93 -0.07 0.00 -1.18 0.00 0.00 61.69 59.48 2di9 s THR 10 Cb -0.13 -1.53 0.10 0.00 1.34 0.00 0.00 72.50 72.27 2di9 s THR 10 CO 0.03 -0.26 0.43 -0.31 -0.54 0.00 0.00 174.62 173.97 2di9 s TYR 11 N -3.88 -0.83 -0.42 3.99 2.02 -1.26 -5.12 117.35 111.84 2di9 s TYR 11 Ca 0.09 1.51 -0.11 0.00 -0.37 0.00 0.00 57.07 58.19 2di9 s TYR 11 Cb 0.01 0.31 0.06 0.00 -0.40 0.00 0.00 41.96 41.94 2di9 s TYR 11 CO -0.05 -0.52 0.27 -0.51 -1.57 0.00 0.00 175.55 173.17 2di9 s ASP 12 N 2.62 5.76 -0.30 2.29 1.01 -1.26 -4.99 116.67 121.80 2di9 s ASP 12 Ca -0.00 -1.34 -0.08 0.00 0.71 0.00 0.00 52.55 51.84 2di9 s ASP 12 Cb -0.12 -2.03 0.19 0.00 1.01 0.00 0.00 42.92 41.96 2di9 s ASP 12 CO -0.13 -0.52 0.94 -0.83 0.21 0.00 0.00 175.17 174.84 2di9 s GLY 13 N 2.05 -0.88 0.71 0.21 0.00 -1.26 -5.16 107.32 103.00 2di9 s GLY 13 Ca 0.03 2.03 -0.16 0.00 0.00 0.00 0.00 44.72 46.61 2di9 s GLY 13 CO 0.04 3.93 0.41 -2.39 0.00 0.00 0.00 173.10 175.10 2di9 n HIS 14 N 5.26 -1.18 -1.23 1.90 1.44 -1.26 -4.95 115.22 115.20 2di9 n HIS 14 Ca 0.05 0.35 -0.30 0.00 -2.01 0.00 0.00 57.72 55.80 2di9 n HIS 14 Cb 0.56 -1.87 0.11 0.00 0.12 0.00 0.00 29.99 28.91 2di9 n HIS 14 CO 0.00 0.00 0.00 -1.25 -2.81 0.00 0.00 176.34 172.28 2di9 s PRO 15 N -2.54 1.75 0.68 -1.40 0.04 -1.26 -4.98 135.00 127.29 2di9 s PRO 15 Ca 0.64 1.00 -0.17 0.00 0.04 0.00 0.00 61.00 62.50 2di9 s PRO 15 Cb -0.36 -1.85 -0.03 0.00 0.04 0.00 0.00 34.50 32.30 2di9 s PRO 15 CO 0.60 -1.95 0.76 1.33 0.04 0.00 0.00 177.00 177.78 2di9 n VAL 16 N -3.71 2.61 -1.16 -0.36 0.24 -1.26 -4.97 118.33 109.73 2di9 n VAL 16 Ca 0.08 -0.43 -0.29 0.00 -2.04 0.00 0.00 64.34 61.67 2di9 n VAL 16 Cb 0.54 -0.93 0.18 0.00 -1.47 0.00 0.00 33.84 32.16 2di9 n VAL 16 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 2di9 s PRO 17 N -2.84 0.34 0.00 7.34 0.04 -1.26 -5.07 135.00 133.55 2di9 s PRO 17 Ca 0.71 0.50 0.00 0.00 0.04 0.00 0.00 61.00 62.25 2di9 s PRO 17 Cb -0.38 -1.73 0.00 0.00 0.04 0.00 0.00 34.50 32.44 2di9 s PRO 17 CO 0.52 -2.79 0.00 0.41 0.04 0.00 0.00 177.00 175.19 2di9 n GLY 18 N -1.06 -1.02 3.60 0.56 0.00 -1.26 -5.18 105.19 100.83 2di9 n GLY 18 Ca 0.05 0.94 -0.24 0.00 0.00 0.00 0.00 46.02 46.77 2di9 n GLY 18 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2di9 s SER 19 N 0.00 4.32 0.41 1.61 0.01 -1.26 -5.02 113.70 113.77 2di9 s SER 19 Ca 0.00 -0.67 0.29 0.00 1.31 0.00 0.00 55.95 56.88 2di9 s SER 19 Cb 0.00 -0.73 1.20 0.00 0.21 0.00 0.00 66.02 66.69 2di9 s SER 19 CO 0.00 0.04 1.85 1.55 0.41 0.00 0.00 173.24 177.10 2di9 h PRO 20 N 2.29 0.00 -1.69 12.44 0.13 -2.06 -3.17 132.00 139.94 2di9 h PRO 20 Ca -0.45 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.17 2di9 h PRO 20 Cb 1.24 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.17 2di9 h PRO 20 CO 0.58 0.00 0.58 0.66 -0.23 0.00 0.00 178.00 179.59 2di9 n TYR 21 N -2.66 2.05 -0.89 1.56 4.01 -1.26 -4.99 117.16 114.98 2di9 n TYR 21 Ca 0.01 -2.19 -0.33 0.00 -0.16 0.00 0.00 57.90 55.24 2di9 n TYR 21 Cb 0.26 -1.24 0.12 0.00 -0.31 0.00 0.00 39.34 38.18 2di9 n TYR 21 CO 0.00 0.00 0.00 -2.37 -0.46 0.00 0.00 176.86 174.03 2di9 n THR 22 N 0.21 0.54 -2.38 -0.72 5.66 -1.20 -5.01 114.28 111.38 2di9 n THR 22 Ca 0.46 -0.19 -0.25 0.00 -3.05 0.00 0.00 64.05 61.02 2di9 n THR 22 Cb 0.53 -0.78 0.11 0.00 -1.55 0.00 0.00 70.33 68.65 2di9 n THR 22 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 2di9 s VAL 23 N -2.33 2.16 -1.00 1.08 -7.23 -1.26 -4.22 120.40 107.60 2di9 s VAL 23 Ca 0.62 -0.42 -0.13 0.00 -1.81 0.00 0.00 61.98 60.25 2di9 s VAL 23 Cb -0.25 -2.74 0.13 0.00 0.56 0.00 0.00 36.38 34.08 2di9 s VAL 23 CO 0.62 0.00 0.32 -1.84 -0.31 0.00 0.00 175.10 173.89 2di9 n GLU 24 N -3.02 -1.48 -0.21 4.82 0.28 -1.26 -4.85 120.64 114.92 2di9 n GLU 24 Ca 0.14 0.07 -0.20 0.00 -0.16 0.00 0.00 57.16 57.01 2di9 n GLU 24 Cb 0.60 -3.93 0.19 0.00 1.43 0.00 0.00 31.44 29.74 2di9 n GLU 24 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2di9 n ALA 25 N -2.99 -3.40 -1.65 -1.84 0.00 -1.26 -4.75 120.51 104.62 2di9 n ALA 25 Ca 0.06 -0.99 -0.40 0.00 0.00 0.00 0.00 53.44 52.11 2di9 n ALA 25 Cb 0.40 -0.09 -0.03 0.00 0.00 0.00 0.00 19.45 19.73 2di9 n ALA 25 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2di9 s SER 26 N -2.58 5.05 0.10 0.00 0.15 -1.26 -4.95 113.70 110.21 2di9 s SER 26 Ca 0.43 1.41 0.09 0.00 0.70 0.00 0.00 55.95 58.57 2di9 s SER 26 Cb -0.08 -2.51 -0.04 0.00 -1.71 0.00 0.00 66.02 61.69 2di9 s SER 26 CO 0.36 -2.36 -0.18 -0.76 1.20 0.00 0.00 173.24 171.51 2di9 s LEU 27 N 9.88 2.68 0.63 3.45 1.43 -1.26 -5.11 118.68 130.38 2di9 s LEU 27 Ca 0.96 -0.53 -0.16 0.00 -1.03 0.00 0.00 54.13 53.36 2di9 s LEU 27 Cb -0.24 -1.54 -0.02 0.00 0.03 0.00 0.00 46.19 44.42 2di9 s LEU 27 CO 0.30 0.19 1.11 -2.16 0.23 0.00 0.00 176.35 176.03 2di9 s PRO 28 N -1.99 2.95 -0.41 1.29 0.04 -1.26 -3.40 135.00 132.22 2di9 s PRO 28 Ca 0.17 1.45 -0.28 0.00 0.04 0.00 0.00 61.00 62.38 2di9 s PRO 28 Cb -0.11 -1.97 -0.01 0.00 0.04 0.00 0.00 34.50 32.46 2di9 s PRO 28 CO 0.09 -1.14 1.73 -1.25 0.04 0.00 0.00 177.00 176.47 2di9 s PRO 29 N -3.88 3.23 -0.46 0.56 0.04 -1.26 -4.12 135.00 129.12 2di9 s PRO 29 Ca 0.68 1.15 -0.07 0.00 0.04 0.00 0.00 61.00 62.81 2di9 s PRO 29 Cb -0.21 -4.20 0.12 0.00 0.04 0.00 0.00 34.50 30.24 2di9 s PRO 29 CO 0.38 -1.98 0.31 -0.51 0.04 0.00 0.00 177.00 175.23 2di9 s ASP 30 N 6.07 5.57 0.31 6.66 1.01 0.88 -4.94 116.67 132.25 2di9 s ASP 30 Ca 0.73 -1.96 0.10 0.00 0.71 0.00 0.00 52.55 52.13 2di9 s ASP 30 Cb -0.19 -1.96 0.51 0.00 1.01 0.00 0.00 42.92 42.30 2di9 s ASP 30 CO 0.31 -0.65 1.71 1.55 0.21 0.00 0.00 175.17 178.30 2di9 h PRO 31 N 8.32 0.05 -0.42 8.23 0.13 -1.87 -2.98 132.00 143.47 2di9 h PRO 31 Ca -0.18 -0.03 0.12 0.00 -0.87 0.00 0.00 66.00 65.04 2di9 h PRO 31 Cb 1.06 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.18 2di9 h PRO 31 CO 0.81 0.53 0.36 0.66 -0.23 0.00 0.00 178.00 180.13 2di9 h SER 32 N 0.04 0.00 1.37 1.44 4.64 -1.93 0.34 113.55 119.45 2di9 h SER 32 Ca -0.00 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.20 2di9 h SER 32 Cb 0.87 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.94 2di9 h SER 32 CO 0.07 0.00 -0.65 0.11 -0.87 0.00 0.00 176.83 175.49 2di9 h LYS 33 N 0.00 0.00 -6.19 4.77 1.79 -1.87 -3.44 116.57 111.63 2di9 h LYS 33 Ca 0.20 0.00 -0.55 0.00 -2.18 0.00 0.00 60.65 58.11 2di9 h LYS 33 Cb 0.93 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.55 2di9 h LYS 33 CO -0.00 0.47 1.30 0.08 -1.08 0.00 0.00 179.45 180.22 2di9 s VAL 34 N -2.96 3.44 -0.04 0.50 1.01 0.12 -4.73 120.40 117.74 2di9 s VAL 34 Ca 0.03 0.41 0.06 0.00 0.00 0.00 0.00 61.98 62.49 2di9 s VAL 34 Cb 0.08 -3.70 -0.01 0.00 0.00 0.00 0.00 36.38 32.75 2di9 s VAL 34 CO 0.76 -0.51 -0.24 -0.54 0.00 0.00 0.00 175.10 174.56 2di9 s LYS 35 N 6.04 2.23 -0.32 2.72 3.01 -1.14 -4.69 119.74 127.59 2di9 s LYS 35 Ca 0.77 -0.86 -0.03 0.00 -1.01 0.00 0.00 55.97 54.85 2di9 s LYS 35 Cb -0.20 -1.99 0.05 0.00 -1.01 0.00 0.00 37.83 34.68 2di9 s LYS 35 CO 0.30 0.42 0.04 0.00 0.51 0.00 0.00 175.35 176.62 2di9 s ALA 36 N -0.30 2.89 -0.07 5.17 0.00 -1.26 -0.73 121.76 127.45 2di9 s ALA 36 Ca 0.02 -1.80 0.03 0.00 0.00 0.00 0.00 51.96 50.20 2di9 s ALA 36 Cb -0.12 -2.05 0.01 0.00 0.00 0.00 0.00 23.12 20.97 2di9 s ALA 36 CO 0.02 -1.32 -0.15 -3.38 0.00 0.00 0.00 175.76 170.92 2di9 s HIS 37 N 1.28 1.74 0.00 0.00 -3.43 0.49 -4.97 115.29 110.40 2di9 s HIS 37 Ca -0.04 -0.65 0.00 0.00 -0.80 0.00 0.00 55.06 53.57 2di9 s HIS 37 Cb -0.20 -1.23 0.00 0.00 -1.43 0.00 0.00 32.58 29.73 2di9 s HIS 37 CO -0.00 -0.30 0.00 0.41 -2.00 0.00 0.00 174.74 172.85 2di9 n GLY 38 N 3.69 -0.83 0.07 -1.38 0.00 -1.26 -0.29 105.19 105.19 2di9 n GLY 38 Ca -0.22 -1.22 -0.13 0.00 0.00 0.00 0.00 46.02 44.45 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 0.07 -0.69 1.61 0.13 -1.91 -3.11 132.00 128.10 2di9 h PRO 39 Ca 0.00 -0.04 0.20 0.00 -0.87 0.00 0.00 66.00 65.29 2di9 h PRO 39 Cb 0.00 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.10 2di9 h PRO 39 CO 0.00 0.54 0.92 0.78 -0.23 0.00 0.00 178.00 180.01 2di9 h GLY 40 N -0.39 0.00 0.32 1.56 0.00 -1.38 0.39 103.07 103.58 2di9 h GLY 40 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.28 2di9 h GLY 40 CO 0.01 0.00 -0.24 1.41 0.00 0.00 0.00 176.54 177.72 2di9 h LEU 41 N 0.00 0.17 -1.31 3.11 3.38 -1.80 -3.30 115.31 115.56 2di9 h LEU 41 Ca 0.33 -0.88 -0.05 0.00 0.09 0.00 0.00 57.88 57.37 2di9 h LEU 41 Cb 2.16 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 42.85 2di9 h LEU 41 CO -0.00 1.03 -0.12 -0.33 0.09 0.00 0.00 178.44 179.11 2di9 h GLU 42 N -0.67 0.32 0.00 1.13 5.08 -0.35 -3.22 114.58 116.87 2di9 h GLU 42 Ca -0.04 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 2di9 h GLU 42 Cb 1.09 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.30 2di9 h GLU 42 CO 0.05 0.45 0.00 0.41 -1.00 0.00 0.00 179.01 178.91 2di9 n GLY 43 N -0.81 0.16 0.00 -3.84 0.00 -0.35 -2.17 105.19 98.18 2di9 n GLY 43 Ca -0.00 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.37 2di9 n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2di9 n GLY 44 N 0.00 1.93 3.17 -0.02 0.00 -1.18 -4.07 105.19 105.02 2di9 n GLY 44 Ca 0.00 -0.18 -0.18 0.00 0.00 0.00 0.00 46.02 45.66 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 2.28 0.44 0.99 1.43 -1.26 -0.98 118.68 121.58 2di9 s LEU 45 Ca 0.00 -0.62 -0.25 0.00 -1.03 0.00 0.00 54.13 52.23 2di9 s LEU 45 Cb 0.00 -0.50 -0.08 0.00 0.03 0.00 0.00 46.19 45.64 2di9 s LEU 45 CO 0.00 -0.08 1.31 -0.69 0.23 0.00 0.00 176.35 177.12 2di9 s VAL 46 N -1.32 2.52 0.00 -1.59 1.01 -1.03 -2.12 120.40 117.87 2di9 s VAL 46 Ca -0.02 0.44 0.00 0.00 0.00 0.00 0.00 61.98 62.40 2di9 s VAL 46 Cb -0.10 -3.25 0.00 0.00 0.00 0.00 0.00 36.38 33.03 2di9 s VAL 46 CO 0.02 0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.78 2di9 n GLY 47 N 0.63 0.15 3.45 4.51 0.00 -1.20 -4.74 105.19 107.99 2di9 n GLY 47 Ca 0.05 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 -1.33 2.03 0.32 1.61 1.02 -0.90 -5.01 119.74 117.49 2di9 s LYS 48 Ca 0.00 -1.00 -0.28 0.00 0.02 0.00 0.00 55.97 54.70 2di9 s LYS 48 Cb 0.00 -2.16 -0.10 0.00 -0.52 0.00 0.00 37.83 35.05 2di9 s LYS 48 CO 0.00 0.54 1.22 -1.25 -0.92 0.00 0.00 175.35 174.94 2di9 s PRO 49 N -1.44 4.40 -0.08 -1.68 0.04 -1.26 -4.39 135.00 130.59 2di9 s PRO 49 Ca 0.14 2.03 -0.03 0.00 0.04 0.00 0.00 61.00 63.19 2di9 s PRO 49 Cb -0.10 -3.05 0.04 0.00 0.04 0.00 0.00 34.50 31.42 2di9 s PRO 49 CO 0.05 -0.08 0.10 0.00 0.04 0.00 0.00 177.00 177.12 2di9 s ALA 50 N -1.18 0.12 0.32 8.56 0.00 -0.72 -4.88 121.76 123.98 2di9 s ALA 50 Ca 0.49 0.22 0.03 0.00 0.00 0.00 0.00 51.96 52.70 2di9 s ALA 50 Cb -0.36 -0.79 -0.06 0.00 0.00 0.00 0.00 23.12 21.91 2di9 s ALA 50 CO 0.47 -0.67 0.07 -1.83 0.00 0.00 0.00 175.76 173.80 2di9 s GLU 51 N 2.21 1.62 0.32 0.00 -1.05 -1.26 -1.17 118.70 119.38 2di9 s GLU 51 Ca 0.04 -1.90 0.01 0.00 -0.15 0.00 0.00 54.97 52.97 2di9 s GLU 51 Cb -0.13 -0.73 -0.01 0.00 -0.44 0.00 0.00 34.13 32.81 2di9 s GLU 51 CO -0.05 -0.23 0.36 -0.59 0.95 0.00 0.00 175.26 175.70 2di9 s PHE 52 N -3.38 1.31 -0.23 4.83 -0.71 -1.23 -1.42 117.98 117.15 2di9 s PHE 52 Ca 0.36 -1.42 -0.07 0.00 -1.04 0.00 0.00 56.93 54.75 2di9 s PHE 52 Cb 0.08 -0.37 -0.03 0.00 -1.21 0.00 0.00 43.02 41.49 2di9 s PHE 52 CO 0.15 -0.98 0.07 0.99 -1.34 0.00 0.00 175.22 174.12 2di9 s THR 53 N -3.36 4.48 -0.12 -4.49 2.01 0.61 -4.11 115.64 110.65 2di9 s THR 53 Ca 0.35 -0.12 -0.02 0.00 0.31 0.00 0.00 61.69 62.21 2di9 s THR 53 Cb 0.01 -3.08 -0.03 0.00 0.01 0.00 0.00 72.50 69.42 2di9 s THR 53 CO 0.22 0.36 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.82 2di9 s ILE 54 N 1.29 3.72 -0.19 1.82 1.01 -1.01 -0.38 121.20 127.47 2di9 s ILE 54 Ca 0.05 -0.44 -0.08 0.00 0.00 0.00 0.00 60.65 60.18 2di9 s ILE 54 Cb -0.15 -2.58 -0.04 0.00 0.01 0.00 0.00 42.46 39.70 2di9 s ILE 54 CO 0.04 0.54 0.07 -0.62 0.00 0.00 0.00 174.94 174.97 2di9 s ASP 55 N -0.09 5.72 0.00 3.58 -1.08 0.09 -3.09 116.67 121.79 2di9 s ASP 55 Ca 0.01 0.10 0.00 0.00 -0.52 0.00 0.00 52.55 52.14 2di9 s ASP 55 Cb -0.13 -1.98 0.00 0.00 -1.46 0.00 0.00 42.92 39.34 2di9 s ASP 55 CO 0.03 0.17 0.00 0.35 0.52 0.00 0.00 175.17 176.24 2di9 n THR 56 N 3.57 0.00 -1.50 1.71 -2.24 -1.25 -2.90 114.28 111.67 2di9 n THR 56 Ca -0.16 0.00 -0.48 0.00 -2.27 0.00 0.00 64.05 61.14 2di9 n THR 56 Cb 0.52 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.70 2di9 n THR 56 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 2di9 n LYS 57 N -1.47 1.34 0.00 -0.78 2.85 -1.26 -0.52 118.16 118.33 2di9 n LYS 57 Ca 0.00 0.35 0.00 0.00 -1.05 0.00 0.00 58.31 57.61 2di9 n LYS 57 Cb 0.14 -2.74 0.00 0.00 -0.65 0.00 0.00 35.03 31.79 2di9 n LYS 57 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2di9 n GLY 58 N 6.28 2.24 0.07 2.58 0.00 -1.26 -4.98 105.19 110.13 2di9 n GLY 58 Ca 0.38 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.27 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 0.04 0.00 4.61 0.00 -1.01 -3.46 119.26 119.44 2di9 h ALA 59 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2di9 h ALA 59 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2di9 h ALA 59 CO 0.00 -0.16 0.00 0.41 0.00 0.00 0.00 179.25 179.50 2di9 n GLY 60 N 0.39 0.85 3.39 0.00 0.00 -1.26 -0.08 105.19 108.48 2di9 n GLY 60 Ca -0.08 -0.74 -0.10 0.00 0.00 0.00 0.00 46.02 45.10 2di9 n GLY 60 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2di9 s THR 61 N 0.00 -0.02 -2.42 2.61 2.01 -1.22 -4.90 115.64 111.70 2di9 s THR 61 Ca 0.00 0.06 0.00 0.00 0.31 0.00 0.00 61.69 62.06 2di9 s THR 61 Cb 0.00 -0.73 0.00 0.00 0.01 0.00 0.00 72.50 71.78 2di9 s THR 61 CO 0.00 0.02 0.00 0.61 -0.69 0.00 0.00 174.62 174.56 2di9 n GLY 62 N 4.10 -0.64 3.38 4.40 0.00 -1.26 -3.99 105.19 111.17 2di9 n GLY 62 Ca -0.21 -0.55 -0.21 0.00 0.00 0.00 0.00 46.02 45.05 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 1.55 -0.03 -0.02 0.00 -1.26 -5.00 107.32 102.55 2di9 s GLY 63 Ca 0.00 -1.68 0.03 0.00 0.00 0.00 0.00 44.72 43.07 2di9 s GLY 63 CO 0.00 -1.77 -0.13 -2.27 0.00 0.00 0.00 173.10 168.93 2di9 s LEU 64 N -3.22 1.87 -0.19 0.66 2.96 -1.26 0.13 118.68 119.62 2di9 s LEU 64 Ca 0.23 -0.27 -0.02 0.00 -0.22 0.00 0.00 54.13 53.85 2di9 s LEU 64 Cb -0.03 -0.76 -0.01 0.00 0.50 0.00 0.00 46.19 45.89 2di9 s LEU 64 CO 0.09 0.12 -0.09 -0.83 -1.32 0.00 0.00 176.35 174.32 2di9 s GLY 65 N 0.07 1.56 -0.19 7.98 0.00 0.66 -4.99 107.32 112.42 2di9 s GLY 65 Ca -0.03 -1.10 -0.01 0.00 0.00 0.00 0.00 44.72 43.59 2di9 s GLY 65 CO 0.01 0.24 -0.14 -2.27 0.00 0.00 0.00 173.10 170.94 2di9 s LEU 66 N 1.14 2.41 -0.04 0.66 2.96 -1.25 -2.46 118.68 122.10 2di9 s LEU 66 Ca 0.01 -0.55 0.01 0.00 -0.22 0.00 0.00 54.13 53.39 2di9 s LEU 66 Cb -0.14 -1.57 0.02 0.00 0.50 0.00 0.00 46.19 44.99 2di9 s LEU 66 CO -0.02 0.00 -0.04 0.42 -1.32 0.00 0.00 176.35 175.39 2di9 s THR 67 N 1.30 0.47 -0.39 3.68 -4.23 -1.07 -4.97 115.64 110.43 2di9 s THR 67 Ca 0.04 -0.10 -0.22 0.00 -1.18 0.00 0.00 61.69 60.23 2di9 s THR 67 Cb -0.14 -0.49 0.01 0.00 1.34 0.00 0.00 72.50 73.22 2di9 s THR 67 CO -0.08 0.20 0.73 -0.69 -0.54 0.00 0.00 174.62 174.24 2di9 s VAL 68 N 0.81 4.76 -1.03 2.29 1.01 -1.26 -1.10 120.40 125.88 2di9 s VAL 68 Ca -0.10 0.63 -0.03 0.00 0.00 0.00 0.00 61.98 62.48 2di9 s VAL 68 Cb -0.13 -4.20 0.31 0.00 0.00 0.00 0.00 36.38 32.36 2di9 s VAL 68 CO -0.00 -0.48 1.50 -0.62 0.00 0.00 0.00 175.10 175.49 2di9 n GLU 69 N 6.38 4.53 -1.61 2.72 -0.58 -0.06 -4.82 120.64 127.19 2di9 n GLU 69 Ca 0.01 -4.60 0.00 0.00 -0.42 0.00 0.00 57.16 52.16 2di9 n GLU 69 Cb 0.48 -2.48 0.00 0.00 -0.57 0.00 0.00 31.44 28.87 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 0.97 3.41 0.00 0.62 0.00 -1.26 -3.66 105.19 105.27 2di9 n GLY 70 Ca 0.30 -2.18 0.07 0.00 0.00 0.00 0.00 46.02 44.22 2di9 n GLY 70 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2di9 n PRO 71 N -0.36 0.12 -3.64 1.61 -0.04 -1.26 -4.77 135.00 126.66 2di9 n PRO 71 Ca 0.00 0.19 -0.10 0.00 -0.04 0.00 0.00 63.50 63.55 2di9 n PRO 71 Cb 0.00 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 31.91 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 -3.81 3.37 0.07 0.00 2.12 -1.26 -4.92 118.70 114.27 2di9 s GLU 73 Ca 0.03 -0.88 -0.20 0.00 0.36 0.00 0.00 54.97 54.28 2di9 s GLU 73 Cb 0.02 -4.71 -0.07 0.00 0.26 0.00 0.00 34.13 29.64 2di9 s GLU 73 CO -0.12 -2.05 0.59 0.00 -0.54 0.00 0.00 175.26 173.14 2di9 s ALA 74 N 4.72 3.56 0.58 6.30 0.00 -1.26 -4.99 121.76 130.67 2di9 s ALA 74 Ca 0.36 0.06 -0.20 0.00 0.00 0.00 0.00 51.96 52.18 2di9 s ALA 74 Cb -0.06 -2.68 -0.03 0.00 0.00 0.00 0.00 23.12 20.35 2di9 s ALA 74 CO 0.02 0.36 1.30 0.21 0.00 0.00 0.00 175.76 177.64 2di9 s LYS 75 N -0.98 2.95 -0.22 0.00 2.20 -1.24 -4.84 119.74 117.60 2di9 s LYS 75 Ca 0.30 2.07 -0.03 0.00 -0.36 0.00 0.00 55.97 57.95 2di9 s LYS 75 Cb -0.20 -2.07 0.07 0.00 -1.51 0.00 0.00 37.83 34.13 2di9 s LYS 75 CO 0.19 -1.29 0.06 0.42 -0.36 0.00 0.00 175.35 174.37 2di9 s ILE 76 N -1.40 0.49 -0.48 5.43 1.01 -1.26 -2.56 121.20 122.43 2di9 s ILE 76 Ca 0.76 -0.70 -0.16 0.00 0.00 0.00 0.00 60.65 60.55 2di9 s ILE 76 Cb -0.37 -1.11 0.07 0.00 0.01 0.00 0.00 42.46 41.06 2di9 s ILE 76 CO 0.41 -0.35 0.40 -0.70 0.00 0.00 0.00 174.94 174.71 2di9 s GLU 77 N 1.86 2.98 -0.27 2.79 -6.30 0.47 -4.96 118.70 115.27 2di9 s GLU 77 Ca 0.02 -1.35 -0.13 0.00 -2.50 0.00 0.00 54.97 51.01 2di9 s GLU 77 Cb -0.17 -4.14 -0.04 0.00 0.00 0.00 0.00 34.13 29.78 2di9 s GLU 77 CO -0.14 -1.04 0.28 0.00 0.02 0.00 0.00 175.26 174.38 2di9 s SER 79 N 1.60 0.77 0.53 0.00 0.15 -1.23 -5.02 113.70 110.50 2di9 s SER 79 Ca 0.11 0.01 -0.19 0.00 0.70 0.00 0.00 55.95 56.58 2di9 s SER 79 Cb -0.16 -0.21 -0.06 0.00 -1.71 0.00 0.00 66.02 63.88 2di9 s SER 79 CO 0.10 -0.16 1.08 1.51 1.20 0.00 0.00 173.24 176.96 2di9 s ASP 80 N 1.53 5.95 -0.09 5.45 1.47 -1.26 -2.24 116.67 127.48 2di9 s ASP 80 Ca -0.03 2.01 -0.19 0.00 1.18 0.00 0.00 52.55 55.52 2di9 s ASP 80 Cb -0.13 -2.56 -0.28 0.00 -0.34 0.00 0.00 42.92 39.60 2di9 s ASP 80 CO -0.03 -1.05 0.68 0.78 0.68 0.00 0.00 175.17 176.23 2di9 h ASN 81 N 1.17 0.38 0.00 2.11 2.35 -1.74 -3.47 115.58 116.38 2di9 h ASN 81 Ca -0.49 -0.88 0.00 0.00 -0.55 0.00 0.00 56.30 54.38 2di9 h ASN 81 Cb 1.24 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 39.48 2di9 h ASN 81 CO 0.58 1.49 0.00 0.61 -1.65 0.00 0.00 177.43 178.46 2di9 n GLY 82 N 1.69 2.24 0.01 2.83 0.00 -1.26 -4.92 105.19 105.77 2di9 n GLY 82 Ca -0.20 0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.93 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 0.63 0.00 1.61 8.00 -1.26 -4.90 116.55 120.62 2di9 n ASP 83 Ca 0.00 -0.36 0.00 0.00 0.71 0.00 0.00 54.79 55.14 2di9 n ASP 83 Cb 0.00 0.49 0.00 0.00 -0.02 0.00 0.00 41.12 41.59 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 1.46 1.22 3.51 0.44 0.00 -1.26 -5.08 105.19 105.49 2di9 n GLY 84 Ca 0.04 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.55 1.00 -0.00 2.61 -4.23 -1.26 -3.92 115.64 108.29 2di9 s THR 85 Ca 0.00 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.52 2di9 s THR 85 Cb 0.00 -2.57 -0.00 0.00 1.34 0.00 0.00 72.50 71.26 2di9 s THR 85 CO 0.00 0.00 -0.04 0.00 -0.54 0.00 0.00 174.62 174.04 2di9 s SER 87 N -0.18 4.25 -0.23 0.00 0.15 -0.95 -2.41 113.70 114.33 2di9 s SER 87 Ca 0.01 -2.52 -0.21 0.00 0.70 0.00 0.00 55.95 53.93 2di9 s SER 87 Cb -0.02 -1.40 -0.02 0.00 -1.71 0.00 0.00 66.02 62.87 2di9 s SER 87 CO -0.00 -0.30 0.66 -0.69 1.20 0.00 0.00 173.24 174.10 2di9 s VAL 88 N 0.42 4.98 -0.16 4.45 1.01 -1.26 -3.54 120.40 126.31 2di9 s VAL 88 Ca 0.15 1.21 -0.03 0.00 0.00 0.00 0.00 61.98 63.30 2di9 s VAL 88 Cb -0.23 -3.96 -0.02 0.00 0.00 0.00 0.00 36.38 32.17 2di9 s VAL 88 CO -0.05 0.05 -0.04 -0.94 0.00 0.00 0.00 175.10 174.11 2di9 s SER 89 N 1.34 4.68 0.10 3.32 1.04 -0.32 -3.50 113.70 120.37 2di9 s SER 89 Ca 0.28 -0.18 0.09 0.00 0.48 0.00 0.00 55.95 56.63 2di9 s SER 89 Cb -0.16 -1.77 -0.04 0.00 0.10 0.00 0.00 66.02 64.16 2di9 s SER 89 CO 0.09 0.14 -0.24 -0.72 0.98 0.00 0.00 173.24 173.50 2di9 s TYR 90 N 0.50 2.05 -0.28 5.02 1.13 -0.31 -0.40 117.35 125.06 2di9 s TYR 90 Ca -0.04 -0.40 0.02 0.00 -1.41 0.00 0.00 57.07 55.25 2di9 s TYR 90 Cb -0.14 -1.13 0.08 0.00 -1.10 0.00 0.00 41.96 39.66 2di9 s TYR 90 CO 0.03 0.24 -0.02 -0.51 -2.51 0.00 0.00 175.55 172.78 2di9 s LEU 91 N -1.85 3.53 0.98 -3.49 1.43 -1.06 -1.75 118.68 116.47 2di9 s LEU 91 Ca 0.10 -1.62 -0.12 0.00 -1.03 0.00 0.00 54.13 51.46 2di9 s LEU 91 Cb -0.10 -1.41 0.18 0.00 0.03 0.00 0.00 46.19 44.89 2di9 s LEU 91 CO 0.05 -0.29 1.09 -2.16 0.23 0.00 0.00 176.35 175.27 2di9 s PRO 92 N 1.16 0.60 -0.08 1.29 0.04 -1.26 -3.68 135.00 133.07 2di9 s PRO 92 Ca 0.00 0.59 0.02 0.00 0.04 0.00 0.00 61.00 61.65 2di9 s PRO 92 Cb -0.19 -1.75 -0.06 0.00 0.04 0.00 0.00 34.50 32.54 2di9 s PRO 92 CO -0.08 -2.63 -0.06 0.25 0.04 0.00 0.00 177.00 174.51 2di9 n THR 93 N -4.12 0.49 -4.07 1.26 -2.24 -1.26 -3.23 114.28 101.11 2di9 n THR 93 Ca 0.06 -0.21 -0.13 0.00 -2.27 0.00 0.00 64.05 61.50 2di9 n THR 93 Cb 0.57 -0.81 -0.11 0.00 -2.10 0.00 0.00 70.33 67.87 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 -2.17 0.55 -0.21 -0.78 -2.85 -1.26 -4.67 119.74 108.34 2di9 s LYS 94 Ca -0.10 -0.80 -0.29 0.00 -1.00 0.00 0.00 55.97 53.78 2di9 s LYS 94 Cb 0.03 -0.29 -0.03 0.00 -2.06 0.00 0.00 37.83 35.48 2di9 s LYS 94 CO 0.21 0.05 1.60 -1.25 0.10 0.00 0.00 175.35 176.06 2di9 s PRO 95 N -1.73 3.84 0.00 1.78 0.04 -1.26 -4.78 135.00 132.89 2di9 s PRO 95 Ca -0.09 1.69 0.00 0.00 0.04 0.00 0.00 61.00 62.64 2di9 s PRO 95 Cb -0.09 -4.02 0.00 0.00 0.04 0.00 0.00 34.50 30.43 2di9 s PRO 95 CO 0.00 -1.24 0.00 0.41 0.04 0.00 0.00 177.00 176.21 2di9 n GLY 96 N 4.58 0.86 2.91 0.56 0.00 -1.25 -4.99 105.19 107.87 2di9 n GLY 96 Ca 0.18 0.43 -0.14 0.00 0.00 0.00 0.00 46.02 46.49 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 2.63 0.09 -0.26 1.61 1.03 -1.26 -2.52 118.70 120.02 2di9 s GLU 97 Ca 0.00 0.46 0.01 0.00 0.03 0.00 0.00 54.97 55.47 2di9 s GLU 97 Cb 0.00 -0.20 0.05 0.00 -0.80 0.00 0.00 34.13 33.19 2di9 s GLU 97 CO 0.00 -0.21 -0.09 0.71 -1.33 0.00 0.00 175.26 174.33 2di9 s TYR 98 N 1.57 3.20 -0.40 4.83 1.51 -1.12 -4.14 117.35 122.80 2di9 s TYR 98 Ca -0.05 -2.10 -0.23 0.00 -1.01 0.00 0.00 57.07 53.67 2di9 s TYR 98 Cb -0.12 -1.97 0.02 0.00 -0.11 0.00 0.00 41.96 39.78 2di9 s TYR 98 CO -0.06 -0.84 0.80 -0.06 -1.11 0.00 0.00 175.55 174.27 2di9 s PHE 99 N 1.17 3.05 -0.54 2.71 0.40 -1.24 -2.18 117.98 121.35 2di9 s PHE 99 Ca -0.06 0.41 -0.24 0.00 -0.60 0.00 0.00 56.93 56.44 2di9 s PHE 99 Cb -0.19 -3.55 0.04 0.00 0.51 0.00 0.00 43.02 39.83 2di9 s PHE 99 CO -0.05 -0.86 0.91 0.08 0.70 0.00 0.00 175.22 176.00 2di9 s VAL 100 N 3.24 4.44 -0.40 -0.44 1.01 -1.18 -0.88 120.40 126.18 2di9 s VAL 100 Ca 0.32 0.22 -0.29 0.00 0.00 0.00 0.00 61.98 62.22 2di9 s VAL 100 Cb -0.12 -4.51 0.02 0.00 0.00 0.00 0.00 36.38 31.77 2di9 s VAL 100 CO 0.20 -1.07 1.13 0.20 0.00 0.00 0.00 175.10 175.55 2di9 s ASN 101 N 2.81 6.75 -0.31 3.32 0.01 -0.26 -2.19 114.94 125.07 2di9 s ASN 101 Ca 0.29 0.75 -0.03 0.00 -0.71 0.00 0.00 52.86 53.16 2di9 s ASN 101 Cb -0.13 -2.55 0.04 0.00 0.41 0.00 0.00 41.25 39.02 2di9 s ASN 101 CO 0.19 -1.10 0.03 -0.63 -1.51 0.00 0.00 177.10 174.08 2di9 s ILE 102 N 4.15 3.25 -0.05 0.60 1.01 -1.26 -2.59 121.20 126.30 2di9 s ILE 102 Ca 0.48 -1.25 0.01 0.00 0.00 0.00 0.00 60.65 59.89 2di9 s ILE 102 Cb -0.10 -2.83 0.02 0.00 0.01 0.00 0.00 42.46 39.56 2di9 s ILE 102 CO 0.25 -0.09 -0.07 -1.48 0.00 0.00 0.00 174.94 173.54 2di9 s LEU 103 N 1.31 1.44 -0.33 2.97 0.05 -1.03 -1.69 118.68 121.40 2di9 s LEU 103 Ca -0.03 -0.19 -0.11 0.00 0.05 0.00 0.00 54.13 53.85 2di9 s LEU 103 Cb -0.19 -0.58 0.00 0.00 -2.05 0.00 0.00 46.19 43.37 2di9 s LEU 103 CO -0.00 -0.02 0.18 0.12 -0.55 0.00 0.00 176.35 176.08 2di9 s PHE 104 N 0.83 3.20 -1.31 3.48 5.36 0.12 -0.25 117.98 129.42 2di9 s PHE 104 Ca -0.12 -0.62 -0.05 0.00 -0.96 0.00 0.00 56.93 55.17 2di9 s PHE 104 Cb -0.15 -2.40 0.01 0.00 -0.34 0.00 0.00 43.02 40.14 2di9 s PHE 104 CO 0.01 -0.50 1.05 0.39 -1.46 0.00 0.00 175.22 174.72 2di9 n GLU 105 N 5.01 -6.96 -2.45 10.12 1.02 0.12 -1.91 120.64 125.59 2di9 n GLU 105 Ca -0.13 0.80 -0.12 0.00 -0.02 0.00 0.00 57.16 57.69 2di9 n GLU 105 Cb 0.48 -5.78 0.01 0.00 -0.02 0.00 0.00 31.44 26.13 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 -4.57 -1.82 -3.76 3.49 1.02 -1.26 -5.01 120.64 108.73 2di9 n GLU 106 Ca -0.13 0.53 -0.27 0.00 -0.02 0.00 0.00 57.16 57.27 2di9 n GLU 106 Cb 0.61 -4.60 -0.17 0.00 -0.02 0.00 0.00 31.44 27.26 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 -2.73 0.56 -0.06 2.62 1.01 -0.80 -5.11 120.40 115.90 2di9 s VAL 107 Ca 0.08 -0.46 -0.30 0.00 0.00 0.00 0.00 61.98 61.31 2di9 s VAL 107 Cb -0.04 -0.98 -0.06 0.00 0.00 0.00 0.00 36.38 35.30 2di9 s VAL 107 CO 0.10 -0.10 1.78 -1.00 0.00 0.00 0.00 175.10 175.88 2di9 s HIS 108 N 1.85 1.74 0.63 5.22 3.76 -1.26 0.14 115.29 127.37 2di9 s HIS 108 Ca 0.00 0.06 -0.17 0.00 -0.15 0.00 0.00 55.06 54.80 2di9 s HIS 108 Cb -0.16 -4.02 -0.02 0.00 1.11 0.00 0.00 32.58 29.49 2di9 s HIS 108 CO -0.07 -4.27 1.18 0.96 -0.85 0.00 0.00 174.74 171.68 2di9 s ILE 109 N 4.55 2.75 -1.08 0.60 -4.36 -0.68 -4.88 121.20 118.10 2di9 s ILE 109 Ca 0.79 0.42 -0.23 0.00 -0.26 0.00 0.00 60.65 61.37 2di9 s ILE 109 Cb -0.35 -3.08 -0.07 0.00 1.25 0.00 0.00 42.46 40.21 2di9 s ILE 109 CO 0.33 -0.14 1.94 -2.16 0.24 0.00 0.00 174.94 175.15 2di9 s PRO 110 N -3.58 2.52 0.00 0.37 0.04 -1.26 -2.34 135.00 130.75 2di9 s PRO 110 Ca 0.74 -0.84 0.00 0.00 0.04 0.00 0.00 61.00 60.94 2di9 s PRO 110 Cb -0.27 -5.18 0.00 0.00 0.04 0.00 0.00 34.50 29.09 2di9 s PRO 110 CO 0.36 -3.75 0.00 0.41 0.04 0.00 0.00 177.00 174.06 2di9 n GLY 111 N 6.20 0.25 3.87 0.56 0.00 -1.26 -5.04 105.19 109.77 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 5.92 1.06 1.61 1.04 -0.99 -4.21 113.70 118.13 2di9 s SER 112 Ca 0.00 0.01 -0.14 0.00 0.48 0.00 0.00 55.95 56.30 2di9 s SER 112 Cb 0.00 -1.67 0.22 0.00 0.10 0.00 0.00 66.02 64.67 2di9 s SER 112 CO 0.00 0.06 1.10 -2.16 0.98 0.00 0.00 173.24 173.21 2di9 s PRO 113 N -3.18 -0.10 -0.38 4.02 0.04 -1.26 -4.85 135.00 129.30 2di9 s PRO 113 Ca 0.33 0.34 0.01 0.00 0.04 0.00 0.00 61.00 61.72 2di9 s PRO 113 Cb -0.10 -1.69 0.11 0.00 0.04 0.00 0.00 34.50 32.85 2di9 s PRO 113 CO 0.26 -3.05 0.12 -0.06 0.04 0.00 0.00 177.00 174.31 2di9 s PHE 114 N -2.97 3.68 -0.02 0.56 0.40 -0.93 -4.84 117.98 113.85 2di9 s PHE 114 Ca 0.67 -2.77 -0.30 0.00 -0.60 0.00 0.00 56.93 53.94 2di9 s PHE 114 Cb -0.16 -3.05 -0.08 0.00 0.51 0.00 0.00 43.02 40.23 2di9 s PHE 114 CO 0.57 -0.95 1.98 0.21 0.70 0.00 0.00 175.22 177.73 2di9 s LYS 115 N 0.96 3.95 -0.35 0.44 2.20 -1.26 -3.13 119.74 122.55 2di9 s LYS 115 Ca 0.10 2.45 -0.04 0.00 -0.36 0.00 0.00 55.97 58.12 2di9 s LYS 115 Cb -0.21 -4.19 0.06 0.00 -1.51 0.00 0.00 37.83 31.99 2di9 s LYS 115 CO -0.06 -1.17 0.11 0.00 -0.36 0.00 0.00 175.35 173.87 2di9 s ALA 116 N 5.15 3.02 -0.33 3.13 0.00 -0.93 -4.65 121.76 127.14 2di9 s ALA 116 Ca 0.89 -1.99 -0.29 0.00 0.00 0.00 0.00 51.96 50.57 2di9 s ALA 116 Cb -0.40 -2.23 -0.00 0.00 0.00 0.00 0.00 23.12 20.49 2di9 s ALA 116 CO 0.39 -1.46 1.44 -0.51 0.00 0.00 0.00 175.76 175.62 2di9 s ASP 117 N 1.53 6.43 0.07 0.00 1.01 -0.92 -2.80 116.67 122.00 2di9 s ASP 117 Ca 0.00 1.14 -0.10 0.00 0.71 0.00 0.00 52.55 54.30 2di9 s ASP 117 Cb -0.21 -2.54 -0.06 0.00 1.01 0.00 0.00 42.92 41.13 2di9 s ASP 117 CO -0.00 -1.30 0.40 -0.63 0.21 0.00 0.00 175.17 173.85 2di9 s ILE 118 N 5.12 5.09 0.27 0.77 -1.09 -1.05 -3.10 121.20 127.22 2di9 s ILE 118 Ca 0.63 0.47 0.09 0.00 -2.23 0.00 0.00 60.65 59.61 2di9 s ILE 118 Cb -0.17 -3.65 -0.05 0.00 -1.58 0.00 0.00 42.46 37.01 2di9 s ILE 118 CO 0.29 0.30 -0.14 -1.61 -1.23 0.00 0.00 174.94 172.55 2di9 s GLU 119 N -1.87 1.58 -0.13 2.79 2.02 -0.16 -3.88 118.70 119.05 2di9 s GLU 119 Ca 0.33 -1.75 -0.27 0.00 0.02 0.00 0.00 54.97 53.30 2di9 s GLU 119 Cb -0.14 -1.47 -0.02 0.00 0.10 0.00 0.00 34.13 32.61 2di9 s GLU 119 CO 0.18 0.21 0.89 -1.64 0.02 0.00 0.00 175.26 174.92 2di9 s MET 120 N -3.60 4.36 0.82 1.61 -1.94 -1.26 -2.45 119.30 116.83 2di9 s MET 120 Ca 0.28 1.16 -0.11 0.00 -1.71 0.00 0.00 55.69 55.32 2di9 s MET 120 Cb -0.01 -3.55 0.08 0.00 2.01 0.00 0.00 34.83 33.36 2di9 s MET 120 CO 0.12 -0.29 1.09 -1.25 -0.01 0.00 0.00 175.02 174.69 2di9 s PRO 121 N 1.97 1.91 0.46 2.03 0.04 -1.26 -4.95 135.00 135.20 2di9 s PRO 121 Ca 0.42 1.05 -0.21 0.00 0.04 0.00 0.00 61.00 62.30 2di9 s PRO 121 Cb -0.17 -1.87 -0.11 0.00 0.04 0.00 0.00 34.50 32.39 2di9 s PRO 121 CO 0.15 -1.85 0.57 1.97 0.04 0.00 0.00 177.00 177.88 2di9 n PHE 122 N -3.65 -0.45 -3.43 0.56 1.16 -1.26 -4.95 117.46 105.45 2di9 n PHE 122 Ca 0.08 0.55 -0.37 0.00 -1.87 0.00 0.00 57.45 55.84 2di9 n PHE 122 Cb 0.54 -2.00 -0.06 0.00 -1.61 0.00 0.00 39.48 36.35 2di9 n PHE 122 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 2di9 s ASP 123 N -0.99 6.86 -0.26 5.98 1.11 -1.26 -5.03 116.67 123.08 2di9 s ASP 123 Ca 0.65 1.04 -0.29 0.00 0.18 0.00 0.00 52.55 54.13 2di9 s ASP 123 Cb -0.55 -2.28 -0.02 0.00 1.07 0.00 0.00 42.92 41.14 2di9 s ASP 123 CO 0.57 0.25 1.63 -2.16 1.18 0.00 0.00 175.17 176.65 2di9 s PRO 124 N -1.35 3.68 0.09 8.23 0.04 -1.26 -4.77 135.00 139.66 2di9 s PRO 124 Ca 0.29 1.55 0.00 0.00 0.04 0.00 0.00 61.00 62.88 2di9 s PRO 124 Cb -0.17 -4.07 0.00 0.00 0.04 0.00 0.00 34.50 30.31 2di9 s PRO 124 CO 0.16 -1.43 0.00 0.43 0.04 0.00 0.00 177.00 176.20 2di9 n SER 125 N 8.85 0.19 -4.74 6.66 7.64 -1.26 -5.07 113.62 125.89 2di9 n SER 125 Ca 0.19 0.14 -0.40 0.00 1.01 0.00 0.00 58.87 59.81 2di9 n SER 125 Cb 0.46 0.02 -0.05 0.00 -1.01 0.00 0.00 64.21 63.63 2di9 n SER 125 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2di9 s SER 126 N -5.21 7.51 0.00 6.43 0.15 -1.26 -5.00 113.70 116.31 2di9 s SER 126 Ca 0.00 1.98 0.00 0.00 0.70 0.00 0.00 55.95 58.63 2di9 s SER 126 Cb 0.00 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.70 2di9 s SER 126 CO 0.00 0.01 0.00 0.61 1.20 0.00 0.00 173.24 175.06 2di9 n GLY 127 N 1.70 3.60 0.26 9.45 0.00 -1.26 -5.02 105.19 113.92 2di9 n GLY 127 Ca -0.00 -0.38 -0.12 0.00 0.00 0.00 0.00 46.02 45.51 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 0.89 -6.16 1.61 0.13 -2.07 -3.45 132.00 122.94 2di9 h PRO 128 Ca 0.00 -0.47 -0.67 0.00 -0.87 0.00 0.00 66.00 64.00 2di9 h PRO 128 Cb 0.00 0.02 0.10 0.00 0.13 0.00 0.00 31.00 31.25 2di9 h PRO 128 CO 0.00 1.12 -0.19 0.43 -0.23 0.00 0.00 178.00 179.13 2di9 n SER 129 N -4.05 -0.12 0.07 1.44 7.64 -1.26 -4.89 113.62 112.45 2di9 n SER 129 Ca -0.02 1.15 -0.13 0.00 1.01 0.00 0.00 58.87 60.88 2di9 n SER 129 Cb 0.55 -1.07 -0.09 0.00 -1.01 0.00 0.00 64.21 62.59 2di9 n SER 129 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 2di9 h SER 130 N 1.82 -0.15 0.00 6.43 0.87 -2.04 -3.53 113.55 116.95 2di9 h SER 130 Ca -0.36 -0.28 0.00 0.00 -1.23 0.00 0.00 61.79 59.92 2di9 h SER 130 Cb 1.40 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.40 2di9 h SER 130 CO 0.61 0.21 0.00 0.61 -0.53 0.00 0.00 176.83 177.73