#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 0.00 -3.63 1.61 7.64 -1.26 -5.19 113.62 112.79 2cr9 n SER 2 Ca 0.00 0.00 0.01 0.00 1.01 0.00 0.00 58.87 59.89 2cr9 n SER 2 Cb 0.00 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2cr9 n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2cr9 s SER 3 N 0.00 -0.06 -0.17 6.43 0.15 -1.26 -5.19 113.70 113.60 2cr9 s SER 3 Ca 0.00 -0.15 -0.35 0.00 0.70 0.00 0.00 55.95 56.15 2cr9 s SER 3 Cb 0.00 0.18 0.14 0.00 -1.71 0.00 0.00 66.02 64.63 2cr9 s SER 3 CO 0.00 -0.33 1.31 -0.83 1.20 0.00 0.00 173.24 174.60 2cr9 s GLY 4 N -3.00 -0.32 -0.07 9.45 0.00 -1.26 -5.19 107.32 106.92 2cr9 s GLY 4 Ca 0.14 1.41 -0.32 0.00 0.00 0.00 0.00 44.72 45.96 2cr9 s GLY 4 CO -0.04 0.43 1.31 -0.45 0.00 0.00 0.00 173.10 174.35 2cr9 s SER 5 N -2.42 -0.06 0.08 1.64 0.15 -1.26 -5.19 113.70 106.64 2cr9 s SER 5 Ca 0.12 -0.08 -0.27 0.00 0.70 0.00 0.00 55.95 56.42 2cr9 s SER 5 Cb 0.02 0.12 0.09 0.00 -1.71 0.00 0.00 66.02 64.54 2cr9 s SER 5 CO -0.04 -0.22 1.12 -0.44 1.20 0.00 0.00 173.24 174.86 2cr9 s SER 6 N -2.81 -0.10 -0.02 5.45 0.01 -1.26 -5.19 113.70 109.77 2cr9 s SER 6 Ca 0.13 -0.31 -0.30 0.00 1.31 0.00 0.00 55.95 56.78 2cr9 s SER 6 Cb 0.04 0.34 0.11 0.00 0.21 0.00 0.00 66.02 66.72 2cr9 s SER 6 CO -0.04 -0.64 1.10 -0.83 0.41 0.00 0.00 173.24 173.24 2cr9 s GLY 7 N -3.05 -0.35 -0.30 3.44 0.00 -1.26 -5.15 107.32 100.65 2cr9 s GLY 7 Ca 0.15 0.88 -0.03 0.00 0.00 0.00 0.00 44.72 45.72 2cr9 s GLY 7 CO -0.00 0.26 0.61 1.25 0.00 0.00 0.00 173.10 175.22 2cr9 s LYS 8 N -2.79 0.57 -0.30 2.90 2.20 -1.26 -5.14 119.74 115.93 2cr9 s LYS 8 Ca 0.10 1.12 -0.16 0.00 -0.36 0.00 0.00 55.97 56.68 2cr9 s LYS 8 Cb 0.00 0.64 0.16 0.00 -1.51 0.00 0.00 37.83 37.12 2cr9 s LYS 8 CO -0.04 -0.52 1.00 -1.54 -0.36 0.00 0.00 175.35 173.90 2cr9 s SER 9 N 2.87 -0.52 0.15 1.43 1.04 -1.26 -5.18 113.70 112.23 2cr9 s SER 9 Ca 0.14 0.75 -0.22 0.00 0.48 0.00 0.00 55.95 57.11 2cr9 s SER 9 Cb -0.14 1.45 0.06 0.00 0.10 0.00 0.00 66.02 67.49 2cr9 s SER 9 CO -0.20 -0.11 0.56 -0.70 0.98 0.00 0.00 173.24 173.77 2cr9 s GLU 10 N 1.98 1.23 -0.28 4.02 2.12 -1.26 -5.14 118.70 121.37 2cr9 s GLU 10 Ca -0.05 -0.50 0.02 0.00 0.36 0.00 0.00 54.97 54.81 2cr9 s GLU 10 Cb -0.05 0.56 0.07 0.00 0.26 0.00 0.00 34.13 34.98 2cr9 s GLU 10 CO -0.16 -0.52 -0.03 0.15 -0.54 0.00 0.00 175.26 174.15 2cr9 s LYS 11 N -3.68 1.73 -0.40 4.30 -0.14 -1.26 -5.07 119.74 115.22 2cr9 s LYS 11 Ca 0.01 -1.36 -0.27 0.00 -1.36 0.00 0.00 55.97 52.98 2cr9 s LYS 11 Cb -0.00 -2.82 -0.03 0.00 -1.68 0.00 0.00 37.83 33.30 2cr9 s LYS 11 CO -0.12 -0.71 1.99 1.03 -0.76 0.00 0.00 175.35 176.77 2cr9 s ARG 12 N 1.18 2.93 -0.53 1.68 3.00 -1.26 -4.90 118.95 121.04 2cr9 s ARG 12 Ca -0.01 1.34 0.04 0.00 0.00 0.00 0.00 55.73 57.09 2cr9 s ARG 12 Cb -0.19 -4.34 0.15 0.00 0.00 0.00 0.00 34.95 30.58 2cr9 s ARG 12 CO -0.08 -2.34 0.35 -1.64 0.00 0.00 0.00 175.30 171.59 2cr9 s MET 13 N 6.53 1.68 -0.38 3.54 -1.94 -1.26 -4.91 119.30 122.56 2cr9 s MET 13 Ca 0.83 -2.55 -0.13 0.00 -1.71 0.00 0.00 55.69 52.13 2cr9 s MET 13 Cb -0.21 -2.61 0.02 0.00 2.01 0.00 0.00 34.83 34.03 2cr9 s MET 13 CO 0.30 -1.25 0.51 1.63 -0.01 0.00 0.00 175.02 176.20 2cr9 n LYS 14 N 2.82 -2.19 -3.65 2.03 5.02 -1.26 -5.06 118.16 115.87 2cr9 n LYS 14 Ca 0.16 1.99 -0.09 0.00 -2.02 0.00 0.00 58.31 58.36 2cr9 n LYS 14 Cb 0.37 -5.22 -0.08 0.00 -0.02 0.00 0.00 35.03 30.08 2cr9 n LYS 14 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2cr9 s LEU 15 N -2.38 -0.77 -0.65 -0.35 0.20 -1.26 -5.10 118.68 108.36 2cr9 s LEU 15 Ca 0.21 1.41 0.05 0.00 0.69 0.00 0.00 54.13 56.48 2cr9 s LEU 15 Cb -0.06 2.23 0.16 0.00 -0.43 0.00 0.00 46.19 48.09 2cr9 s LEU 15 CO 0.69 -0.23 0.43 0.42 -0.29 0.00 0.00 176.35 177.36 2cr9 s THR 16 N 1.41 2.73 -0.55 3.68 -4.23 -1.26 -5.05 115.64 112.37 2cr9 s THR 16 Ca -0.08 -3.97 -0.23 0.00 -1.18 0.00 0.00 61.69 56.23 2cr9 s THR 16 Cb -0.05 -2.82 0.05 0.00 1.34 0.00 0.00 72.50 71.01 2cr9 s THR 16 CO -0.16 -0.96 0.88 -0.22 -0.54 0.00 0.00 174.62 173.62 2cr9 s LEU 17 N -1.09 4.30 0.05 4.79 1.98 -1.26 -4.95 118.68 122.49 2cr9 s LEU 17 Ca 0.23 -0.51 -0.28 0.00 -2.89 0.00 0.00 54.13 50.68 2cr9 s LEU 17 Cb -0.10 -2.72 0.10 0.00 0.66 0.00 0.00 46.19 44.12 2cr9 s LEU 17 CO -0.12 -1.17 1.15 -0.75 -1.89 0.00 0.00 176.35 173.57 2cr9 s LYS 18 N 3.69 0.71 0.00 1.98 2.20 -1.26 -5.19 119.74 121.87 2cr9 s LYS 18 Ca 0.27 -0.39 0.00 0.00 -0.36 0.00 0.00 55.97 55.49 2cr9 s LYS 18 Cb -0.14 0.24 0.00 0.00 -1.51 0.00 0.00 37.83 36.42 2cr9 s LYS 18 CO 0.17 -0.32 0.00 0.41 -0.36 0.00 0.00 175.35 175.25 2cr9 n GLY 19 N -0.47 5.01 0.00 5.54 0.00 -1.26 -5.06 105.19 108.95 2cr9 n GLY 19 Ca -0.07 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.55 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 0.00 -1.48 3.91 -0.02 0.00 -1.26 -5.07 105.19 101.27 2cr9 n GLY 20 Ca 0.00 0.56 -0.27 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 -1.00 3.23 0.16 4.61 0.00 -1.26 -5.06 121.76 122.43 2cr9 s ALA 21 Ca 0.00 -0.68 -0.14 0.00 0.00 0.00 0.00 51.96 51.13 2cr9 s ALA 21 Cb 0.00 -2.66 -0.07 0.00 0.00 0.00 0.00 23.12 20.39 2cr9 s ALA 21 CO 0.00 -0.92 0.56 0.00 0.00 0.00 0.00 175.76 175.40 2cr9 s ALA 22 N -3.08 3.57 0.23 0.00 0.00 -1.26 -4.29 121.76 116.94 2cr9 s ALA 22 Ca 0.55 -0.12 0.00 0.00 0.00 0.00 0.00 51.96 52.39 2cr9 s ALA 22 Cb -0.11 -2.53 -0.04 0.00 0.00 0.00 0.00 23.12 20.44 2cr9 s ALA 22 CO 0.46 0.45 0.42 0.08 0.00 0.00 0.00 175.76 177.17 2cr9 s VAL 23 N -1.49 5.19 0.26 0.00 1.01 -1.26 -4.86 120.40 119.25 2cr9 s VAL 23 Ca 0.39 -0.47 -0.29 0.00 0.00 0.00 0.00 61.98 61.60 2cr9 s VAL 23 Cb -0.15 -3.77 -0.09 0.00 0.00 0.00 0.00 36.38 32.37 2cr9 s VAL 23 CO 0.19 -0.26 1.00 -0.62 0.00 0.00 0.00 175.10 175.41 2cr9 s ASP 24 N -3.43 7.47 0.49 3.32 2.15 -1.26 -4.79 116.67 120.62 2cr9 s ASP 24 Ca 0.38 2.07 0.28 0.00 0.43 0.00 0.00 52.55 55.71 2cr9 s ASP 24 Cb -0.10 -2.61 0.84 0.00 -0.30 0.00 0.00 42.92 40.74 2cr9 s ASP 24 CO 0.30 0.02 1.79 1.55 -0.17 0.00 0.00 175.17 178.67 2cr9 h PRO 25 N 3.95 0.00 0.00 4.34 0.13 -1.98 -2.70 132.00 135.74 2cr9 h PRO 25 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2cr9 h PRO 25 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2cr9 h PRO 25 CO 0.67 0.03 0.00 0.22 -0.23 0.00 0.00 178.00 178.69 2cr9 h ASP 26 N 0.00 0.00 1.03 1.44 1.82 -2.03 -2.59 116.42 116.08 2cr9 h ASP 26 Ca -0.00 0.00 -0.18 0.00 -0.39 0.00 0.00 57.03 56.45 2cr9 h ASP 26 Cb 0.77 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.76 2cr9 h ASP 26 CO 0.00 0.00 -0.88 0.77 -1.61 0.00 0.00 179.24 177.52 2cr9 h SER 27 N 0.00 0.00 -0.08 2.28 4.64 -1.88 -3.47 113.55 115.04 2cr9 h SER 27 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 2cr9 h SER 27 Cb 0.63 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.71 2cr9 h SER 27 CO 0.00 0.88 -0.03 0.61 -0.87 0.00 0.00 176.83 177.42 2cr9 n GLY 28 N 1.20 0.51 0.31 -0.77 0.00 -0.98 -4.84 105.19 100.62 2cr9 n GLY 28 Ca 0.00 -0.28 0.03 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.19 2.39 0.23 0.99 4.77 -1.26 -4.51 117.00 119.42 2cr9 n LEU 29 Ca -0.02 -1.94 0.15 0.00 -0.03 0.00 0.00 56.01 54.17 2cr9 n LEU 29 Cb 0.14 -0.11 0.45 0.00 -2.33 0.00 0.00 43.42 41.57 2cr9 n LEU 29 CO 0.03 0.59 0.91 1.05 -1.33 0.00 0.00 177.39 178.64 2cr9 h GLU 30 N 1.00 0.00 -0.13 3.23 4.11 -1.74 1.17 114.58 122.22 2cr9 h GLU 30 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2cr9 h GLU 30 Cb 0.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.84 2cr9 h GLU 30 CO 0.00 0.00 0.00 -2.39 0.07 0.00 0.00 179.01 176.69 2cr9 n HIS 31 N -2.97 0.19 0.06 2.06 1.44 -1.26 -4.74 115.22 110.00 2cr9 n HIS 31 Ca 0.02 -0.53 0.00 0.00 -2.01 0.00 0.00 57.72 55.20 2cr9 n HIS 31 Cb 0.39 -0.05 0.00 0.00 0.12 0.00 0.00 29.99 30.45 2cr9 n HIS 31 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 2cr9 n SER 32 N -0.17 0.14 -4.93 4.39 2.88 -1.07 -5.12 113.62 109.73 2cr9 n SER 32 Ca 0.05 0.18 -0.23 0.00 -1.33 0.00 0.00 58.87 57.54 2cr9 n SER 32 Cb 0.35 0.07 0.03 0.00 -0.75 0.00 0.00 64.21 63.91 2cr9 n SER 32 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2cr9 n ALA 33 N -3.08 1.04 -2.70 -1.46 0.00 0.40 -3.99 120.51 110.73 2cr9 n ALA 33 Ca 0.00 -2.20 -0.09 0.00 0.00 0.00 0.00 53.44 51.15 2cr9 n ALA 33 Cb 0.09 0.77 -0.07 0.00 0.00 0.00 0.00 19.45 20.25 2cr9 n ALA 33 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 2cr9 s HIS 34 N -2.73 0.04 0.18 0.00 -3.43 -0.87 -4.23 115.29 104.25 2cr9 s HIS 34 Ca 0.45 -0.43 -0.33 0.00 -0.80 0.00 0.00 55.06 53.95 2cr9 s HIS 34 Cb -0.04 0.03 -0.15 0.00 -1.43 0.00 0.00 32.58 31.00 2cr9 s HIS 34 CO 0.29 -0.58 1.36 0.28 -2.00 0.00 0.00 174.74 174.09 2cr9 n VAL 35 N -0.06 0.56 -2.39 -5.38 0.31 -1.26 0.41 118.33 110.52 2cr9 n VAL 35 Ca -0.16 -0.14 -0.43 0.00 -0.01 0.00 0.00 64.34 63.60 2cr9 n VAL 35 Cb 0.63 -1.18 -0.02 0.00 -0.91 0.00 0.00 33.84 32.35 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 0.49 3.80 -0.14 7.52 0.20 0.63 -4.69 118.68 126.50 2cr9 s LEU 36 Ca 0.75 1.13 -0.06 0.00 0.69 0.00 0.00 54.13 56.63 2cr9 s LEU 36 Cb -0.77 -3.54 -0.04 0.00 -0.43 0.00 0.00 46.19 41.41 2cr9 s LEU 36 CO 0.47 -1.18 0.09 -1.61 -0.29 0.00 0.00 176.35 173.83 2cr9 s GLU 37 N 4.40 3.59 0.00 1.98 2.02 -1.26 -2.28 118.70 127.15 2cr9 s GLU 37 Ca 0.58 -0.26 -0.07 0.00 0.02 0.00 0.00 54.97 55.23 2cr9 s GLU 37 Cb -0.16 -3.14 0.00 0.00 0.10 0.00 0.00 34.13 30.93 2cr9 s GLU 37 CO 0.26 0.56 0.14 0.21 0.02 0.00 0.00 175.26 176.45 2cr9 s LYS 38 N -0.42 0.49 -1.55 1.61 2.20 -0.76 -4.89 119.74 116.41 2cr9 s LYS 38 Ca 0.10 -0.39 -0.03 0.00 -0.36 0.00 0.00 55.97 55.29 2cr9 s LYS 38 Cb -0.12 0.20 0.03 0.00 -1.51 0.00 0.00 37.83 36.44 2cr9 s LYS 38 CO 0.02 -0.12 0.22 0.41 -0.36 0.00 0.00 175.35 175.53 2cr9 n GLY 39 N 1.46 -0.20 2.70 5.54 0.00 -1.26 0.19 105.19 113.62 2cr9 n GLY 39 Ca -0.23 0.16 -0.16 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.20 -0.50 3.56 -0.02 0.00 -1.26 -4.94 105.19 99.84 2cr9 n GLY 40 Ca -0.26 0.03 -0.26 0.00 0.00 0.00 0.00 46.02 45.54 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 -5.31 1.88 -0.01 1.61 -0.14 0.50 -5.15 119.74 113.11 2cr9 s LYS 41 Ca 0.12 -2.10 0.07 0.00 -1.36 0.00 0.00 55.97 52.70 2cr9 s LYS 41 Cb -0.06 -1.12 -0.02 0.00 -1.68 0.00 0.00 37.83 34.95 2cr9 s LYS 41 CO 0.15 -0.24 -0.23 0.08 -0.76 0.00 0.00 175.35 174.34 2cr9 s VAL 42 N -3.06 1.81 -0.48 3.17 1.01 -1.26 -1.83 120.40 119.75 2cr9 s VAL 42 Ca 0.28 -0.99 -0.04 0.00 0.00 0.00 0.00 61.98 61.23 2cr9 s VAL 42 Cb 0.07 -1.50 0.07 0.00 0.00 0.00 0.00 36.38 35.01 2cr9 s VAL 42 CO 0.14 0.50 2.76 0.49 0.00 0.00 0.00 175.10 178.98 2cr9 n PHE 43 N 2.49 1.63 -3.84 5.22 3.01 -0.97 -4.79 117.46 120.22 2cr9 n PHE 43 Ca -0.16 -1.96 -0.30 0.00 1.01 0.00 0.00 57.45 56.04 2cr9 n PHE 43 Cb 0.52 -1.39 -0.15 0.00 -0.01 0.00 0.00 39.48 38.45 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 0.34 4.18 -0.01 4.37 0.15 -1.26 -2.28 113.70 119.19 2cr9 s SER 44 Ca 0.59 -1.71 0.08 0.00 0.70 0.00 0.00 55.95 55.61 2cr9 s SER 44 Cb 0.38 -1.10 -0.02 0.00 -1.71 0.00 0.00 66.02 63.56 2cr9 s SER 44 CO -0.22 -0.38 -0.26 0.00 1.20 0.00 0.00 173.24 173.58 2cr9 s ALA 45 N 1.40 2.20 -0.30 5.45 0.00 -0.91 -5.04 121.76 124.57 2cr9 s ALA 45 Ca 0.08 -1.14 0.03 0.00 0.00 0.00 0.00 51.96 50.93 2cr9 s ALA 45 Cb -0.18 -0.56 0.08 0.00 0.00 0.00 0.00 23.12 22.46 2cr9 s ALA 45 CO -0.18 0.53 -0.03 0.99 0.00 0.00 0.00 175.76 177.07 2cr9 s THR 46 N -0.65 2.25 0.29 0.00 2.01 -1.26 -1.96 115.64 116.32 2cr9 s THR 46 Ca 0.10 -1.95 0.04 0.00 0.31 0.00 0.00 61.69 60.20 2cr9 s THR 46 Cb -0.10 -2.48 -0.03 0.00 0.01 0.00 0.00 72.50 69.90 2cr9 s THR 46 CO -0.00 -0.29 0.43 -0.76 -0.69 0.00 0.00 174.62 173.31 2cr9 s LEU 47 N 1.02 4.16 -0.21 4.42 1.43 0.73 -0.83 118.68 129.41 2cr9 s LEU 47 Ca 0.00 0.12 -0.19 0.00 -1.03 0.00 0.00 54.13 53.03 2cr9 s LEU 47 Cb -0.20 -2.95 0.06 0.00 0.03 0.00 0.00 46.19 43.13 2cr9 s LEU 47 CO -0.06 -0.21 0.56 -0.83 0.23 0.00 0.00 176.35 176.04 2cr9 s GLY 48 N -4.04 -0.43 -0.06 -3.19 0.00 -0.05 -1.84 107.32 97.72 2cr9 s GLY 48 Ca 0.38 1.64 -0.04 0.00 0.00 0.00 0.00 44.72 46.70 2cr9 s GLY 48 CO 0.31 1.46 0.14 -2.27 0.00 0.00 0.00 173.10 172.74 2cr9 s LEU 49 N 0.47 1.19 -0.10 0.66 2.96 -0.32 -3.30 118.68 120.23 2cr9 s LEU 49 Ca -0.01 0.27 -0.04 0.00 -0.22 0.00 0.00 54.13 54.13 2cr9 s LEU 49 Cb -0.04 0.41 0.05 0.00 0.50 0.00 0.00 46.19 47.11 2cr9 s LEU 49 CO -0.02 -0.09 0.21 0.54 -1.32 0.00 0.00 176.35 175.68 2cr9 s VAL 50 N 0.52 -0.23 0.43 1.68 0.11 -1.26 0.29 120.40 121.94 2cr9 s VAL 50 Ca -0.04 0.26 -0.22 0.00 -2.93 0.00 0.00 61.98 59.04 2cr9 s VAL 50 Cb -0.05 -0.36 -0.09 0.00 -1.53 0.00 0.00 36.38 34.35 2cr9 s VAL 50 CO -0.02 0.11 1.01 -0.62 -3.33 0.00 0.00 175.10 172.24 2cr9 s ASP 51 N 1.92 6.73 -0.08 3.54 -1.08 0.21 -4.94 116.67 122.96 2cr9 s ASP 51 Ca -0.02 1.90 0.06 0.00 -0.52 0.00 0.00 52.55 53.97 2cr9 s ASP 51 Cb -0.12 -2.57 -0.24 0.00 -1.46 0.00 0.00 42.92 38.54 2cr9 s ASP 51 CO -0.07 -0.51 0.52 0.00 0.52 0.00 0.00 175.17 175.63 2cr9 n ILE 52 N -0.42 1.66 -0.05 4.11 0.13 -1.26 -2.71 119.36 120.82 2cr9 n ILE 52 Ca 0.07 -0.75 -0.00 0.00 -1.10 0.00 0.00 62.75 60.97 2cr9 n ILE 52 Cb 0.52 -1.26 -0.00 0.00 -0.84 0.00 0.00 39.64 38.05 2cr9 n ILE 52 CO 0.00 0.00 0.00 0.58 2.80 0.00 0.00 176.55 179.93 2cr9 h VAL 53 N 0.02 0.00 0.00 9.51 2.07 -1.96 -3.28 116.25 122.61 2cr9 h VAL 53 Ca -0.35 -0.95 0.00 0.00 0.82 0.00 0.00 66.70 66.22 2cr9 h VAL 53 Cb 2.03 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.80 2cr9 h VAL 53 CO 0.08 0.00 0.00 0.29 0.02 0.00 0.00 177.57 177.96 2cr9 n LYS 54 N -4.64 0.12 -1.36 1.57 4.76 -1.26 -4.79 118.16 112.56 2cr9 n LYS 54 Ca -0.00 0.52 -0.13 0.00 -2.87 0.00 0.00 58.31 55.83 2cr9 n LYS 54 Cb 0.01 -1.82 -0.06 0.00 -1.84 0.00 0.00 35.03 31.32 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 -0.87 1.28 3.75 0.72 0.00 -1.10 -4.91 105.19 104.06 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 -2.11 5.21 -0.17 2.61 -4.23 -1.21 -4.88 115.64 110.86 2cr9 s THR 56 Ca 0.00 0.75 -0.04 0.00 -1.18 0.00 0.00 61.69 61.23 2cr9 s THR 56 Cb 0.00 -3.71 -0.02 0.00 1.34 0.00 0.00 72.50 70.10 2cr9 s THR 56 CO 0.00 0.41 -0.04 0.21 -0.54 0.00 0.00 174.62 174.67 2cr9 s ASN 57 N 0.16 4.72 0.29 3.99 3.84 -1.26 0.63 114.94 127.31 2cr9 s ASN 57 Ca 0.22 -0.18 0.09 0.00 0.21 0.00 0.00 52.86 53.20 2cr9 s ASN 57 Cb -0.15 -1.78 -0.06 0.00 -0.55 0.00 0.00 41.25 38.72 2cr9 s ASN 57 CO 0.08 0.13 -0.13 -0.44 -2.79 0.00 0.00 177.10 173.96 2cr9 s SER 58 N 0.57 3.25 -0.19 -4.21 0.01 0.84 -2.03 113.70 111.95 2cr9 s SER 58 Ca -0.03 -1.12 -0.07 0.00 1.31 0.00 0.00 55.95 56.05 2cr9 s SER 58 Cb -0.14 -0.25 0.09 0.00 0.21 0.00 0.00 66.02 65.92 2cr9 s SER 58 CO 0.03 -0.16 0.40 -0.72 0.41 0.00 0.00 173.24 173.19 2cr9 s TYR 59 N -2.74 -0.75 -0.14 2.43 -0.85 -1.17 -1.18 117.35 112.96 2cr9 s TYR 59 Ca 0.29 1.45 -0.03 0.00 -0.52 0.00 0.00 57.07 58.26 2cr9 s TYR 59 Cb 0.00 0.26 -0.03 0.00 0.38 0.00 0.00 41.96 42.57 2cr9 s TYR 59 CO 0.13 -0.46 -0.06 -0.47 -1.52 0.00 0.00 175.55 173.17 2cr9 s TYR 60 N 2.58 2.98 -0.04 -3.49 6.14 -0.77 -3.86 117.35 120.89 2cr9 s TYR 60 Ca -0.01 -0.34 0.06 0.00 0.64 0.00 0.00 57.07 57.42 2cr9 s TYR 60 Cb -0.12 -1.92 -0.01 0.00 0.42 0.00 0.00 41.96 40.33 2cr9 s TYR 60 CO -0.12 -0.04 -0.23 0.21 0.64 0.00 0.00 175.55 176.00 2cr9 s LYS 61 N 0.27 2.18 -0.05 4.97 2.36 -0.80 -0.19 119.74 128.49 2cr9 s LYS 61 Ca -0.04 -0.84 0.03 0.00 -2.55 0.00 0.00 55.97 52.57 2cr9 s LYS 61 Cb -0.14 -1.96 0.00 0.00 -1.05 0.00 0.00 37.83 34.69 2cr9 s LYS 61 CO 0.03 0.42 -0.14 -1.17 1.55 0.00 0.00 175.35 176.04 2cr9 s LEU 62 N -0.30 1.80 -0.18 5.43 2.96 -0.83 -2.18 118.68 125.39 2cr9 s LEU 62 Ca 0.02 -0.30 -0.07 0.00 -0.22 0.00 0.00 54.13 53.56 2cr9 s LEU 62 Cb -0.12 -0.83 0.08 0.00 0.50 0.00 0.00 46.19 45.82 2cr9 s LEU 62 CO 0.02 0.10 0.38 -1.10 -1.32 0.00 0.00 176.35 174.42 2cr9 s GLN 63 N 0.27 0.29 -0.54 1.98 -0.21 -1.19 -2.13 119.66 118.13 2cr9 s GLN 63 Ca -0.07 0.94 -0.18 0.00 0.02 0.00 0.00 55.36 56.07 2cr9 s GLN 63 Cb -0.12 0.21 0.09 0.00 1.00 0.00 0.00 33.01 34.18 2cr9 s GLN 63 CO 0.02 -0.25 0.58 -1.17 -2.12 0.00 0.00 175.29 172.36 2cr9 s LEU 64 N 2.41 5.48 0.22 2.90 2.96 -0.96 -2.66 118.68 129.03 2cr9 s LEU 64 Ca -0.02 -1.35 -0.19 0.00 -0.22 0.00 0.00 54.13 52.36 2cr9 s LEU 64 Cb -0.12 -2.30 -0.08 0.00 0.50 0.00 0.00 46.19 44.19 2cr9 s LEU 64 CO -0.12 -0.92 0.70 -0.76 -1.32 0.00 0.00 176.35 173.93 2cr9 s LEU 65 N 2.26 4.33 -0.10 -0.68 1.43 -1.19 0.23 118.68 124.96 2cr9 s LEU 65 Ca 0.09 1.36 0.04 0.00 -1.03 0.00 0.00 54.13 54.59 2cr9 s LEU 65 Cb -0.24 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.42 2cr9 s LEU 65 CO 0.07 0.03 -0.23 -1.83 0.23 0.00 0.00 176.35 174.62 2cr9 s GLU 66 N -2.02 2.92 0.10 1.70 -1.05 0.17 -1.89 118.70 118.62 2cr9 s GLU 66 Ca 0.43 -0.83 -0.31 0.00 -0.15 0.00 0.00 54.97 54.10 2cr9 s GLU 66 Cb -0.16 -2.22 -0.08 0.00 -0.44 0.00 0.00 34.13 31.23 2cr9 s GLU 66 CO 0.21 0.16 1.41 0.34 0.95 0.00 0.00 175.26 178.32 2cr9 s ASP 67 N 0.39 6.81 -0.58 0.83 2.15 0.44 -2.04 116.67 124.67 2cr9 s ASP 67 Ca -0.18 2.32 0.02 0.00 0.43 0.00 0.00 52.55 55.13 2cr9 s ASP 67 Cb -0.18 -2.58 0.42 0.00 -0.30 0.00 0.00 42.92 40.28 2cr9 s ASP 67 CO 0.08 -0.68 1.64 -0.67 -0.17 0.00 0.00 175.17 175.37 2cr9 n ASP 68 N 4.23 6.39 0.00 -0.34 -0.08 -1.26 -4.15 116.55 121.35 2cr9 n ASP 68 Ca 0.12 -3.78 -0.01 0.00 -1.51 0.00 0.00 54.79 49.62 2cr9 n ASP 68 Cb 0.42 -0.74 -0.00 0.00 2.34 0.00 0.00 41.12 43.14 2cr9 n ASP 68 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2cr9 n LYS 69 N -0.68 0.04 0.04 -0.67 5.02 -1.26 -5.03 118.16 115.62 2cr9 n LYS 69 Ca 0.51 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.82 2cr9 n LYS 69 Cb 0.62 -0.29 0.00 0.00 -0.02 0.00 0.00 35.03 35.34 2cr9 n LYS 69 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 2cr9 n GLU 70 N -2.81 0.00 0.00 1.97 0.28 -1.26 -5.08 120.64 113.74 2cr9 n GLU 70 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.99 2cr9 n GLU 70 Cb 0.04 -0.28 0.00 0.00 1.43 0.00 0.00 31.44 32.62 2cr9 n GLU 70 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 2cr9 n ASN 71 N -3.11 0.00 -3.89 -1.84 6.94 -1.26 -5.14 115.26 106.96 2cr9 n ASN 71 Ca 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 54.58 54.47 2cr9 n ASN 71 Cb 0.16 0.00 -0.05 0.00 -2.36 0.00 0.00 39.78 37.52 2cr9 n ASN 71 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 2cr9 s ARG 72 N 0.00 1.37 0.07 -3.83 0.52 -1.26 -5.01 118.95 110.81 2cr9 s ARG 72 Ca 0.00 -1.08 -0.17 0.00 -0.52 0.00 0.00 55.73 53.95 2cr9 s ARG 72 Cb 0.00 0.46 0.04 0.00 0.52 0.00 0.00 34.95 35.97 2cr9 s ARG 72 CO 0.00 -0.55 0.41 0.71 0.02 0.00 0.00 175.30 175.88 2cr9 s TYR 73 N -3.95 -0.24 0.27 -0.53 1.51 -1.26 0.17 117.35 113.31 2cr9 s TYR 73 Ca 0.16 0.10 0.05 0.00 -1.01 0.00 0.00 57.07 56.36 2cr9 s TYR 73 Cb 0.00 0.23 -0.06 0.00 -0.11 0.00 0.00 41.96 42.03 2cr9 s TYR 73 CO 0.02 -0.62 -0.02 -1.58 -1.11 0.00 0.00 175.55 172.24 2cr9 s TRP 74 N -2.98 1.80 -0.29 2.71 0.51 -0.79 0.67 118.94 120.57 2cr9 s TRP 74 Ca -0.02 -0.83 0.01 0.00 -2.12 0.00 0.00 56.10 53.14 2cr9 s TRP 74 Cb 0.00 -1.07 0.09 0.00 -0.81 0.00 0.00 33.47 31.69 2cr9 s TRP 74 CO -0.06 0.11 0.05 0.42 -0.51 0.00 0.00 176.95 176.96 2cr9 s ILE 75 N -3.22 1.38 -0.03 2.03 -1.09 0.61 -3.20 121.20 117.69 2cr9 s ILE 75 Ca 0.30 -1.57 -0.18 0.00 -2.23 0.00 0.00 60.65 56.97 2cr9 s ILE 75 Cb 0.05 -1.94 -0.05 0.00 -1.58 0.00 0.00 42.46 38.94 2cr9 s ILE 75 CO 0.11 -0.50 0.50 0.12 -1.23 0.00 0.00 174.94 173.94 2cr9 s PHE 76 N 1.39 3.66 -0.13 3.97 5.36 -1.09 -3.26 117.98 127.88 2cr9 s PHE 76 Ca 0.06 1.05 -0.04 0.00 -0.96 0.00 0.00 56.93 57.04 2cr9 s PHE 76 Cb -0.18 -2.49 0.06 0.00 -0.34 0.00 0.00 43.02 40.07 2cr9 s PHE 76 CO -0.15 0.40 0.15 1.03 -1.46 0.00 0.00 175.22 175.19 2cr9 s ARG 77 N -0.29 0.07 -0.03 10.12 0.52 -0.73 -3.20 118.95 125.41 2cr9 s ARG 77 Ca 0.27 0.29 0.01 0.00 -0.52 0.00 0.00 55.73 55.78 2cr9 s ARG 77 Cb -0.17 -0.93 -0.03 0.00 0.52 0.00 0.00 34.95 34.33 2cr9 s ARG 77 CO 0.14 -0.49 -0.03 -1.54 0.02 0.00 0.00 175.30 173.40 2cr9 s SER 78 N 2.25 4.94 0.21 0.23 1.04 -0.92 -0.69 113.70 120.76 2cr9 s SER 78 Ca 0.04 -0.00 -0.17 0.00 0.48 0.00 0.00 55.95 56.29 2cr9 s SER 78 Cb -0.14 -1.28 0.02 0.00 0.10 0.00 0.00 66.02 64.72 2cr9 s SER 78 CO -0.08 0.32 0.54 -1.66 0.98 0.00 0.00 173.24 173.34 2cr9 s TRP 79 N -0.96 -0.05 0.00 5.02 -2.14 -0.97 -1.91 118.94 117.92 2cr9 s TRP 79 Ca 0.16 -0.31 0.00 0.00 2.66 0.00 0.00 56.10 58.61 2cr9 s TRP 79 Cb -0.11 0.40 0.00 0.00 -3.10 0.00 0.00 33.47 30.65 2cr9 s TRP 79 CO 0.06 -0.96 0.00 0.41 -2.66 0.00 0.00 176.95 173.80 2cr9 n GLY 80 N -0.36 4.15 3.36 3.67 0.00 -1.25 -2.75 105.19 112.01 2cr9 n GLY 80 Ca -0.08 -1.60 -0.29 0.00 0.00 0.00 0.00 46.02 44.05 2cr9 n GLY 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cr9 n ARG 81 N -1.77 -3.27 -3.26 1.61 1.74 -1.26 -3.01 116.66 107.44 2cr9 n ARG 81 Ca 0.00 -0.94 -0.41 0.00 -0.77 0.00 0.00 57.85 55.73 2cr9 n ARG 81 Cb 0.00 -2.04 -0.08 0.00 -1.02 0.00 0.00 32.46 29.32 2cr9 n ARG 81 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2cr9 s VAL 82 N -2.29 5.04 -0.53 1.55 1.01 -0.86 -4.52 120.40 119.80 2cr9 s VAL 82 Ca 0.67 0.39 -0.18 0.00 0.00 0.00 0.00 61.98 62.86 2cr9 s VAL 82 Cb -0.21 -3.92 0.03 0.00 0.00 0.00 0.00 36.38 32.28 2cr9 s VAL 82 CO 0.63 -0.15 0.64 0.61 0.00 0.00 0.00 175.10 176.83 2cr9 n GLY 83 N 4.76 -0.89 0.00 4.51 0.00 -1.26 -4.99 105.19 107.31 2cr9 n GLY 83 Ca -0.05 1.03 0.00 0.00 0.00 0.00 0.00 46.02 47.00 2cr9 n GLY 83 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2cr9 n THR 84 N -0.79 0.00 0.61 2.61 -2.24 -1.26 -5.01 114.28 108.20 2cr9 n THR 84 Ca -0.01 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.90 2cr9 n THR 84 Cb 0.56 0.00 0.43 0.00 -2.10 0.00 0.00 70.33 69.22 2cr9 n THR 84 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2cr9 n VAL 85 N 0.00 0.60 -1.67 2.28 0.31 -1.26 -4.81 118.33 113.77 2cr9 n VAL 85 Ca 0.00 -0.19 -0.30 0.00 -0.01 0.00 0.00 64.34 63.84 2cr9 n VAL 85 Cb 0.00 -0.67 0.08 0.00 -0.91 0.00 0.00 33.84 32.35 2cr9 n VAL 85 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 2cr9 s ILE 86 N -3.13 2.96 0.00 2.52 1.01 -1.26 -5.03 121.20 118.28 2cr9 s ILE 86 Ca 0.10 0.31 0.00 0.00 0.00 0.00 0.00 60.65 61.06 2cr9 s ILE 86 Cb 0.12 -3.15 0.00 0.00 0.01 0.00 0.00 42.46 39.44 2cr9 s ILE 86 CO 0.56 -0.41 0.00 0.61 0.00 0.00 0.00 174.94 175.70 2cr9 n GLY 87 N -2.47 1.63 3.11 6.18 0.00 -1.26 -4.77 105.19 107.61 2cr9 n GLY 87 Ca 0.07 0.11 -0.10 0.00 0.00 0.00 0.00 46.02 46.10 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 0.13 0.13 1.61 0.01 -1.11 -5.07 113.70 109.40 2cr9 s SER 88 Ca 0.00 -0.44 0.01 0.00 1.31 0.00 0.00 55.95 56.84 2cr9 s SER 88 Cb 0.00 0.22 -0.04 0.00 0.21 0.00 0.00 66.02 66.40 2cr9 s SER 88 CO 0.00 -0.46 -0.02 0.54 0.41 0.00 0.00 173.24 173.71 2cr9 s ASN 89 N -1.88 1.03 -0.04 2.44 4.22 -1.26 -2.30 114.94 117.15 2cr9 s ASN 89 Ca -0.08 -1.10 0.04 0.00 -2.14 0.00 0.00 52.86 49.58 2cr9 s ASN 89 Cb -0.03 0.14 -0.00 0.00 1.28 0.00 0.00 41.25 42.63 2cr9 s ASN 89 CO -0.03 -0.55 -0.14 -0.75 -2.04 0.00 0.00 177.10 173.59 2cr9 s LYS 90 N -3.90 1.47 -0.11 3.55 2.47 0.14 -4.96 119.74 118.40 2cr9 s LYS 90 Ca 0.18 -0.50 -0.02 0.00 -1.56 0.00 0.00 55.97 54.07 2cr9 s LYS 90 Cb 0.06 -1.30 0.04 0.00 -1.46 0.00 0.00 37.83 35.16 2cr9 s LYS 90 CO -0.01 0.20 0.01 -1.17 0.16 0.00 0.00 175.35 174.55 2cr9 s LEU 91 N 0.08 0.74 0.01 5.43 2.96 -1.26 -1.77 118.68 124.86 2cr9 s LEU 91 Ca -0.03 -0.30 0.01 0.00 -0.22 0.00 0.00 54.13 53.59 2cr9 s LEU 91 Cb -0.10 -0.48 -0.01 0.00 0.50 0.00 0.00 46.19 46.10 2cr9 s LEU 91 CO 0.01 -0.23 -0.04 -1.61 -1.32 0.00 0.00 176.35 173.16 2cr9 s GLU 92 N 1.95 0.32 0.09 1.98 2.02 -1.20 -4.95 118.70 118.91 2cr9 s GLU 92 Ca 0.03 -0.26 -0.24 0.00 0.02 0.00 0.00 54.97 54.52 2cr9 s GLU 92 Cb -0.14 -0.25 -0.07 0.00 0.10 0.00 0.00 34.13 33.78 2cr9 s GLU 92 CO -0.06 0.06 0.74 -1.14 0.02 0.00 0.00 175.26 174.88 2cr9 s GLN 93 N -0.41 4.49 0.15 1.61 0.74 -1.26 -0.28 119.66 124.70 2cr9 s GLN 93 Ca -0.02 1.05 -0.02 0.00 0.05 0.00 0.00 55.36 56.42 2cr9 s GLN 93 Cb -0.03 -3.31 -0.05 0.00 1.10 0.00 0.00 33.01 30.72 2cr9 s GLN 93 CO -0.00 0.43 0.35 -1.64 -0.55 0.00 0.00 175.29 173.89 2cr9 s MET 94 N -0.58 3.55 -0.08 1.67 -1.94 0.21 -4.95 119.30 117.19 2cr9 s MET 94 Ca 0.36 -0.24 -0.22 0.00 -1.71 0.00 0.00 55.69 53.88 2cr9 s MET 94 Cb -0.21 -2.88 -0.18 0.00 2.01 0.00 0.00 34.83 33.58 2cr9 s MET 94 CO 0.23 0.46 0.82 -1.00 -0.01 0.00 0.00 175.02 175.52 2cr9 h PRO 95 N 2.55 -0.10 -6.30 2.03 0.13 -1.93 -3.37 132.00 125.00 2cr9 h PRO 95 Ca -0.47 0.01 -0.59 0.00 -0.87 0.00 0.00 66.00 64.08 2cr9 h PRO 95 Cb 1.17 0.02 -0.23 0.00 0.13 0.00 0.00 31.00 32.10 2cr9 h PRO 95 CO 0.71 0.45 -0.84 0.45 -0.23 0.00 0.00 178.00 178.55 2cr9 s SER 96 N -5.72 2.69 0.28 1.44 0.15 -1.26 -4.94 113.70 106.34 2cr9 s SER 96 Ca -0.14 -0.66 0.00 0.00 0.70 0.00 0.00 55.95 55.85 2cr9 s SER 96 Cb -0.00 -0.17 0.65 0.00 -1.71 0.00 0.00 66.02 64.79 2cr9 s SER 96 CO 0.52 0.11 1.65 0.50 1.20 0.00 0.00 173.24 177.21 2cr9 h LYS 97 N 4.22 0.20 0.53 5.44 3.64 -1.95 0.79 116.57 129.45 2cr9 h LYS 97 Ca -0.46 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 58.88 2cr9 h LYS 97 Cb 1.17 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.94 2cr9 h LYS 97 CO 0.40 0.13 -0.32 0.93 -2.27 0.00 0.00 179.45 178.32 2cr9 h GLU 98 N 0.21 -0.78 -1.10 1.90 5.08 -1.98 0.79 114.58 118.70 2cr9 h GLU 98 Ca 0.52 0.05 0.32 0.00 -1.00 0.00 0.00 59.36 59.25 2cr9 h GLU 98 Cb 1.02 0.18 -0.04 0.00 0.50 0.00 0.00 28.75 30.41 2cr9 h GLU 98 CO -0.64 -0.52 0.92 -0.44 -1.00 0.00 0.00 179.01 177.33 2cr9 h ASP 99 N -0.81 0.00 0.23 1.42 3.32 -1.29 1.75 116.42 121.03 2cr9 h ASP 99 Ca -0.06 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.67 2cr9 h ASP 99 Cb 0.66 0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.24 2cr9 h ASP 99 CO 0.07 0.00 -1.41 0.00 -1.72 0.00 0.00 179.24 176.18 2cr9 h ALA 100 N 1.19 -0.11 0.09 3.45 0.00 -0.06 -2.92 119.26 120.89 2cr9 h ALA 100 Ca 0.52 -0.87 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 2cr9 h ALA 100 Cb 2.36 0.21 0.00 0.00 0.00 0.00 0.00 17.79 20.36 2cr9 h ALA 100 CO -0.01 0.68 -0.04 0.82 0.00 0.00 0.00 179.25 180.70 2cr9 h ILE 101 N 0.05 1.13 -0.44 0.00 2.04 0.43 -0.50 117.51 120.22 2cr9 h ILE 101 Ca -0.25 -0.93 0.09 0.00 1.00 0.00 0.00 64.86 64.77 2cr9 h ILE 101 Cb 2.07 1.72 -0.09 0.00 -0.74 0.00 0.00 36.82 39.77 2cr9 h ILE 101 CO 0.24 0.22 -0.24 -0.33 0.00 0.00 0.00 178.15 178.05 2cr9 h GLU 102 N -0.56 -0.14 -0.13 2.37 5.08 0.11 1.54 114.58 122.86 2cr9 h GLU 102 Ca -0.01 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2cr9 h GLU 102 Cb 0.46 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 2cr9 h GLU 102 CO 0.02 -0.09 0.08 1.25 -1.00 0.00 0.00 179.01 179.26 2cr9 h HIS 103 N -0.15 0.14 0.00 4.33 2.76 -1.52 0.95 115.15 121.66 2cr9 h HIS 103 Ca 0.21 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.36 2cr9 h HIS 103 Cb 0.47 -0.05 -0.00 0.00 1.55 0.00 0.00 27.41 29.38 2cr9 h HIS 103 CO -0.49 0.09 -0.09 0.35 -1.30 0.00 0.00 177.93 176.49 2cr9 h PHE 104 N 0.16 0.00 0.12 5.26 3.57 0.44 1.28 116.94 127.77 2cr9 h PHE 104 Ca 0.05 0.00 -0.30 0.00 3.53 0.00 0.00 57.97 61.25 2cr9 h PHE 104 Cb -0.01 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.72 2cr9 h PHE 104 CO -0.08 0.09 -1.48 0.52 -2.23 0.00 0.00 178.31 175.13 2cr9 h MET 105 N 0.00 0.26 0.11 1.11 2.86 0.32 -3.11 114.93 116.47 2cr9 h MET 105 Ca -0.00 -0.44 -0.21 0.00 -2.06 0.00 0.00 59.70 56.99 2cr9 h MET 105 Cb 0.19 0.16 0.02 0.00 0.06 0.00 0.00 31.60 32.04 2cr9 h MET 105 CO 0.01 1.13 -0.89 -0.22 1.06 0.00 0.00 176.91 178.00 2cr9 h LYS 106 N 0.07 0.41 0.13 1.72 3.64 0.15 -2.92 116.57 119.76 2cr9 h LYS 106 Ca -0.23 -0.59 0.02 0.00 -1.27 0.00 0.00 60.65 58.58 2cr9 h LYS 106 Cb 2.01 0.20 -0.05 0.00 -0.41 0.00 0.00 32.23 33.99 2cr9 h LYS 106 CO 0.17 1.25 -0.46 -0.07 -2.27 0.00 0.00 179.45 178.07 2cr9 h LEU 107 N -0.14 -1.36 -0.06 5.20 3.38 0.15 0.50 115.31 122.98 2cr9 h LEU 107 Ca -0.14 0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2cr9 h LEU 107 Cb 1.65 0.51 0.00 0.00 0.09 0.00 0.00 40.66 42.91 2cr9 h LEU 107 CO 0.17 -0.52 0.00 0.00 0.09 0.00 0.00 178.44 178.18 2cr9 n TYR 108 N -5.48 0.04 0.06 1.13 4.19 -1.18 -0.53 117.16 115.40 2cr9 n TYR 108 Ca -0.08 0.02 0.11 0.00 3.31 0.00 0.00 57.90 61.26 2cr9 n TYR 108 Cb 0.39 -0.53 -0.06 0.00 0.49 0.00 0.00 39.34 39.64 2cr9 n TYR 108 CO 0.00 0.00 0.00 -1.91 0.91 0.00 0.00 176.86 175.86 2cr9 n GLU 109 N -1.54 0.62 0.04 2.98 2.13 0.14 -3.39 120.64 121.63 2cr9 n GLU 109 Ca 0.01 0.02 -0.21 0.00 0.66 0.00 0.00 57.16 57.64 2cr9 n GLU 109 Cb 0.06 -1.72 -0.14 0.00 0.27 0.00 0.00 31.44 29.90 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 0.31 0.43 5.31 4.11 0.22 0.14 114.58 125.09 2cr9 h GLU 110 Ca -0.01 -0.52 -0.02 0.00 0.07 0.00 0.00 59.36 58.88 2cr9 h GLU 110 Cb 1.02 0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.47 2cr9 h GLU 110 CO 0.00 1.25 -0.20 0.87 0.07 0.00 0.00 179.01 181.00 2cr9 h LYS 111 N -0.29 -0.55 -0.27 1.06 1.79 -1.63 -3.24 116.57 113.44 2cr9 h LYS 111 Ca -0.22 0.04 -0.11 0.00 -2.18 0.00 0.00 60.65 58.19 2cr9 h LYS 111 Cb 1.75 0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 32.51 2cr9 h LYS 111 CO 0.13 -0.37 -0.28 1.79 -1.08 0.00 0.00 179.45 179.65 2cr9 h THR 112 N -0.69 1.27 0.00 -0.16 1.35 -1.65 -1.79 112.91 111.25 2cr9 h THR 112 Ca -0.06 -1.34 0.00 0.00 -0.55 0.00 0.00 66.41 64.46 2cr9 h THR 112 Cb 0.44 1.37 0.00 0.00 -1.73 0.00 0.00 68.15 68.23 2cr9 h THR 112 CO 0.10 0.43 0.00 0.61 -0.25 0.00 0.00 175.52 176.40 2cr9 n GLY 113 N -0.29 3.32 3.91 5.82 0.00 0.49 -4.49 105.19 113.95 2cr9 n GLY 113 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.67 6.38 0.58 1.61 0.01 -1.19 -4.80 114.94 116.86 2cr9 s ASN 114 Ca 0.00 0.33 -0.20 0.00 -0.71 0.00 0.00 52.86 52.28 2cr9 s ASN 114 Cb 0.00 -1.99 -0.04 0.00 0.41 0.00 0.00 41.25 39.64 2cr9 s ASN 114 CO 0.00 0.17 1.32 0.00 -1.51 0.00 0.00 177.10 177.08 2cr9 s ALA 115 N -1.50 2.65 0.09 0.60 0.00 -1.26 -4.04 121.76 118.30 2cr9 s ALA 115 Ca 0.35 1.26 -0.33 0.00 0.00 0.00 0.00 51.96 53.23 2cr9 s ALA 115 Cb -0.13 -3.55 -0.16 0.00 0.00 0.00 0.00 23.12 19.29 2cr9 s ALA 115 CO 0.26 -1.41 1.60 2.35 0.00 0.00 0.00 175.76 178.55 2cr9 h TRP 116 N 1.12 -1.09 -1.24 0.00 2.91 -1.86 -3.00 115.95 112.79 2cr9 h TRP 116 Ca -0.51 -0.00 -0.75 0.00 1.13 0.00 0.00 58.89 58.76 2cr9 h TRP 116 Cb 1.31 0.41 -0.14 0.00 -0.51 0.00 0.00 29.16 30.23 2cr9 h TRP 116 CO 0.45 -0.58 2.20 0.72 -1.03 0.00 0.00 178.44 180.20 2cr9 n HIS 117 N -5.52 2.86 -4.18 2.65 8.25 -1.26 -4.91 115.22 113.11 2cr9 n HIS 117 Ca -0.12 -2.81 -0.14 0.00 -0.26 0.00 0.00 57.72 54.40 2cr9 n HIS 117 Cb 0.41 -1.96 -0.11 0.00 1.12 0.00 0.00 29.99 29.45 2cr9 n HIS 117 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2cr9 s SER 118 N 0.87 1.45 0.17 0.41 0.15 -1.13 -5.16 113.70 110.46 2cr9 s SER 118 Ca 0.43 -0.86 0.04 0.00 0.70 0.00 0.00 55.95 56.26 2cr9 s SER 118 Cb 0.12 0.02 -0.04 0.00 -1.71 0.00 0.00 66.02 64.41 2cr9 s SER 118 CO -0.02 -0.30 0.23 -0.75 1.20 0.00 0.00 173.24 173.60 2cr9 s LYS 119 N -3.03 3.20 0.31 5.44 2.20 -1.26 -4.94 119.74 121.67 2cr9 s LYS 119 Ca 0.07 -0.74 0.00 0.00 -0.36 0.00 0.00 55.97 54.94 2cr9 s LYS 119 Cb -0.01 -2.81 0.00 0.00 -1.51 0.00 0.00 37.83 33.50 2cr9 s LYS 119 CO -0.00 0.49 0.00 -1.71 -0.36 0.00 0.00 175.35 173.77 2cr9 n ASN 120 N -0.57 -8.66 -4.16 1.43 5.15 -1.26 -4.98 115.26 102.22 2cr9 n ASN 120 Ca -0.08 1.22 -0.33 0.00 -0.60 0.00 0.00 54.58 54.80 2cr9 n ASN 120 Cb 0.55 -4.51 -0.16 0.00 -0.53 0.00 0.00 39.78 35.13 2cr9 n ASN 120 CO 0.00 0.00 0.00 0.12 1.40 0.00 0.00 177.26 178.78 2cr9 s PHE 121 N -1.62 2.75 -0.31 1.20 5.36 -1.26 -5.05 117.98 119.05 2cr9 s PHE 121 Ca 0.00 -1.47 -0.11 0.00 -0.96 0.00 0.00 56.93 54.39 2cr9 s PHE 121 Cb 0.00 -1.89 -0.02 0.00 -0.34 0.00 0.00 43.02 40.77 2cr9 s PHE 121 CO 0.00 -0.71 0.18 0.99 -1.46 0.00 0.00 175.22 174.23 2cr9 s THR 122 N 1.11 4.94 -0.81 0.12 2.01 -1.26 -5.01 115.64 116.74 2cr9 s THR 122 Ca 0.00 -0.23 -0.25 0.00 0.31 0.00 0.00 61.69 61.52 2cr9 s THR 122 Cb -0.14 -3.48 -0.04 0.00 0.01 0.00 0.00 72.50 68.84 2cr9 s THR 122 CO -0.08 0.09 1.94 -0.75 -0.69 0.00 0.00 174.62 175.13 2cr9 s LYS 123 N 1.68 2.54 0.65 4.92 2.36 -1.26 -4.95 119.74 125.69 2cr9 s LYS 123 Ca 0.06 0.02 -0.06 0.00 -2.55 0.00 0.00 55.97 53.43 2cr9 s LYS 123 Cb -0.17 -4.85 0.04 0.00 -1.05 0.00 0.00 37.83 31.80 2cr9 s LYS 123 CO 0.08 -3.22 0.96 0.71 1.55 0.00 0.00 175.35 175.44 2cr9 s TYR 124 N 9.95 3.06 -0.11 4.03 2.02 -1.26 -5.02 117.35 130.01 2cr9 s TYR 124 Ca 0.70 0.52 -0.30 0.00 -0.37 0.00 0.00 57.07 57.63 2cr9 s TYR 124 Cb -0.09 -3.00 -0.02 0.00 -0.40 0.00 0.00 41.96 38.45 2cr9 s TYR 124 CO 0.06 -1.16 1.25 -1.25 -1.57 0.00 0.00 175.55 172.88 2cr9 s PRO 125 N -5.13 4.29 0.00 -1.71 0.04 -1.26 -3.29 135.00 127.93 2cr9 s PRO 125 Ca 0.58 1.69 0.00 0.00 0.04 0.00 0.00 61.00 63.30 2cr9 s PRO 125 Cb -0.11 -3.67 0.00 0.00 0.04 0.00 0.00 34.50 30.77 2cr9 s PRO 125 CO 0.45 -0.59 0.00 1.63 0.04 0.00 0.00 177.00 178.53 2cr9 n LYS 126 N 5.93 0.00 -1.53 4.56 5.02 -1.26 -4.97 118.16 125.91 2cr9 n LYS 126 Ca 0.13 0.00 -0.50 0.00 -2.02 0.00 0.00 58.31 55.91 2cr9 n LYS 126 Cb 0.45 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.42 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 0.72 -2.90 1.97 4.76 -1.21 -4.91 118.16 116.59 2cr9 n LYS 127 Ca 0.00 0.26 -0.32 0.00 -2.87 0.00 0.00 58.31 55.37 2cr9 n LYS 127 Cb 0.00 -1.64 -0.06 0.00 -1.84 0.00 0.00 35.03 31.49 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 3.36 0.30 2.13 0.40 -0.67 -4.70 117.98 118.41 2cr9 s PHE 128 Ca 0.73 1.38 0.07 0.00 -0.60 0.00 0.00 56.93 58.52 2cr9 s PHE 128 Cb -0.93 -2.68 -0.06 0.00 0.51 0.00 0.00 43.02 39.86 2cr9 s PHE 128 CO 0.54 -0.06 -0.07 1.52 0.70 0.00 0.00 175.22 177.86 2cr9 s TYR 129 N -2.17 2.08 -0.11 0.36 -0.85 -1.21 -3.80 117.35 111.66 2cr9 s TYR 129 Ca 0.58 -0.64 -0.30 0.00 -0.52 0.00 0.00 57.07 56.19 2cr9 s TYR 129 Cb -0.10 -1.19 -0.02 0.00 0.38 0.00 0.00 41.96 41.03 2cr9 s TYR 129 CO 0.18 0.37 1.25 -1.25 -1.52 0.00 0.00 175.55 174.58 2cr9 s PRO 130 N -3.69 4.28 0.00 -3.49 0.04 -1.26 -0.87 135.00 130.01 2cr9 s PRO 130 Ca 0.30 1.69 0.00 0.00 0.04 0.00 0.00 61.00 63.03 2cr9 s PRO 130 Cb 0.03 -3.67 0.00 0.00 0.04 0.00 0.00 34.50 30.90 2cr9 s PRO 130 CO 0.13 -0.59 0.16 1.28 0.04 0.00 0.00 177.00 178.02 2cr9 n LEU 131 N 5.96 1.62 -4.56 -3.56 4.77 -0.01 -4.59 117.00 116.63 2cr9 n LEU 131 Ca 0.13 0.16 -0.41 0.00 -0.03 0.00 0.00 56.01 55.86 2cr9 n LEU 131 Cb 0.45 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.51 2cr9 n LEU 131 CO 0.56 0.00 1.28 -0.70 -1.33 0.00 0.00 177.39 177.20 2cr9 s GLU 132 N -0.33 3.13 -0.16 3.23 2.12 -1.26 -4.98 118.70 120.46 2cr9 s GLU 132 Ca 0.00 0.18 -0.12 0.00 0.36 0.00 0.00 54.97 55.39 2cr9 s GLU 132 Cb 0.00 -4.19 -0.05 0.00 0.26 0.00 0.00 34.13 30.15 2cr9 s GLU 132 CO 0.00 -2.17 0.25 0.42 -0.54 0.00 0.00 175.26 173.21 2cr9 s ILE 133 N 6.47 5.33 -0.25 -3.70 1.01 -1.26 -4.89 121.20 123.91 2cr9 s ILE 133 Ca 0.48 0.45 -0.22 0.00 0.00 0.00 0.00 60.65 61.35 2cr9 s ILE 133 Cb -0.10 -3.58 0.06 0.00 0.01 0.00 0.00 42.46 38.86 2cr9 s ILE 133 CO 0.20 0.43 0.65 -0.55 0.00 0.00 0.00 174.94 175.68 2cr9 s SER 134 N 0.21 -0.69 0.00 3.58 0.15 -1.26 -5.11 113.70 110.58 2cr9 s SER 134 Ca 0.15 1.32 0.00 0.00 0.70 0.00 0.00 55.95 58.12 2cr9 s SER 134 Cb -0.13 1.33 0.00 0.00 -1.71 0.00 0.00 66.02 65.52 2cr9 s SER 134 CO 0.03 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 174.85 2cr9 n GLY 135 N 2.80 -2.01 3.81 9.45 0.00 -1.26 -5.04 105.19 112.93 2cr9 n GLY 135 Ca -0.14 -2.20 -0.30 0.00 0.00 0.00 0.00 46.02 43.38 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 -0.84 2.32 0.34 1.61 0.04 -1.26 -4.87 135.00 132.34 2cr9 s PRO 136 Ca 0.00 0.73 0.00 0.00 0.04 0.00 0.00 61.00 61.77 2cr9 s PRO 136 Cb 0.00 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.60 2cr9 s PRO 136 CO 0.00 -1.48 0.00 0.45 0.04 0.00 0.00 177.00 176.01 2cr9 n SER 137 N -3.35 -5.75 -1.40 6.66 2.88 -1.26 -5.00 113.62 106.40 2cr9 n SER 137 Ca 0.07 0.84 0.16 0.00 -1.33 0.00 0.00 58.87 58.62 2cr9 n SER 137 Cb 0.55 -2.70 -0.09 0.00 -0.75 0.00 0.00 64.21 61.23 2cr9 n SER 137 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2cr9 n SER 138 N -1.11 -7.47 0.00 -3.46 2.88 -1.26 -4.98 113.62 98.23 2cr9 n SER 138 Ca 0.00 1.30 0.00 0.00 -1.33 0.00 0.00 58.87 58.84 2cr9 n SER 138 Cb 0.04 -4.74 0.00 0.00 -0.75 0.00 0.00 64.21 58.76 2cr9 n SER 138 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42