#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cr9 n SER 2 N 0.00 -6.50 0.00 1.61 2.88 -1.26 -5.08 113.62 105.28 2cr9 n SER 2 Ca 0.00 0.88 0.00 0.00 -1.33 0.00 0.00 58.87 58.42 2cr9 n SER 2 Cb 0.00 -4.26 0.00 0.00 -0.75 0.00 0.00 64.21 59.20 2cr9 n SER 2 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2cr9 n SER 3 N 0.27 0.00 0.00 -3.46 3.41 -1.26 -5.12 113.62 107.45 2cr9 n SER 3 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.64 2cr9 n SER 3 Cb 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 2cr9 n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cr9 n GLY 4 N -0.13 0.42 2.71 5.00 0.00 -1.26 -5.13 105.19 106.79 2cr9 n GLY 4 Ca 0.00 -0.24 -0.04 0.00 0.00 0.00 0.00 46.02 45.74 2cr9 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2cr9 n SER 5 N 0.00 -2.23 -1.13 1.61 2.88 -1.26 -5.15 113.62 108.34 2cr9 n SER 5 Ca 0.00 -1.87 0.13 0.00 -1.33 0.00 0.00 58.87 55.80 2cr9 n SER 5 Cb 0.00 1.16 -0.04 0.00 -0.75 0.00 0.00 64.21 64.58 2cr9 n SER 5 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2cr9 n SER 6 N 2.54 -6.02 -3.34 -3.46 3.41 -1.26 -4.81 113.62 100.68 2cr9 n SER 6 Ca 0.13 0.65 -0.19 0.00 -0.26 0.00 0.00 58.87 59.19 2cr9 n SER 6 Cb 0.62 -3.61 0.19 0.00 -0.26 0.00 0.00 64.21 61.15 2cr9 n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cr9 n GLY 7 N -3.48 -2.75 3.32 5.00 0.00 -1.26 -5.06 105.19 100.96 2cr9 n GLY 7 Ca -0.02 -0.89 0.02 0.00 0.00 0.00 0.00 46.02 45.13 2cr9 n GLY 7 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2cr9 s LYS 8 N -3.95 0.23 0.11 1.61 2.20 -1.26 -5.05 119.74 113.63 2cr9 s LYS 8 Ca 0.42 0.56 0.00 0.00 -0.36 0.00 0.00 55.97 56.59 2cr9 s LYS 8 Cb -0.07 0.33 0.00 0.00 -1.51 0.00 0.00 37.83 36.58 2cr9 s LYS 8 CO 0.36 -0.10 0.00 0.45 -0.36 0.00 0.00 175.35 175.69 2cr9 n SER 9 N 4.96 -0.99 -3.14 1.43 2.88 -1.26 -5.09 113.62 112.41 2cr9 n SER 9 Ca -0.08 0.44 -0.19 0.00 -1.33 0.00 0.00 58.87 57.70 2cr9 n SER 9 Cb 0.53 1.19 0.02 0.00 -0.75 0.00 0.00 64.21 65.21 2cr9 n SER 9 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 2cr9 n GLU 10 N -2.84 -2.12 0.00 -1.46 0.00 -1.26 -3.29 120.64 109.67 2cr9 n GLU 10 Ca 0.00 1.79 0.00 0.00 0.00 0.00 0.00 57.16 58.95 2cr9 n GLU 10 Cb 0.00 -3.76 0.00 0.00 0.00 0.00 0.00 31.44 27.68 2cr9 n GLU 10 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2cr9 n LYS 11 N -0.02 0.00 -1.89 5.31 4.76 -1.26 -4.77 118.16 120.28 2cr9 n LYS 11 Ca 0.01 0.00 -0.01 0.00 -2.87 0.00 0.00 58.31 55.44 2cr9 n LYS 11 Cb 0.51 0.00 -0.01 0.00 -1.84 0.00 0.00 35.03 33.69 2cr9 n LYS 11 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 2cr9 n ARG 12 N 0.00 -2.80 -4.43 1.97 0.00 -1.21 -5.07 116.66 105.13 2cr9 n ARG 12 Ca 0.00 2.27 -0.26 0.00 -0.00 0.00 0.00 57.85 59.86 2cr9 n ARG 12 Cb 0.00 -3.04 -0.11 0.00 0.00 0.00 0.00 32.46 29.31 2cr9 n ARG 12 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.63 175.99 2cr9 s MET 13 N -1.07 1.54 -0.29 -0.14 -1.94 -1.26 -5.13 119.30 111.00 2cr9 s MET 13 Ca -0.06 -1.57 -0.14 0.00 -1.71 0.00 0.00 55.69 52.21 2cr9 s MET 13 Cb 0.00 -1.81 0.13 0.00 2.01 0.00 0.00 34.83 35.16 2cr9 s MET 13 CO 0.17 0.38 0.81 -1.59 -0.01 0.00 0.00 175.02 174.79 2cr9 s LYS 14 N -2.84 0.50 0.01 2.03 -2.85 -1.26 -5.17 119.74 110.16 2cr9 s LYS 14 Ca 0.22 1.06 -0.03 0.00 -1.00 0.00 0.00 55.97 56.23 2cr9 s LYS 14 Cb -0.07 0.44 0.01 0.00 -2.06 0.00 0.00 37.83 36.15 2cr9 s LYS 14 CO 0.11 -0.14 0.13 1.28 0.10 0.00 0.00 175.35 176.83 2cr9 n LEU 15 N 4.72 0.00 -3.19 2.77 4.32 -1.26 -5.03 117.00 119.34 2cr9 n LEU 15 Ca -0.14 -0.13 -0.12 0.00 -0.02 0.00 0.00 56.01 55.60 2cr9 n LEU 15 Cb 0.54 0.29 0.00 0.00 -1.62 0.00 0.00 43.42 42.63 2cr9 n LEU 15 CO -0.02 -0.04 -0.10 1.07 -1.22 0.00 0.00 177.39 177.08 2cr9 n THR 16 N -0.09 -1.22 -0.59 -5.08 5.66 -1.26 -4.80 114.28 106.90 2cr9 n THR 16 Ca 0.00 -0.05 -0.30 0.00 -3.05 0.00 0.00 64.05 60.65 2cr9 n THR 16 Cb 0.07 -1.08 0.19 0.00 -1.55 0.00 0.00 70.33 67.96 2cr9 n THR 16 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 2cr9 n LEU 17 N -1.59 -2.08 -0.03 1.09 4.77 -1.26 -4.99 117.00 112.91 2cr9 n LEU 17 Ca -0.11 -0.22 -0.08 0.00 -0.03 0.00 0.00 56.01 55.56 2cr9 n LEU 17 Cb 0.27 -0.97 -0.03 0.00 -2.33 0.00 0.00 43.42 40.35 2cr9 n LEU 17 CO 0.26 -3.22 -0.61 0.29 -1.33 0.00 0.00 177.39 172.78 2cr9 n LYS 18 N -2.71 0.22 0.00 3.23 4.01 -1.26 -5.14 118.16 116.50 2cr9 n LYS 18 Ca 0.02 0.09 0.00 0.00 -0.51 0.00 0.00 58.31 57.91 2cr9 n LYS 18 Cb 0.58 -0.87 0.00 0.00 -0.51 0.00 0.00 35.03 34.23 2cr9 n LYS 18 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2cr9 n GLY 19 N 2.50 -2.06 0.00 0.72 0.00 -1.26 -5.05 105.19 100.03 2cr9 n GLY 19 Ca -0.14 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.29 2cr9 n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cr9 n GLY 20 N -0.06 -1.24 3.95 -0.02 0.00 -1.26 -5.05 105.19 101.51 2cr9 n GLY 20 Ca 0.00 0.49 -0.20 0.00 0.00 0.00 0.00 46.02 46.31 2cr9 n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cr9 s ALA 21 N 0.00 4.09 -0.16 4.61 0.00 -1.26 -5.11 121.76 123.94 2cr9 s ALA 21 Ca 0.00 -1.48 -0.03 0.00 0.00 0.00 0.00 51.96 50.45 2cr9 s ALA 21 Cb 0.00 -1.55 -0.02 0.00 0.00 0.00 0.00 23.12 21.55 2cr9 s ALA 21 CO 0.00 0.01 -0.07 0.00 0.00 0.00 0.00 175.76 175.71 2cr9 s ALA 22 N -2.18 2.86 0.69 0.00 0.00 -1.26 -4.22 121.76 117.64 2cr9 s ALA 22 Ca 0.42 -0.89 -0.17 0.00 0.00 0.00 0.00 51.96 51.33 2cr9 s ALA 22 Cb -0.09 -1.48 -0.01 0.00 0.00 0.00 0.00 23.12 21.55 2cr9 s ALA 22 CO 0.30 0.14 1.03 0.28 0.00 0.00 0.00 175.76 177.50 2cr9 n VAL 23 N 3.70 3.38 -2.68 0.00 0.31 -1.26 -4.89 118.33 116.89 2cr9 n VAL 23 Ca -0.18 -0.42 -0.35 0.00 -0.01 0.00 0.00 64.34 63.39 2cr9 n VAL 23 Cb 0.52 -1.18 -0.05 0.00 -0.91 0.00 0.00 33.84 32.22 2cr9 n VAL 23 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2cr9 s ASP 24 N -1.53 6.85 0.39 4.52 2.15 -1.26 -4.68 116.67 123.11 2cr9 s ASP 24 Ca 0.76 1.87 0.21 0.00 0.43 0.00 0.00 52.55 55.81 2cr9 s ASP 24 Cb -0.36 -2.56 0.59 0.00 -0.30 0.00 0.00 42.92 40.28 2cr9 s ASP 24 CO 0.48 -0.42 1.68 1.55 -0.17 0.00 0.00 175.17 178.29 2cr9 h PRO 25 N 2.27 0.00 0.00 4.34 0.13 -1.97 -2.87 132.00 133.89 2cr9 h PRO 25 Ca -0.48 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.61 2cr9 h PRO 25 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 2cr9 h PRO 25 CO 0.62 0.29 -0.19 -0.44 -0.23 0.00 0.00 178.00 178.05 2cr9 h ASP 26 N 0.00 0.00 1.60 1.44 3.32 -2.03 -1.14 116.42 119.61 2cr9 h ASP 26 Ca -0.00 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.98 2cr9 h ASP 26 Cb 0.98 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.52 2cr9 h ASP 26 CO 0.04 0.19 -0.41 0.77 -1.72 0.00 0.00 179.24 178.11 2cr9 h SER 27 N 0.00 0.00 0.00 6.45 4.64 -1.91 -3.47 113.55 119.26 2cr9 h SER 27 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2cr9 h SER 27 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 2cr9 h SER 27 CO 0.02 0.30 0.00 0.61 -0.87 0.00 0.00 176.83 176.89 2cr9 n GLY 28 N 1.19 0.58 1.83 -0.77 0.00 -0.43 -4.81 105.19 102.77 2cr9 n GLY 28 Ca 0.02 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.08 2cr9 n GLY 28 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2cr9 n LEU 29 N 0.00 5.52 0.21 0.99 4.77 -1.26 -4.17 117.00 123.07 2cr9 n LEU 29 Ca 0.00 -2.82 0.11 0.00 -0.03 0.00 0.00 56.01 53.27 2cr9 n LEU 29 Cb 0.04 -0.69 0.19 0.00 -2.33 0.00 0.00 43.42 40.63 2cr9 n LEU 29 CO 0.00 0.64 0.76 1.05 -1.33 0.00 0.00 177.39 178.51 2cr9 h GLU 30 N 3.45 0.00 -0.02 3.23 4.11 -1.75 -0.09 114.58 123.51 2cr9 h GLU 30 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.49 2cr9 h GLU 30 Cb 1.97 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.22 2cr9 h GLU 30 CO 0.52 0.10 0.00 -2.39 0.07 0.00 0.00 179.01 177.30 2cr9 n HIS 31 N -3.13 0.04 0.07 2.06 1.44 -1.26 -4.78 115.22 109.65 2cr9 n HIS 31 Ca 0.03 -0.62 0.00 0.00 -2.01 0.00 0.00 57.72 55.12 2cr9 n HIS 31 Cb 0.55 -0.08 0.00 0.00 0.12 0.00 0.00 29.99 30.58 2cr9 n HIS 31 CO 0.00 0.00 0.00 0.43 -2.81 0.00 0.00 176.34 173.96 2cr9 n SER 32 N -0.66 0.48 -4.97 4.39 7.64 -1.20 -5.12 113.62 114.18 2cr9 n SER 32 Ca 0.04 0.21 -0.22 0.00 1.01 0.00 0.00 58.87 59.91 2cr9 n SER 32 Cb 0.36 -0.04 0.03 0.00 -1.01 0.00 0.00 64.21 63.54 2cr9 n SER 32 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2cr9 s ALA 33 N -2.00 4.54 0.04 -0.43 0.00 -0.05 -3.85 121.76 120.02 2cr9 s ALA 33 Ca 0.00 -1.76 -0.01 0.00 0.00 0.00 0.00 51.96 50.19 2cr9 s ALA 33 Cb 0.00 -1.15 -0.04 0.00 0.00 0.00 0.00 23.12 21.94 2cr9 s ALA 33 CO 0.00 -0.62 -0.03 -3.38 0.00 0.00 0.00 175.76 171.73 2cr9 s HIS 34 N -2.68 0.46 0.06 0.00 -3.43 -0.90 -4.28 115.29 104.53 2cr9 s HIS 34 Ca 0.50 -0.95 -0.36 0.00 -0.80 0.00 0.00 55.06 53.44 2cr9 s HIS 34 Cb -0.04 -0.35 -0.15 0.00 -1.43 0.00 0.00 32.58 30.61 2cr9 s HIS 34 CO 0.31 -0.34 1.48 0.28 -2.00 0.00 0.00 174.74 174.47 2cr9 n VAL 35 N 0.43 0.06 -2.39 -5.38 0.31 -1.26 -0.55 118.33 109.56 2cr9 n VAL 35 Ca -0.16 -0.01 -0.42 0.00 -0.01 0.00 0.00 64.34 63.74 2cr9 n VAL 35 Cb 0.60 -1.14 -0.03 0.00 -0.91 0.00 0.00 33.84 32.36 2cr9 n VAL 35 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 2cr9 s LEU 36 N 1.12 4.35 0.05 7.52 1.98 0.45 -4.77 118.68 129.38 2cr9 s LEU 36 Ca 0.85 2.02 0.06 0.00 -2.89 0.00 0.00 54.13 54.17 2cr9 s LEU 36 Cb -0.87 -3.57 -0.03 0.00 0.66 0.00 0.00 46.19 42.38 2cr9 s LEU 36 CO 0.46 -0.53 -0.14 -1.61 -1.89 0.00 0.00 176.35 172.64 2cr9 s GLU 37 N 1.36 2.15 -0.02 1.98 2.02 -1.26 -1.25 118.70 123.68 2cr9 s GLU 37 Ca 0.59 -0.96 -0.25 0.00 0.02 0.00 0.00 54.97 54.37 2cr9 s GLU 37 Cb -0.30 -2.27 0.06 0.00 0.10 0.00 0.00 34.13 31.72 2cr9 s GLU 37 CO 0.28 0.54 0.56 0.21 0.02 0.00 0.00 175.26 176.87 2cr9 s LYS 38 N -1.64 0.97 -1.46 1.61 2.20 -0.48 -4.93 119.74 116.00 2cr9 s LYS 38 Ca 0.17 0.04 -0.06 0.00 -0.36 0.00 0.00 55.97 55.75 2cr9 s LYS 38 Cb -0.11 0.45 0.01 0.00 -1.51 0.00 0.00 37.83 36.67 2cr9 s LYS 38 CO 0.08 -0.31 0.12 0.41 -0.36 0.00 0.00 175.35 175.28 2cr9 n GLY 39 N 0.86 -0.24 3.99 5.54 0.00 -1.26 0.17 105.19 114.26 2cr9 n GLY 39 Ca -0.19 0.20 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 2cr9 n GLY 39 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cr9 n GLY 40 N -2.48 -0.48 3.29 -0.02 0.00 -1.26 -4.94 105.19 99.30 2cr9 n GLY 40 Ca -0.29 0.15 -0.15 0.00 0.00 0.00 0.00 46.02 45.74 2cr9 n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cr9 s LYS 41 N -6.69 1.28 -0.04 1.61 -0.14 0.46 -5.16 119.74 111.07 2cr9 s LYS 41 Ca 0.68 -1.66 0.07 0.00 -1.36 0.00 0.00 55.97 53.69 2cr9 s LYS 41 Cb -0.35 -0.27 -0.01 0.00 -1.68 0.00 0.00 37.83 35.51 2cr9 s LYS 41 CO 0.83 -0.22 -0.24 0.08 -0.76 0.00 0.00 175.35 175.04 2cr9 s VAL 42 N -3.70 1.94 -1.16 3.17 1.01 -1.26 -1.38 120.40 119.01 2cr9 s VAL 42 Ca 0.32 -1.03 -0.07 0.00 0.00 0.00 0.00 61.98 61.20 2cr9 s VAL 42 Cb 0.07 -1.62 -0.01 0.00 0.00 0.00 0.00 36.38 34.82 2cr9 s VAL 42 CO 0.09 0.55 2.79 0.49 0.00 0.00 0.00 175.10 179.02 2cr9 n PHE 43 N 2.71 2.09 -3.68 5.22 3.01 -0.38 -4.76 117.46 121.67 2cr9 n PHE 43 Ca -0.17 -2.64 -0.30 0.00 1.01 0.00 0.00 57.45 55.35 2cr9 n PHE 43 Cb 0.52 -1.98 -0.14 0.00 -0.01 0.00 0.00 39.48 37.87 2cr9 n PHE 43 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 2cr9 s SER 44 N 1.18 3.83 0.12 4.37 0.15 -1.26 -2.24 113.70 119.86 2cr9 s SER 44 Ca 0.62 -1.79 0.10 0.00 0.70 0.00 0.00 55.95 55.58 2cr9 s SER 44 Cb 0.23 -0.79 -0.04 0.00 -1.71 0.00 0.00 66.02 63.71 2cr9 s SER 44 CO -0.09 -0.39 -0.23 0.00 1.20 0.00 0.00 173.24 173.73 2cr9 s ALA 45 N 1.44 2.50 -0.34 5.45 0.00 -0.72 -5.05 121.76 125.04 2cr9 s ALA 45 Ca 0.12 -1.41 0.01 0.00 0.00 0.00 0.00 51.96 50.68 2cr9 s ALA 45 Cb -0.19 -0.50 0.11 0.00 0.00 0.00 0.00 23.12 22.54 2cr9 s ALA 45 CO -0.21 0.56 0.11 0.99 0.00 0.00 0.00 175.76 177.21 2cr9 s THR 46 N -1.08 1.43 0.40 0.00 2.01 -1.26 -1.90 115.64 115.24 2cr9 s THR 46 Ca 0.15 -1.91 -0.22 0.00 0.31 0.00 0.00 61.69 60.03 2cr9 s THR 46 Cb -0.10 -2.06 -0.11 0.00 0.01 0.00 0.00 72.50 70.24 2cr9 s THR 46 CO 0.07 -0.69 0.94 -0.76 -0.69 0.00 0.00 174.62 173.49 2cr9 s LEU 47 N 1.16 4.02 -0.26 4.42 1.02 0.46 -0.70 118.68 128.80 2cr9 s LEU 47 Ca 0.11 1.69 -0.13 0.00 0.02 0.00 0.00 54.13 55.82 2cr9 s LEU 47 Cb -0.19 -4.41 0.08 0.00 0.02 0.00 0.00 46.19 41.69 2cr9 s LEU 47 CO -0.16 -0.30 0.62 -0.83 0.02 0.00 0.00 176.35 175.71 2cr9 s GLY 48 N -2.08 -0.58 -0.02 -3.19 0.00 0.14 0.81 107.32 102.41 2cr9 s GLY 48 Ca 0.59 2.21 0.01 0.00 0.00 0.00 0.00 44.72 47.52 2cr9 s GLY 48 CO 0.15 2.36 -0.01 -2.27 0.00 0.00 0.00 173.10 173.33 2cr9 s LEU 49 N 1.81 1.41 -0.04 0.66 2.96 0.14 -3.52 118.68 122.10 2cr9 s LEU 49 Ca -0.09 -0.05 -0.01 0.00 -0.22 0.00 0.00 54.13 53.76 2cr9 s LEU 49 Cb -0.07 -0.24 0.03 0.00 0.50 0.00 0.00 46.19 46.41 2cr9 s LEU 49 CO -0.18 -0.06 0.06 0.54 -1.32 0.00 0.00 176.35 175.39 2cr9 s VAL 50 N 0.71 -0.10 0.43 1.68 0.11 -1.26 0.26 120.40 122.23 2cr9 s VAL 50 Ca -0.07 0.33 -0.21 0.00 -2.93 0.00 0.00 61.98 59.09 2cr9 s VAL 50 Cb -0.11 -0.13 -0.11 0.00 -1.53 0.00 0.00 36.38 34.50 2cr9 s VAL 50 CO -0.01 0.14 0.96 -0.62 -3.33 0.00 0.00 175.10 172.24 2cr9 s ASP 51 N 1.71 6.90 -0.15 3.54 -1.08 0.13 -4.96 116.67 122.76 2cr9 s ASP 51 Ca -0.01 1.74 0.11 0.00 -0.52 0.00 0.00 52.55 53.87 2cr9 s ASP 51 Cb -0.12 -2.55 -0.23 0.00 -1.46 0.00 0.00 42.92 38.56 2cr9 s ASP 51 CO -0.03 -0.39 0.24 0.00 0.52 0.00 0.00 175.17 175.51 2cr9 n ILE 52 N -0.55 1.52 -0.05 4.11 3.06 -1.26 -3.19 119.36 123.00 2cr9 n ILE 52 Ca 0.07 -0.77 -0.01 0.00 -2.50 0.00 0.00 62.75 59.54 2cr9 n ILE 52 Cb 0.53 -0.95 -0.00 0.00 0.54 0.00 0.00 39.64 39.76 2cr9 n ILE 52 CO 0.00 0.00 0.00 0.58 -2.50 0.00 0.00 176.55 174.63 2cr9 h VAL 53 N 0.01 0.00 0.00 9.51 2.07 -1.97 -3.31 116.25 122.56 2cr9 h VAL 53 Ca -0.46 -0.83 0.00 0.00 0.82 0.00 0.00 66.70 66.23 2cr9 h VAL 53 Cb 2.10 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.87 2cr9 h VAL 53 CO 0.03 0.00 0.00 0.29 0.02 0.00 0.00 177.57 177.91 2cr9 n LYS 54 N -4.28 0.12 -2.02 1.57 4.76 -1.26 -4.80 118.16 112.25 2cr9 n LYS 54 Ca -0.01 0.55 -0.15 0.00 -2.87 0.00 0.00 58.31 55.83 2cr9 n LYS 54 Cb 0.06 -1.85 -0.03 0.00 -1.84 0.00 0.00 35.03 31.37 2cr9 n LYS 54 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2cr9 n GLY 55 N -0.97 0.27 3.63 0.72 0.00 -1.19 -4.92 105.19 102.73 2cr9 n GLY 55 Ca -0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 2cr9 n GLY 55 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2cr9 s THR 56 N -2.53 5.25 0.06 2.61 -4.23 -1.23 -4.89 115.64 110.68 2cr9 s THR 56 Ca 0.00 0.14 -0.08 0.00 -1.18 0.00 0.00 61.69 60.57 2cr9 s THR 56 Cb 0.00 -3.45 -0.05 0.00 1.34 0.00 0.00 72.50 70.33 2cr9 s THR 56 CO 0.00 0.33 0.35 0.20 -0.54 0.00 0.00 174.62 174.96 2cr9 s ASN 57 N 1.21 6.58 -0.02 3.99 -0.87 -1.26 0.18 114.94 124.75 2cr9 s ASN 57 Ca 0.07 0.69 -0.03 0.00 -1.57 0.00 0.00 52.86 52.02 2cr9 s ASN 57 Cb -0.14 -2.14 0.00 0.00 -0.02 0.00 0.00 41.25 38.95 2cr9 s ASN 57 CO 0.06 0.19 0.07 -0.44 -2.57 0.00 0.00 177.10 174.40 2cr9 s SER 58 N -1.82 -0.02 -0.02 -1.22 0.01 0.72 -1.79 113.70 109.56 2cr9 s SER 58 Ca 0.32 0.02 -0.01 0.00 1.31 0.00 0.00 55.95 57.60 2cr9 s SER 58 Cb -0.13 0.15 0.01 0.00 0.21 0.00 0.00 66.02 66.26 2cr9 s SER 58 CO 0.18 -0.10 0.03 -0.72 0.41 0.00 0.00 173.24 173.05 2cr9 s TYR 59 N -0.32 -0.02 0.08 2.43 -0.85 -1.00 0.27 117.35 117.95 2cr9 s TYR 59 Ca -0.04 0.11 0.06 0.00 -0.52 0.00 0.00 57.07 56.68 2cr9 s TYR 59 Cb -0.03 -0.07 -0.03 0.00 0.38 0.00 0.00 41.96 42.21 2cr9 s TYR 59 CO 0.00 -0.05 -0.15 -0.47 -1.52 0.00 0.00 175.55 173.36 2cr9 s TYR 60 N 0.41 1.33 0.00 -3.49 5.04 0.24 -3.29 117.35 117.60 2cr9 s TYR 60 Ca -0.03 -0.47 0.02 0.00 -2.44 0.00 0.00 57.07 54.15 2cr9 s TYR 60 Cb -0.05 -0.74 -0.01 0.00 0.35 0.00 0.00 41.96 41.52 2cr9 s TYR 60 CO -0.01 0.09 -0.07 0.15 -1.34 0.00 0.00 175.55 174.37 2cr9 s LYS 61 N -1.93 0.57 -0.06 4.97 -0.14 0.08 -0.40 119.74 122.82 2cr9 s LYS 61 Ca 0.01 -0.33 -0.03 0.00 -1.36 0.00 0.00 55.97 54.26 2cr9 s LYS 61 Cb -0.09 -0.53 0.04 0.00 -1.68 0.00 0.00 37.83 35.57 2cr9 s LYS 61 CO 0.03 0.14 0.14 -1.17 -0.76 0.00 0.00 175.35 173.73 2cr9 s LEU 62 N -0.38 0.71 -0.17 3.17 2.96 -0.80 -1.78 118.68 122.38 2cr9 s LEU 62 Ca 0.01 0.29 -0.15 0.00 -0.22 0.00 0.00 54.13 54.06 2cr9 s LEU 62 Cb -0.04 0.34 0.04 0.00 0.50 0.00 0.00 46.19 47.04 2cr9 s LEU 62 CO -0.00 -0.15 0.45 -1.10 -1.32 0.00 0.00 176.35 174.22 2cr9 s GLN 63 N 1.21 0.52 -0.16 1.98 -0.21 -0.76 -1.76 119.66 120.48 2cr9 s GLN 63 Ca -0.09 0.63 -0.03 0.00 0.02 0.00 0.00 55.36 55.89 2cr9 s GLN 63 Cb -0.12 0.24 -0.02 0.00 1.00 0.00 0.00 33.01 34.11 2cr9 s GLN 63 CO -0.06 -0.07 -0.05 -1.17 -2.12 0.00 0.00 175.29 171.83 2cr9 s LEU 64 N 0.30 3.15 -0.08 2.90 0.20 -0.95 -1.04 118.68 123.16 2cr9 s LEU 64 Ca -0.00 -0.18 0.04 0.00 0.69 0.00 0.00 54.13 54.68 2cr9 s LEU 64 Cb -0.03 -1.76 -0.01 0.00 -0.43 0.00 0.00 46.19 43.96 2cr9 s LEU 64 CO -0.00 0.15 -0.19 -0.76 -0.29 0.00 0.00 176.35 175.26 2cr9 s LEU 65 N 0.45 2.39 0.04 -0.68 2.01 -1.20 0.17 118.68 121.86 2cr9 s LEU 65 Ca -0.04 -0.40 0.06 0.00 0.01 0.00 0.00 54.13 53.76 2cr9 s LEU 65 Cb -0.14 -1.48 -0.03 0.00 0.01 0.00 0.00 46.19 44.54 2cr9 s LEU 65 CO 0.03 0.24 -0.14 -1.83 1.01 0.00 0.00 176.35 175.66 2cr9 s GLU 66 N -0.11 2.20 0.25 1.70 -1.05 0.29 0.14 118.70 122.12 2cr9 s GLU 66 Ca -0.04 -0.92 -0.31 0.00 -0.15 0.00 0.00 54.97 53.55 2cr9 s GLU 66 Cb -0.14 -2.28 -0.12 0.00 -0.44 0.00 0.00 34.13 31.15 2cr9 s GLU 66 CO 0.04 0.55 1.67 0.34 0.95 0.00 0.00 175.26 178.81 2cr9 s ASP 67 N -1.52 6.36 0.59 0.83 2.15 0.54 -2.12 116.67 123.49 2cr9 s ASP 67 Ca 0.16 2.93 0.31 0.00 0.43 0.00 0.00 52.55 56.38 2cr9 s ASP 67 Cb -0.11 -2.62 1.70 0.00 -0.30 0.00 0.00 42.92 41.59 2cr9 s ASP 67 CO 0.07 -0.96 1.94 -0.78 -0.17 0.00 0.00 175.17 175.27 2cr9 h ASP 68 N 5.87 0.00 -0.42 -0.34 1.82 -1.88 1.63 116.42 123.10 2cr9 h ASP 68 Ca -0.45 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.19 2cr9 h ASP 68 Cb 1.21 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.22 2cr9 h ASP 68 CO 0.88 0.00 0.00 0.29 -1.61 0.00 0.00 179.24 178.80 2cr9 n LYS 69 N -2.77 2.08 -3.15 0.28 5.02 -1.26 -4.98 118.16 113.39 2cr9 n LYS 69 Ca -0.02 -1.55 -0.00 0.00 -2.02 0.00 0.00 58.31 54.72 2cr9 n LYS 69 Cb 0.25 -1.38 -0.00 0.00 -0.02 0.00 0.00 35.03 33.88 2cr9 n LYS 69 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2cr9 n GLU 70 N 0.71 -0.63 0.00 1.97 1.02 0.56 -4.83 120.64 119.44 2cr9 n GLU 70 Ca 0.14 0.96 0.00 0.00 -0.02 0.00 0.00 57.16 58.24 2cr9 n GLU 70 Cb 0.39 -1.08 0.00 0.00 -0.02 0.00 0.00 31.44 30.73 2cr9 n GLU 70 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2cr9 n ASN 71 N 1.59 0.00 -4.55 1.62 5.15 -1.26 -5.02 115.26 112.79 2cr9 n ASN 71 Ca -0.00 0.00 -0.27 0.00 -0.60 0.00 0.00 54.58 53.71 2cr9 n ASN 71 Cb 0.36 0.00 -0.10 0.00 -0.53 0.00 0.00 39.78 39.52 2cr9 n ASN 71 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 2cr9 s ARG 72 N 0.00 1.98 0.08 1.20 3.52 -1.26 -4.68 118.95 119.79 2cr9 s ARG 72 Ca 0.00 -1.31 -0.07 0.00 -0.13 0.00 0.00 55.73 54.22 2cr9 s ARG 72 Cb 0.00 -2.11 -0.01 0.00 -1.56 0.00 0.00 34.95 31.27 2cr9 s ARG 72 CO 0.00 0.43 0.14 0.71 -0.81 0.00 0.00 175.30 175.77 2cr9 s TYR 73 N -1.69 0.24 0.32 5.12 1.51 -1.21 0.20 117.35 121.84 2cr9 s TYR 73 Ca 0.24 -0.70 0.03 0.00 -1.01 0.00 0.00 57.07 55.64 2cr9 s TYR 73 Cb -0.09 -0.14 -0.06 0.00 -0.11 0.00 0.00 41.96 41.57 2cr9 s TYR 73 CO 0.14 -0.51 0.08 -1.58 -1.11 0.00 0.00 175.55 172.57 2cr9 s TRP 74 N -3.88 1.85 -0.21 2.71 0.51 0.12 0.17 118.94 120.21 2cr9 s TRP 74 Ca 0.06 -1.05 -0.02 0.00 -2.12 0.00 0.00 56.10 52.97 2cr9 s TRP 74 Cb 0.06 -1.19 0.06 0.00 -0.81 0.00 0.00 33.47 31.59 2cr9 s TRP 74 CO -0.10 -0.11 0.02 0.42 -0.51 0.00 0.00 176.95 176.67 2cr9 s ILE 75 N -3.38 0.76 -0.23 2.03 -1.09 0.47 -3.22 121.20 116.53 2cr9 s ILE 75 Ca 0.35 -0.77 -0.14 0.00 -2.23 0.00 0.00 60.65 57.86 2cr9 s ILE 75 Cb 0.08 -1.24 -0.04 0.00 -1.58 0.00 0.00 42.46 39.67 2cr9 s ILE 75 CO 0.15 -0.23 0.34 0.12 -1.23 0.00 0.00 174.94 174.10 2cr9 s PHE 76 N 1.74 3.33 -0.11 3.97 5.36 -0.21 -1.77 117.98 130.29 2cr9 s PHE 76 Ca -0.01 0.48 -0.03 0.00 -0.96 0.00 0.00 56.93 56.40 2cr9 s PHE 76 Cb -0.17 -2.49 0.05 0.00 -0.34 0.00 0.00 43.02 40.07 2cr9 s PHE 76 CO -0.09 -0.06 0.11 -0.98 -1.46 0.00 0.00 175.22 172.75 2cr9 s ARG 77 N 1.48 0.02 -0.00 10.12 1.70 -0.40 -1.83 118.95 130.04 2cr9 s ARG 77 Ca 0.16 0.27 0.07 0.00 -0.47 0.00 0.00 55.73 55.76 2cr9 s ARG 77 Cb -0.15 -0.93 -0.02 0.00 -0.57 0.00 0.00 34.95 33.28 2cr9 s ARG 77 CO 0.08 -0.46 -0.23 0.45 -1.08 0.00 0.00 175.30 174.05 2cr9 s SER 78 N 2.21 2.70 0.01 -2.89 0.15 -0.74 -0.43 113.70 114.72 2cr9 s SER 78 Ca 0.04 -0.45 0.00 0.00 0.70 0.00 0.00 55.95 56.24 2cr9 s SER 78 Cb -0.14 -0.28 -0.00 0.00 -1.71 0.00 0.00 66.02 63.89 2cr9 s SER 78 CO -0.07 0.26 0.01 -2.67 1.20 0.00 0.00 173.24 171.97 2cr9 n TRP 79 N 2.34 -0.00 0.00 3.44 2.14 -0.69 -0.74 117.44 123.92 2cr9 n TRP 79 Ca -0.16 -0.09 0.00 0.00 2.07 0.00 0.00 57.50 59.32 2cr9 n TRP 79 Cb 0.52 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 31.03 2cr9 n TRP 79 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 2cr9 n GLY 80 N 1.65 4.08 3.89 -1.67 0.00 -1.21 -2.95 105.19 108.98 2cr9 n GLY 80 Ca -0.00 -1.34 -0.30 0.00 0.00 0.00 0.00 46.02 44.38 2cr9 n GLY 80 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2cr9 s ARG 81 N -4.81 0.94 -0.31 1.61 0.52 -0.90 -2.38 118.95 113.62 2cr9 s ARG 81 Ca 0.00 -0.19 0.02 0.00 -0.52 0.00 0.00 55.73 55.05 2cr9 s ARG 81 Cb 0.00 -1.86 0.09 0.00 0.52 0.00 0.00 34.95 33.70 2cr9 s ARG 81 CO 0.00 -2.25 0.03 0.54 0.02 0.00 0.00 175.30 173.64 2cr9 s VAL 82 N -3.70 1.84 0.00 3.52 0.11 -0.74 -4.60 120.40 116.83 2cr9 s VAL 82 Ca 0.70 -1.90 0.00 0.00 -2.93 0.00 0.00 61.98 57.85 2cr9 s VAL 82 Cb -0.07 -2.28 0.00 0.00 -1.53 0.00 0.00 36.38 32.50 2cr9 s VAL 82 CO 0.52 -0.49 0.00 0.61 -3.33 0.00 0.00 175.10 172.41 2cr9 n GLY 83 N 4.47 0.87 0.08 6.54 0.00 -1.26 -4.20 105.19 111.68 2cr9 n GLY 83 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2cr9 n GLY 83 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2cr9 n THR 84 N -2.13 0.00 0.00 2.61 -1.04 -1.26 -5.04 114.28 107.42 2cr9 n THR 84 Ca 0.00 0.10 0.00 0.00 -2.04 0.00 0.00 64.05 62.11 2cr9 n THR 84 Cb 0.00 -1.00 0.00 0.00 -1.82 0.00 0.00 70.33 67.51 2cr9 n THR 84 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 2cr9 n VAL 85 N -1.67 0.00 -1.36 12.58 3.14 -1.26 -5.11 118.33 124.65 2cr9 n VAL 85 Ca 0.00 0.00 -0.46 0.00 -2.96 0.00 0.00 64.34 60.92 2cr9 n VAL 85 Cb 0.00 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 32.75 2cr9 n VAL 85 CO 0.00 0.00 0.00 -0.38 -6.46 0.00 0.00 176.83 169.99 2cr9 n ILE 86 N 0.00 1.86 0.00 1.55 5.41 -1.26 -4.81 119.36 122.11 2cr9 n ILE 86 Ca 0.00 -0.49 0.00 0.00 1.00 0.00 0.00 62.75 63.26 2cr9 n ILE 86 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 2cr9 n ILE 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2cr9 n GLY 87 N 1.98 0.93 3.61 7.39 0.00 -1.26 -2.11 105.19 115.72 2cr9 n GLY 87 Ca 0.17 0.56 -0.00 0.00 0.00 0.00 0.00 46.02 46.75 2cr9 n GLY 87 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cr9 s SER 88 N 0.00 -0.07 0.08 1.61 0.01 -1.15 -4.97 113.70 109.21 2cr9 s SER 88 Ca 0.00 -0.06 0.02 0.00 1.31 0.00 0.00 55.95 57.22 2cr9 s SER 88 Cb 0.00 0.11 -0.04 0.00 0.21 0.00 0.00 66.02 66.31 2cr9 s SER 88 CO 0.00 -0.20 -0.08 0.54 0.41 0.00 0.00 173.24 173.91 2cr9 s ASN 89 N -2.61 1.11 -0.00 2.44 4.22 -1.26 -1.71 114.94 117.13 2cr9 s ASN 89 Ca 0.12 -0.83 -0.00 0.00 -2.14 0.00 0.00 52.86 50.01 2cr9 s ASN 89 Cb 0.03 0.06 -0.00 0.00 1.28 0.00 0.00 41.25 42.62 2cr9 s ASN 89 CO -0.04 -0.35 0.01 -0.75 -2.04 0.00 0.00 177.10 173.93 2cr9 s LYS 90 N -2.95 0.05 0.02 3.55 2.47 0.42 -4.99 119.74 118.32 2cr9 s LYS 90 Ca 0.04 -0.07 0.04 0.00 -1.56 0.00 0.00 55.97 54.42 2cr9 s LYS 90 Cb -0.01 0.02 -0.01 0.00 -1.46 0.00 0.00 37.83 36.37 2cr9 s LYS 90 CO -0.02 -0.01 -0.11 -1.17 0.16 0.00 0.00 175.35 174.20 2cr9 s LEU 91 N -0.19 2.11 0.01 5.43 2.96 -1.26 -1.27 118.68 126.46 2cr9 s LEU 91 Ca -0.02 -0.33 -0.04 0.00 -0.22 0.00 0.00 54.13 53.52 2cr9 s LEU 91 Cb -0.01 -0.49 -0.01 0.00 0.50 0.00 0.00 46.19 46.18 2cr9 s LEU 91 CO -0.00 0.04 0.07 -1.61 -1.32 0.00 0.00 176.35 173.53 2cr9 s GLU 92 N -0.74 0.38 0.03 1.98 2.02 -0.73 -4.96 118.70 116.68 2cr9 s GLU 92 Ca 0.01 -0.42 -0.10 0.00 0.02 0.00 0.00 54.97 54.48 2cr9 s GLU 92 Cb -0.06 0.15 -0.05 0.00 0.10 0.00 0.00 34.13 34.27 2cr9 s GLU 92 CO 0.00 -0.08 0.35 1.14 0.02 0.00 0.00 175.26 176.69 2cr9 s GLN 93 N -1.26 3.72 0.04 1.61 0.00 -1.26 0.18 119.66 122.69 2cr9 s GLN 93 Ca -0.14 0.14 0.05 0.00 -0.00 0.00 0.00 55.36 55.41 2cr9 s GLN 93 Cb -0.08 -3.08 -0.04 0.00 0.00 0.00 0.00 33.01 29.82 2cr9 s GLN 93 CO 0.00 0.62 -0.07 -1.64 0.00 0.00 0.00 175.29 174.21 2cr9 s MET 94 N -1.64 2.42 -0.06 9.60 -1.94 0.44 -4.90 119.30 123.22 2cr9 s MET 94 Ca 0.28 -0.83 -0.13 0.00 -1.71 0.00 0.00 55.69 53.31 2cr9 s MET 94 Cb -0.14 -2.44 -0.09 0.00 2.01 0.00 0.00 34.83 34.17 2cr9 s MET 94 CO 0.16 0.57 0.52 -1.00 -0.01 0.00 0.00 175.02 175.26 2cr9 h PRO 95 N 4.15 -0.26 -6.35 2.03 0.13 -1.92 -3.21 132.00 126.56 2cr9 h PRO 95 Ca -0.48 0.02 -0.61 0.00 -0.87 0.00 0.00 66.00 64.06 2cr9 h PRO 95 Cb 1.17 0.06 -0.12 0.00 0.13 0.00 0.00 31.00 32.24 2cr9 h PRO 95 CO 0.54 -0.02 -0.67 0.45 -0.23 0.00 0.00 178.00 178.07 2cr9 s SER 96 N -5.32 4.66 0.18 1.44 0.15 -1.26 -4.73 113.70 108.81 2cr9 s SER 96 Ca -0.08 -0.45 -0.15 0.00 0.70 0.00 0.00 55.95 55.98 2cr9 s SER 96 Cb 0.00 -0.95 0.15 0.00 -1.71 0.00 0.00 66.02 63.52 2cr9 s SER 96 CO 0.26 0.09 1.68 0.50 1.20 0.00 0.00 173.24 176.97 2cr9 h LYS 97 N 2.70 0.08 0.43 5.44 3.64 -1.90 -1.19 116.57 125.77 2cr9 h LYS 97 Ca -0.47 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 58.89 2cr9 h LYS 97 Cb 1.21 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.00 2cr9 h LYS 97 CO 0.57 0.05 -0.28 0.93 -2.27 0.00 0.00 179.45 178.46 2cr9 h GLU 98 N 0.08 -0.66 -0.87 1.90 5.08 -1.98 0.83 114.58 118.97 2cr9 h GLU 98 Ca 0.23 0.04 0.25 0.00 -1.00 0.00 0.00 59.36 58.89 2cr9 h GLU 98 Cb 0.34 0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.71 2cr9 h GLU 98 CO -0.40 -0.44 0.86 -0.44 -1.00 0.00 0.00 179.01 177.59 2cr9 h ASP 99 N -0.68 0.00 0.05 1.42 3.32 -1.78 0.96 116.42 119.71 2cr9 h ASP 99 Ca -0.05 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.90 2cr9 h ASP 99 Cb 0.56 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.11 2cr9 h ASP 99 CO 0.04 0.00 -0.51 0.00 -1.72 0.00 0.00 179.24 177.05 2cr9 h ALA 100 N 1.10 0.03 0.63 3.45 0.00 0.06 -3.23 119.26 121.30 2cr9 h ALA 100 Ca 0.41 -0.70 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 2cr9 h ALA 100 Cb 2.13 0.17 0.01 0.00 0.00 0.00 0.00 17.79 20.10 2cr9 h ALA 100 CO -0.00 0.27 -0.30 0.82 0.00 0.00 0.00 179.25 180.03 2cr9 h ILE 101 N -0.78 0.36 -0.94 0.00 2.04 0.27 -0.78 117.51 117.68 2cr9 h ILE 101 Ca -0.11 -0.07 0.15 0.00 1.00 0.00 0.00 64.86 65.82 2cr9 h ILE 101 Cb 1.27 0.39 -0.15 0.00 -0.74 0.00 0.00 36.82 37.59 2cr9 h ILE 101 CO 0.01 0.01 -0.36 -0.62 0.00 0.00 0.00 178.15 177.19 2cr9 n GLU 102 N -5.44 -0.22 0.10 2.37 1.02 0.26 0.22 120.64 118.95 2cr9 n GLU 102 Ca -0.13 1.45 -0.13 0.00 -0.02 0.00 0.00 57.16 58.33 2cr9 n GLU 102 Cb 0.35 -2.15 -0.07 0.00 -0.02 0.00 0.00 31.44 29.55 2cr9 n GLU 102 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2cr9 h HIS 103 N 0.00 -0.19 -0.19 -0.32 2.76 -1.54 0.61 115.15 116.28 2cr9 h HIS 103 Ca 0.33 -0.00 0.04 0.00 -2.20 0.00 0.00 60.37 58.54 2cr9 h HIS 103 Cb 0.56 0.07 -0.01 0.00 1.55 0.00 0.00 27.41 29.58 2cr9 h HIS 103 CO -0.82 -0.12 0.14 0.35 -1.30 0.00 0.00 177.93 176.18 2cr9 h PHE 104 N -0.18 0.08 0.15 5.26 3.04 0.16 1.66 116.94 127.11 2cr9 h PHE 104 Ca -0.01 0.00 -0.29 0.00 3.98 0.00 0.00 57.97 61.65 2cr9 h PHE 104 Cb 0.16 -0.03 0.02 0.00 2.56 0.00 0.00 35.95 38.66 2cr9 h PHE 104 CO -0.09 0.05 -1.29 0.52 -2.02 0.00 0.00 178.31 175.48 2cr9 h MET 105 N 0.08 0.37 0.03 1.11 2.86 0.35 -2.93 114.93 116.81 2cr9 h MET 105 Ca 0.09 -0.61 -0.07 0.00 -2.06 0.00 0.00 59.70 57.05 2cr9 h MET 105 Cb 0.25 0.22 0.01 0.00 0.06 0.00 0.00 31.60 32.14 2cr9 h MET 105 CO -0.01 1.28 -0.30 -0.22 1.06 0.00 0.00 176.91 178.72 2cr9 h LYS 106 N 0.12 0.14 -0.07 1.72 3.64 0.13 -2.89 116.57 119.36 2cr9 h LYS 106 Ca -0.17 -0.20 0.03 0.00 -1.27 0.00 0.00 60.65 59.04 2cr9 h LYS 106 Cb 1.99 0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 33.82 2cr9 h LYS 106 CO 0.22 1.02 -0.54 -0.07 -2.27 0.00 0.00 179.45 177.82 2cr9 h LEU 107 N -0.64 -1.68 -0.06 5.20 3.38 0.23 1.07 115.31 122.81 2cr9 h LEU 107 Ca -0.05 0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.12 2cr9 h LEU 107 Cb 1.16 0.65 0.00 0.00 0.09 0.00 0.00 40.66 42.55 2cr9 h LEU 107 CO 0.06 -0.50 0.00 0.00 0.09 0.00 0.00 178.44 178.09 2cr9 n TYR 108 N -5.41 0.04 0.03 1.13 9.36 -1.11 -0.30 117.16 120.90 2cr9 n TYR 108 Ca -0.07 0.02 0.11 0.00 3.32 0.00 0.00 57.90 61.28 2cr9 n TYR 108 Cb 0.38 -0.53 -0.12 0.00 -0.63 0.00 0.00 39.34 38.44 2cr9 n TYR 108 CO 0.00 0.00 0.00 -1.91 0.22 0.00 0.00 176.86 175.17 2cr9 n GLU 109 N -1.54 0.64 0.08 2.98 2.13 0.25 -3.50 120.64 121.69 2cr9 n GLU 109 Ca 0.01 -0.11 -0.09 0.00 0.66 0.00 0.00 57.16 57.62 2cr9 n GLU 109 Cb 0.04 -1.61 -0.09 0.00 0.27 0.00 0.00 31.44 30.06 2cr9 n GLU 109 CO 0.00 0.00 0.00 1.05 -0.41 0.00 0.00 177.13 177.77 2cr9 h GLU 110 N 0.00 0.11 0.02 5.31 4.11 0.39 0.19 114.58 124.71 2cr9 h GLU 110 Ca 0.00 -0.17 -0.00 0.00 0.07 0.00 0.00 59.36 59.26 2cr9 h GLU 110 Cb 1.00 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.31 2cr9 h GLU 110 CO 0.00 1.03 -0.01 0.87 0.07 0.00 0.00 179.01 180.97 2cr9 h LYS 111 N 0.04 -0.02 0.00 1.06 1.79 -1.65 -3.35 116.57 114.44 2cr9 h LYS 111 Ca -0.05 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.38 2cr9 h LYS 111 Cb 1.74 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 32.39 2cr9 h LYS 111 CO 0.15 -0.02 -0.19 1.79 -1.08 0.00 0.00 179.45 180.10 2cr9 h THR 112 N -0.18 1.09 0.00 -0.16 1.35 -1.66 -2.90 112.91 110.45 2cr9 h THR 112 Ca -0.00 -0.67 0.00 0.00 -0.55 0.00 0.00 66.41 65.19 2cr9 h THR 112 Cb 0.02 1.36 0.00 0.00 -1.73 0.00 0.00 68.15 67.80 2cr9 h THR 112 CO 0.00 0.19 0.00 0.61 -0.25 0.00 0.00 175.52 176.07 2cr9 n GLY 113 N -0.94 3.10 3.95 5.82 0.00 0.67 -4.54 105.19 113.26 2cr9 n GLY 113 Ca -0.02 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.77 2cr9 n GLY 113 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2cr9 s ASN 114 N -1.16 6.16 0.31 1.61 0.02 -1.22 -4.84 114.94 115.83 2cr9 s ASN 114 Ca 0.00 0.34 -0.28 0.00 -1.02 0.00 0.00 52.86 51.90 2cr9 s ASN 114 Cb 0.00 -1.84 -0.09 0.00 0.02 0.00 0.00 41.25 39.33 2cr9 s ASN 114 CO 0.00 -0.38 1.11 0.00 0.02 0.00 0.00 177.10 177.84 2cr9 s ALA 115 N -2.34 3.33 0.15 0.60 0.00 -1.26 -4.02 121.76 118.21 2cr9 s ALA 115 Ca 0.42 0.89 -0.17 0.00 0.00 0.00 0.00 51.96 53.10 2cr9 s ALA 115 Cb -0.10 -3.33 0.01 0.00 0.00 0.00 0.00 23.12 19.70 2cr9 s ALA 115 CO 0.36 -0.23 1.79 2.35 0.00 0.00 0.00 175.76 180.03 2cr9 h TRP 116 N 3.45 0.39 -2.37 0.00 2.91 -1.87 -2.84 115.95 115.62 2cr9 h TRP 116 Ca -0.47 0.01 -0.80 0.00 1.13 0.00 0.00 58.89 58.76 2cr9 h TRP 116 Cb 1.22 -0.12 -0.28 0.00 -0.51 0.00 0.00 29.16 29.46 2cr9 h TRP 116 CO 0.58 0.23 0.95 1.58 -1.03 0.00 0.00 178.44 180.75 2cr9 n HIS 117 N -4.89 2.70 -3.38 2.65 -0.00 -1.26 -4.98 115.22 106.06 2cr9 n HIS 117 Ca -0.00 -2.60 -0.20 0.00 0.46 0.00 0.00 57.72 55.38 2cr9 n HIS 117 Cb 0.05 -1.19 -0.01 0.00 -0.12 0.00 0.00 29.99 28.72 2cr9 n HIS 117 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 2cr9 s SER 118 N -1.48 5.20 -0.00 0.26 0.15 -1.07 -5.07 113.70 111.67 2cr9 s SER 118 Ca 0.38 -0.70 -0.02 0.00 0.70 0.00 0.00 55.95 56.31 2cr9 s SER 118 Cb 0.17 -0.44 -0.01 0.00 -1.71 0.00 0.00 66.02 64.03 2cr9 s SER 118 CO -0.09 -0.78 0.43 0.11 1.20 0.00 0.00 173.24 174.11 2cr9 h LYS 119 N 0.82 -0.06 -5.83 5.44 1.57 -1.94 -3.48 116.57 113.09 2cr9 h LYS 119 Ca -0.40 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 57.81 2cr9 h LYS 119 Cb 1.28 0.01 -0.09 0.00 0.08 0.00 0.00 32.23 33.51 2cr9 h LYS 119 CO 0.52 -0.04 -0.50 1.21 -0.57 0.00 0.00 179.45 180.07 2cr9 s ASN 120 N -2.87 4.36 -0.21 0.86 2.47 -1.26 -5.10 114.94 113.18 2cr9 s ASN 120 Ca -0.01 -1.16 -0.00 0.00 0.42 0.00 0.00 52.86 52.11 2cr9 s ASN 120 Cb 0.00 -0.36 0.02 0.00 -1.45 0.00 0.00 41.25 39.47 2cr9 s ASN 120 CO 0.03 -0.59 -0.13 0.12 -3.72 0.00 0.00 177.10 172.82 2cr9 s PHE 121 N -2.64 2.94 -0.48 0.43 5.36 -1.26 -4.95 117.98 117.39 2cr9 s PHE 121 Ca 0.38 -1.60 -0.18 0.00 -0.96 0.00 0.00 56.93 54.57 2cr9 s PHE 121 Cb 0.04 -1.99 0.05 0.00 -0.34 0.00 0.00 43.02 40.79 2cr9 s PHE 121 CO 0.21 -0.76 0.53 0.99 -1.46 0.00 0.00 175.22 174.73 2cr9 s THR 122 N 1.30 5.01 -0.80 0.12 2.01 -1.26 -4.99 115.64 117.03 2cr9 s THR 122 Ca 0.02 -0.57 -0.25 0.00 0.31 0.00 0.00 61.69 61.19 2cr9 s THR 122 Cb -0.15 -4.20 -0.05 0.00 0.01 0.00 0.00 72.50 68.11 2cr9 s THR 122 CO -0.08 -0.66 2.00 -0.75 -0.69 0.00 0.00 174.62 174.43 2cr9 s LYS 123 N 2.29 2.45 0.71 4.92 2.36 -1.26 -4.92 119.74 126.29 2cr9 s LYS 123 Ca 0.12 0.11 -0.09 0.00 -2.55 0.00 0.00 55.97 53.55 2cr9 s LYS 123 Cb -0.20 -4.84 0.04 0.00 -1.05 0.00 0.00 37.83 31.79 2cr9 s LYS 123 CO 0.11 -3.32 1.06 0.71 1.55 0.00 0.00 175.35 175.46 2cr9 s TYR 124 N 10.42 3.10 -0.12 4.03 2.02 -1.26 -5.01 117.35 130.53 2cr9 s TYR 124 Ca 0.73 0.73 -0.29 0.00 -0.37 0.00 0.00 57.07 57.86 2cr9 s TYR 124 Cb -0.09 -3.15 -0.02 0.00 -0.40 0.00 0.00 41.96 38.30 2cr9 s TYR 124 CO 0.07 -1.33 1.26 -1.25 -1.57 0.00 0.00 175.55 172.73 2cr9 s PRO 125 N -5.31 4.27 0.00 -1.71 0.04 -1.26 -3.21 135.00 127.82 2cr9 s PRO 125 Ca 0.59 1.69 0.00 0.00 0.04 0.00 0.00 61.00 63.31 2cr9 s PRO 125 Cb -0.11 -3.70 0.00 0.00 0.04 0.00 0.00 34.50 30.73 2cr9 s PRO 125 CO 0.48 -0.63 0.00 1.63 0.04 0.00 0.00 177.00 178.52 2cr9 n LYS 126 N 6.15 0.00 -1.57 4.56 5.02 -1.26 -4.98 118.16 126.09 2cr9 n LYS 126 Ca 0.13 0.00 -0.48 0.00 -2.02 0.00 0.00 58.31 55.94 2cr9 n LYS 126 Cb 0.45 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.43 2cr9 n LYS 126 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2cr9 n LYS 127 N 0.00 1.11 -1.53 1.97 4.76 -1.20 -4.92 118.16 118.36 2cr9 n LYS 127 Ca 0.00 0.40 -0.31 0.00 -2.87 0.00 0.00 58.31 55.52 2cr9 n LYS 127 Cb 0.00 -1.84 0.06 0.00 -1.84 0.00 0.00 35.03 31.41 2cr9 n LYS 127 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 2cr9 s PHE 128 N -0.39 2.97 0.11 2.13 0.40 -1.09 -4.69 117.98 117.41 2cr9 s PHE 128 Ca 0.70 1.46 -0.02 0.00 -0.60 0.00 0.00 56.93 58.47 2cr9 s PHE 128 Cb -0.84 -2.93 -0.04 0.00 0.51 0.00 0.00 43.02 39.72 2cr9 s PHE 128 CO 0.54 -1.37 0.06 1.52 0.70 0.00 0.00 175.22 176.67 2cr9 s TYR 129 N -2.96 0.70 -0.21 0.36 -0.85 -1.23 -3.86 117.35 109.30 2cr9 s TYR 129 Ca 0.59 -1.12 -0.29 0.00 -0.52 0.00 0.00 57.07 55.73 2cr9 s TYR 129 Cb -0.15 -0.40 -0.01 0.00 0.38 0.00 0.00 41.96 41.78 2cr9 s TYR 129 CO 0.54 -0.50 1.30 -1.25 -1.52 0.00 0.00 175.55 174.12 2cr9 s PRO 130 N -4.00 4.10 0.01 -3.49 0.04 -1.26 0.27 135.00 130.67 2cr9 s PRO 130 Ca 0.18 1.53 -0.11 0.00 0.04 0.00 0.00 61.00 62.64 2cr9 s PRO 130 Cb 0.07 -3.82 -0.06 0.00 0.04 0.00 0.00 34.50 30.73 2cr9 s PRO 130 CO -0.02 -0.88 0.94 -0.07 0.04 0.00 0.00 177.00 177.01 2cr9 h LEU 131 N 10.24 -0.34 -9.27 -3.56 3.38 -1.22 -3.42 115.31 111.13 2cr9 h LEU 131 Ca -0.27 0.01 -0.56 0.00 0.09 0.00 0.00 57.88 57.15 2cr9 h LEU 131 Cb 1.11 0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.90 2cr9 h LEU 131 CO 0.99 -0.20 0.49 -0.70 0.09 0.00 0.00 178.44 179.11 2cr9 s GLU 132 N -3.48 4.42 0.00 1.13 2.12 -1.26 -4.92 118.70 116.72 2cr9 s GLU 132 Ca -0.06 1.31 0.00 0.00 0.36 0.00 0.00 54.97 56.58 2cr9 s GLU 132 Cb 0.01 -3.53 0.00 0.00 0.26 0.00 0.00 34.13 30.86 2cr9 s GLU 132 CO 0.18 -0.26 0.00 -0.89 -0.54 0.00 0.00 175.26 173.74 2cr9 n ILE 133 N 4.45 0.00 -1.70 -3.70 -0.00 -1.26 -4.90 119.36 112.25 2cr9 n ILE 133 Ca 0.07 0.00 -0.01 0.00 -0.00 0.00 0.00 62.75 62.81 2cr9 n ILE 133 Cb 0.49 -0.44 -0.01 0.00 -0.00 0.00 0.00 39.64 39.68 2cr9 n ILE 133 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.55 176.31 2cr9 n SER 134 N -0.98 -3.27 0.00 4.38 2.88 -1.26 -5.08 113.62 110.29 2cr9 n SER 134 Ca 0.00 0.63 0.00 0.00 -1.33 0.00 0.00 58.87 58.17 2cr9 n SER 134 Cb 0.00 -2.64 0.00 0.00 -0.75 0.00 0.00 64.21 60.82 2cr9 n SER 134 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cr9 n GLY 135 N 0.68 3.33 3.78 0.46 0.00 -1.26 -5.11 105.19 107.08 2cr9 n GLY 135 Ca -0.08 -1.64 -0.29 0.00 0.00 0.00 0.00 46.02 44.01 2cr9 n GLY 135 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cr9 s PRO 136 N -4.51 0.75 0.08 1.61 0.04 -1.26 -5.09 135.00 126.62 2cr9 s PRO 136 Ca 0.00 0.14 -0.26 0.00 0.04 0.00 0.00 61.00 60.92 2cr9 s PRO 136 Cb 0.00 -1.81 0.07 0.00 0.04 0.00 0.00 34.50 32.81 2cr9 s PRO 136 CO 0.00 -2.43 0.66 -1.54 0.04 0.00 0.00 177.00 173.73 2cr9 s SER 137 N -4.14 -0.58 -0.37 6.66 1.04 -1.26 -5.04 113.70 110.02 2cr9 s SER 137 Ca 0.66 0.23 -0.20 0.00 0.48 0.00 0.00 55.95 57.12 2cr9 s SER 137 Cb -0.12 0.56 0.03 0.00 0.10 0.00 0.00 66.02 66.58 2cr9 s SER 137 CO 0.54 -0.82 0.47 -1.54 0.98 0.00 0.00 173.24 172.87 2cr9 n SER 138 N 0.06 -6.92 0.00 7.02 3.41 -1.26 -5.24 113.62 110.68 2cr9 n SER 138 Ca -0.17 0.39 0.00 0.00 -0.26 0.00 0.00 58.87 58.84 2cr9 n SER 138 Cb 0.62 -3.58 0.00 0.00 -0.26 0.00 0.00 64.21 60.99 2cr9 n SER 138 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49