#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cr9 s SER 2 N 0.00 -0.19 0.22 1.61 0.15 -1.26 -5.19 113.70 109.05 2cr9 s SER 2 Ca 0.00 -0.75 -0.23 0.00 0.70 0.00 0.00 55.95 55.68 2cr9 s SER 2 Cb 0.00 0.67 0.04 0.00 -1.71 0.00 0.00 66.02 65.02 2cr9 s SER 2 CO 0.00 -1.25 0.84 -0.44 1.20 0.00 0.00 173.24 173.58 2cr9 s SER 3 N -2.96 -0.21 0.00 5.45 0.01 -1.26 -5.06 113.70 109.67 2cr9 s SER 3 Ca 0.16 -0.54 0.00 0.00 1.31 0.00 0.00 55.95 56.88 2cr9 s SER 3 Cb -0.04 0.62 0.00 0.00 0.21 0.00 0.00 66.02 66.81 2cr9 s SER 3 CO 0.08 -1.15 0.00 0.61 0.41 0.00 0.00 173.24 173.19 2cr9 n GLY 4 N -0.47 0.74 5.00 3.44 0.00 -1.26 -5.02 105.19 107.62 2cr9 n GLY 4 Ca -0.05 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 0.00 -3.75 1.61 2.88 -1.26 -4.76 113.62 108.35 2cr9 n SER 5 Ca 0.00 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.58 2cr9 n SER 5 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2cr9 n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2cr9 s SER 6 N 0.00 -0.00 0.00 -3.46 1.04 -1.26 -5.16 113.70 104.85 2cr9 s SER 6 Ca 0.00 -0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.42 2cr9 s SER 6 Cb 0.00 0.01 0.00 0.00 0.10 0.00 0.00 66.02 66.13 2cr9 s SER 6 CO 0.00 -0.01 0.00 0.61 0.98 0.00 0.00 173.24 174.82 2cr9 n GLY 7 N -0.70 -0.43 1.28 7.32 0.00 -1.26 -5.17 105.19 106.23 2cr9 n GLY 7 Ca -0.03 0.25 0.16 0.00 0.00 0.00 0.00 46.02 46.39 2cr9 n GLY 7 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2cr9 n LYS 8 N 0.00 -2.87 -4.03 1.61 4.01 -1.26 -5.05 118.16 110.58 2cr9 n LYS 8 Ca 0.00 2.25 -0.11 0.00 -0.51 0.00 0.00 58.31 59.94 2cr9 n LYS 8 Cb 0.00 -3.39 -0.04 0.00 -0.51 0.00 0.00 35.03 31.09 2cr9 n LYS 8 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 2cr9 s SER 9 N -6.95 0.28 -0.13 4.39 0.15 -1.26 -5.16 113.70 105.03 2cr9 s SER 9 Ca 0.00 -1.17 -0.04 0.00 0.70 0.00 0.00 55.95 55.44 2cr9 s SER 9 Cb 0.00 0.62 0.06 0.00 -1.71 0.00 0.00 66.02 65.00 2cr9 s SER 9 CO 0.00 -1.23 0.21 -1.83 1.20 0.00 0.00 173.24 171.59 2cr9 s GLU 10 N -3.54 0.11 0.24 5.44 -1.05 -1.26 -5.15 118.70 113.48 2cr9 s GLU 10 Ca 0.26 0.54 0.01 0.00 -0.15 0.00 0.00 54.97 55.63 2cr9 s GLU 10 Cb -0.01 -0.42 0.01 0.00 -0.44 0.00 0.00 34.13 33.28 2cr9 s GLU 10 CO 0.13 -0.38 0.12 1.63 0.95 0.00 0.00 175.26 177.71 2cr9 n LYS 11 N 5.33 1.24 -4.02 -4.83 4.76 -1.26 -5.14 118.16 114.24 2cr9 n LYS 11 Ca -0.05 -1.56 -0.21 0.00 -2.87 0.00 0.00 58.31 53.62 2cr9 n LYS 11 Cb 0.50 0.26 -0.17 0.00 -1.84 0.00 0.00 35.03 33.78 2cr9 n LYS 11 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 2cr9 s ARG 12 N -2.93 0.73 -0.02 1.97 3.00 -1.26 -5.14 118.95 115.30 2cr9 s ARG 12 Ca 0.09 -0.03 -0.13 0.00 0.00 0.00 0.00 55.73 55.66 2cr9 s ARG 12 Cb -0.01 -0.85 0.02 0.00 0.00 0.00 0.00 34.95 34.11 2cr9 s ARG 12 CO 0.06 -0.15 0.28 -1.64 0.00 0.00 0.00 175.30 173.84 2cr9 s MET 13 N 1.24 0.62 -0.02 3.54 -1.94 -1.26 -5.16 119.30 116.32 2cr9 s MET 13 Ca -0.06 -0.20 0.01 0.00 -1.71 0.00 0.00 55.69 53.73 2cr9 s MET 13 Cb -0.14 0.27 0.01 0.00 2.01 0.00 0.00 34.83 36.98 2cr9 s MET 13 CO -0.02 -0.16 -0.03 0.15 -0.01 0.00 0.00 175.02 174.95 2cr9 s LYS 14 N -1.26 0.39 0.38 2.03 3.01 -1.26 -5.14 119.74 117.90 2cr9 s LYS 14 Ca -0.13 -0.08 -0.12 0.00 -1.01 0.00 0.00 55.97 54.63 2cr9 s LYS 14 Cb -0.05 -0.44 0.04 0.00 -1.01 0.00 0.00 37.83 36.37 2cr9 s LYS 14 CO 0.04 0.01 0.72 -0.51 0.51 0.00 0.00 175.35 176.11 2cr9 s LEU 15 N 0.34 0.29 0.19 3.17 1.43 -1.26 -5.19 118.68 117.64 2cr9 s LEU 15 Ca -0.03 -1.27 -0.15 0.00 -1.03 0.00 0.00 54.13 51.65 2cr9 s LEU 15 Cb -0.07 2.51 0.02 0.00 0.03 0.00 0.00 46.19 48.68 2cr9 s LEU 15 CO -0.01 -1.62 0.45 0.28 0.23 0.00 0.00 176.35 175.69 2cr9 s THR 16 N -2.39 0.04 0.38 5.49 -1.32 -1.26 -5.18 115.64 111.40 2cr9 s THR 16 Ca 0.20 -0.99 -0.09 0.00 -1.21 0.00 0.00 61.69 59.60 2cr9 s THR 16 Cb -0.04 -1.68 0.03 0.00 -1.51 0.00 0.00 72.50 69.31 2cr9 s THR 16 CO 0.14 -0.17 0.66 -0.22 -2.21 0.00 0.00 174.62 172.82 2cr9 s LEU 17 N -2.91 0.51 0.42 9.08 2.96 -1.26 -5.18 118.68 122.30 2cr9 s LEU 17 Ca 0.12 -1.37 0.07 0.00 -0.22 0.00 0.00 54.13 52.74 2cr9 s LEU 17 Cb 0.00 2.24 -0.03 0.00 0.50 0.00 0.00 46.19 48.90 2cr9 s LEU 17 CO -0.02 -1.55 0.31 -0.54 -1.32 0.00 0.00 176.35 173.23 2cr9 s LYS 18 N -2.47 2.42 2.30 1.98 3.01 -1.26 -5.03 119.74 120.67 2cr9 s LYS 18 Ca 0.23 -1.66 0.00 0.00 -1.01 0.00 0.00 55.97 53.53 2cr9 s LYS 18 Cb -0.03 -2.23 0.00 0.00 -1.01 0.00 0.00 37.83 34.56 2cr9 s LYS 18 CO 0.16 -0.18 0.00 0.41 0.51 0.00 0.00 175.35 176.26 2cr9 n GLY 19 N -1.44 -0.35 0.00 -3.33 0.00 -1.26 -4.94 105.19 93.86 2cr9 n GLY 19 Ca 0.02 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 45.07 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 1.93 2.90 -0.02 0.00 -1.26 -4.87 105.19 103.86 2cr9 n GLY 20 Ca 0.00 -0.65 -0.30 0.00 0.00 0.00 0.00 46.02 45.06 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 -0.09 2.11 -0.14 4.61 0.00 -1.26 -4.84 121.76 122.14 2cr9 s ALA 21 Ca 0.00 -1.83 -0.00 0.00 0.00 0.00 0.00 51.96 50.13 2cr9 s ALA 21 Cb 0.00 -1.66 -0.01 0.00 0.00 0.00 0.00 23.12 21.45 2cr9 s ALA 21 CO 0.00 -1.50 -0.13 0.00 0.00 0.00 0.00 175.76 174.13 2cr9 s ALA 22 N 1.31 2.60 0.26 0.00 0.00 -1.26 -4.78 121.76 119.90 2cr9 s ALA 22 Ca 0.05 -0.94 -0.10 0.00 0.00 0.00 0.00 51.96 50.97 2cr9 s ALA 22 Cb -0.18 -1.25 -0.07 0.00 0.00 0.00 0.00 23.12 21.62 2cr9 s ALA 22 CO -0.13 0.14 0.59 0.08 0.00 0.00 0.00 175.76 176.44 2cr9 s VAL 23 N 0.53 4.91 0.30 0.00 1.01 -1.26 -4.92 120.40 120.97 2cr9 s VAL 23 Ca -0.09 0.48 -0.16 0.00 0.00 0.00 0.00 61.98 62.21 2cr9 s VAL 23 Cb -0.16 -3.64 -0.09 0.00 0.00 0.00 0.00 36.38 32.49 2cr9 s VAL 23 CO 0.04 -0.15 0.73 -1.81 0.00 0.00 0.00 175.10 173.91 2cr9 s ASP 24 N -2.52 6.83 0.45 3.32 1.11 -1.26 -4.81 116.67 119.78 2cr9 s ASP 24 Ca 0.48 1.30 0.28 0.00 0.18 0.00 0.00 52.55 54.79 2cr9 s ASP 24 Cb -0.11 -2.38 0.87 0.00 1.07 0.00 0.00 42.92 42.37 2cr9 s ASP 24 CO 0.23 -0.16 1.79 1.55 1.18 0.00 0.00 175.17 179.76 2cr9 h PRO 25 N 2.50 0.00 0.00 8.23 0.13 -1.97 -2.68 132.00 138.20 2cr9 h PRO 25 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2cr9 h PRO 25 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2cr9 h PRO 25 CO 0.65 0.00 0.00 -0.44 -0.23 0.00 0.00 178.00 177.98 2cr9 h ASP 26 N 0.00 0.00 0.63 1.44 3.32 -2.03 -2.71 116.42 117.07 2cr9 h ASP 26 Ca 0.00 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.86 2cr9 h ASP 26 Cb 0.71 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.25 2cr9 h ASP 26 CO 0.00 0.00 -0.87 0.77 -1.72 0.00 0.00 179.24 177.42 2cr9 h SER 27 N 0.00 0.21 0.00 6.45 4.64 -1.88 -3.47 113.55 119.49 2cr9 h SER 27 Ca 0.00 -0.17 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 2cr9 h SER 27 Cb 0.64 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 2cr9 h SER 27 CO 0.00 0.98 0.00 0.61 -0.87 0.00 0.00 176.83 177.55 2cr9 n GLY 28 N 0.88 0.63 0.19 -0.77 0.00 -1.02 -4.82 105.19 100.28 2cr9 n GLY 28 Ca -0.03 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.01 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 1.80 0.27 0.99 4.77 -1.26 -4.57 117.00 118.99 2cr9 n LEU 29 Ca 0.00 -1.46 0.18 0.00 -0.03 0.00 0.00 56.01 54.70 2cr9 n LEU 29 Cb 0.01 -0.04 0.93 0.00 -2.33 0.00 0.00 43.42 41.99 2cr9 n LEU 29 CO 0.00 0.43 1.15 1.05 -1.33 0.00 0.00 177.39 178.69 2cr9 h GLU 30 N 0.77 0.00 0.00 3.23 4.11 -1.74 0.89 114.58 121.84 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 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 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 -3.53 0.00 0.03 2.06 1.44 -1.26 -4.80 115.22 109.15 2cr9 n HIS 31 Ca -0.01 -0.59 0.00 0.00 -2.01 0.00 0.00 57.72 55.12 2cr9 n HIS 31 Cb 0.23 -0.07 0.00 0.00 0.12 0.00 0.00 29.99 30.27 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 -0.67 0.34 -4.99 4.39 2.88 0.53 -5.11 113.62 110.98 2cr9 n SER 32 Ca 0.03 0.10 -0.22 0.00 -1.33 0.00 0.00 58.87 57.45 2cr9 n SER 32 Cb 0.32 -0.06 0.04 0.00 -0.75 0.00 0.00 64.21 63.77 2cr9 n SER 32 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2cr9 s ALA 33 N -2.00 4.65 0.16 -1.46 0.00 0.28 -4.60 121.76 118.79 2cr9 s ALA 33 Ca 0.00 -1.83 -0.03 0.00 0.00 0.00 0.00 51.96 50.09 2cr9 s ALA 33 Cb 0.00 -1.19 -0.03 0.00 0.00 0.00 0.00 23.12 21.90 2cr9 s ALA 33 CO 0.00 -0.76 0.15 -3.38 0.00 0.00 0.00 175.76 171.77 2cr9 s HIS 34 N -2.73 0.82 0.85 0.00 -3.43 -1.21 -4.27 115.29 105.33 2cr9 s HIS 34 Ca 0.52 -1.15 -0.11 0.00 -0.80 0.00 0.00 55.06 53.52 2cr9 s HIS 34 Cb -0.04 -0.38 0.11 0.00 -1.43 0.00 0.00 32.58 30.83 2cr9 s HIS 34 CO 0.33 -0.62 1.14 0.54 -2.00 0.00 0.00 174.74 174.13 2cr9 s VAL 35 N -4.06 2.42 -0.20 -5.38 0.11 -1.26 0.22 120.40 112.25 2cr9 s VAL 35 Ca 0.27 0.15 -0.21 0.00 -2.93 0.00 0.00 61.98 59.26 2cr9 s VAL 35 Cb 0.06 -2.37 -0.02 0.00 -1.53 0.00 0.00 36.38 32.51 2cr9 s VAL 35 CO 0.05 -0.17 0.63 -0.22 -3.33 0.00 0.00 175.10 172.06 2cr9 s LEU 36 N -6.19 4.14 -0.07 2.54 1.98 0.99 -4.48 118.68 117.58 2cr9 s LEU 36 Ca 0.67 0.83 0.02 0.00 -2.89 0.00 0.00 54.13 52.75 2cr9 s LEU 36 Cb -0.22 -2.89 -0.03 0.00 0.66 0.00 0.00 46.19 43.71 2cr9 s LEU 36 CO 0.55 -0.27 -0.11 -1.61 -1.89 0.00 0.00 176.35 173.02 2cr9 s GLU 37 N 1.92 2.77 -0.02 1.98 2.02 -1.26 -1.05 118.70 125.07 2cr9 s GLU 37 Ca 0.29 -0.63 -0.18 0.00 0.02 0.00 0.00 54.97 54.47 2cr9 s GLU 37 Cb -0.16 -2.52 0.03 0.00 0.10 0.00 0.00 34.13 31.59 2cr9 s GLU 37 CO 0.10 0.56 0.37 0.15 0.02 0.00 0.00 175.26 176.47 2cr9 s LYS 38 N -0.56 0.73 -1.43 1.61 1.02 0.80 -4.91 119.74 117.00 2cr9 s LYS 38 Ca 0.08 -0.10 -0.02 0.00 0.02 0.00 0.00 55.97 55.95 2cr9 s LYS 38 Cb -0.12 0.33 0.00 0.00 -0.52 0.00 0.00 37.83 37.53 2cr9 s LYS 38 CO 0.02 -0.21 0.04 0.41 -0.92 0.00 0.00 175.35 174.69 2cr9 n GLY 39 N 1.24 -0.15 3.70 -3.33 0.00 -1.26 0.22 105.19 105.61 2cr9 n GLY 39 Ca -0.21 0.18 -0.28 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 -2.46 -0.50 3.07 -0.02 0.00 -1.26 -4.96 105.19 99.06 2cr9 n GLY 40 Ca -0.30 0.16 -0.17 0.00 0.00 0.00 0.00 46.02 45.71 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 -6.39 0.68 -0.11 1.61 -0.14 0.59 -5.14 119.74 110.84 2cr9 s LYS 41 Ca 0.57 -0.59 -0.04 0.00 -1.36 0.00 0.00 55.97 54.55 2cr9 s LYS 41 Cb -0.29 -0.61 -0.04 0.00 -1.68 0.00 0.00 37.83 35.22 2cr9 s LYS 41 CO 0.70 0.15 0.03 0.08 -0.76 0.00 0.00 175.35 175.55 2cr9 s VAL 42 N -0.79 4.56 -0.14 3.17 1.01 -1.26 -0.14 120.40 126.82 2cr9 s VAL 42 Ca -0.02 -0.14 -0.00 0.00 0.00 0.00 0.00 61.98 61.82 2cr9 s VAL 42 Cb -0.07 -2.96 0.09 0.00 0.00 0.00 0.00 36.38 33.45 2cr9 s VAL 42 CO 0.01 0.58 2.01 0.49 0.00 0.00 0.00 175.10 178.18 2cr9 n PHE 43 N 2.39 0.66 -3.92 5.22 3.01 -0.21 -4.70 117.46 119.91 2cr9 n PHE 43 Ca -0.18 -1.41 -0.33 0.00 1.01 0.00 0.00 57.45 56.54 2cr9 n PHE 43 Cb 0.54 -0.69 -0.13 0.00 -0.01 0.00 0.00 39.48 39.18 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 1.22 4.86 -0.05 4.37 0.15 -1.26 -2.47 113.70 120.51 2cr9 s SER 44 Ca 0.13 -2.34 0.05 0.00 0.70 0.00 0.00 55.95 54.50 2cr9 s SER 44 Cb 0.10 -1.70 -0.02 0.00 -1.71 0.00 0.00 66.02 62.69 2cr9 s SER 44 CO -0.00 -0.39 -0.21 0.00 1.20 0.00 0.00 173.24 173.83 2cr9 s ALA 45 N 0.67 2.36 -0.42 5.45 0.00 -0.70 -5.04 121.76 124.08 2cr9 s ALA 45 Ca 0.12 -1.03 -0.02 0.00 0.00 0.00 0.00 51.96 51.02 2cr9 s ALA 45 Cb -0.21 -0.78 0.11 0.00 0.00 0.00 0.00 23.12 22.24 2cr9 s ALA 45 CO -0.05 0.48 0.21 0.99 0.00 0.00 0.00 175.76 177.39 2cr9 s THR 46 N -0.42 3.26 0.51 0.00 2.01 -1.26 -1.69 115.64 118.05 2cr9 s THR 46 Ca 0.04 -2.14 -0.12 0.00 0.31 0.00 0.00 61.69 59.77 2cr9 s THR 46 Cb -0.12 -3.24 -0.06 0.00 0.01 0.00 0.00 72.50 69.09 2cr9 s THR 46 CO 0.02 -0.70 0.92 -0.76 -0.69 0.00 0.00 174.62 173.40 2cr9 s LEU 47 N 1.04 3.58 -0.24 4.42 1.02 0.35 -0.77 118.68 128.07 2cr9 s LEU 47 Ca 0.09 1.35 -0.05 0.00 0.02 0.00 0.00 54.13 55.54 2cr9 s LEU 47 Cb -0.22 -4.30 0.13 0.00 0.02 0.00 0.00 46.19 41.81 2cr9 s LEU 47 CO -0.04 -0.61 0.47 -0.83 0.02 0.00 0.00 176.35 175.36 2cr9 s GLY 48 N -3.49 -0.54 -0.03 -3.19 0.00 0.97 -1.54 107.32 99.50 2cr9 s GLY 48 Ca 0.55 1.49 0.05 0.00 0.00 0.00 0.00 44.72 46.81 2cr9 s GLY 48 CO 0.39 2.75 -0.19 -2.27 0.00 0.00 0.00 173.10 173.77 2cr9 s LEU 49 N 2.67 1.99 -0.07 0.66 1.98 -0.30 -3.41 118.68 122.20 2cr9 s LEU 49 Ca 0.06 -0.37 -0.07 0.00 -2.89 0.00 0.00 54.13 50.86 2cr9 s LEU 49 Cb -0.14 -1.04 0.02 0.00 0.66 0.00 0.00 46.19 45.69 2cr9 s LEU 49 CO -0.16 0.21 0.20 0.54 -1.89 0.00 0.00 176.35 175.25 2cr9 s VAL 50 N -0.23 0.00 -0.01 1.68 0.11 -1.26 0.25 120.40 120.94 2cr9 s VAL 50 Ca 0.02 -0.03 -0.15 0.00 -2.93 0.00 0.00 61.98 58.89 2cr9 s VAL 50 Cb -0.10 -0.30 -0.06 0.00 -1.53 0.00 0.00 36.38 34.40 2cr9 s VAL 50 CO 0.01 -0.01 0.42 -1.81 -3.33 0.00 0.00 175.10 170.37 2cr9 s ASP 51 N 0.05 6.80 -0.12 3.54 1.01 0.35 -4.94 116.67 123.36 2cr9 s ASP 51 Ca -0.01 0.96 0.08 0.00 0.71 0.00 0.00 52.55 54.29 2cr9 s ASP 51 Cb -0.02 -2.26 -0.24 0.00 1.01 0.00 0.00 42.92 41.42 2cr9 s ASP 51 CO 0.00 0.29 0.36 0.00 0.21 0.00 0.00 175.17 176.03 2cr9 n ILE 52 N 2.01 1.59 -0.07 0.77 3.06 -1.26 -2.73 119.36 122.73 2cr9 n ILE 52 Ca -0.13 -0.75 -0.11 0.00 -2.50 0.00 0.00 62.75 59.26 2cr9 n ILE 52 Cb 0.52 -1.12 -0.08 0.00 0.54 0.00 0.00 39.64 39.50 2cr9 n ILE 52 CO 0.00 0.00 0.00 -0.37 -2.50 0.00 0.00 176.55 173.68 2cr9 h VAL 53 N 0.02 0.93 0.00 9.51 -1.51 -1.97 -3.30 116.25 119.93 2cr9 h VAL 53 Ca -0.41 -1.80 0.00 0.00 -1.23 0.00 0.00 66.70 63.26 2cr9 h VAL 53 Cb 2.06 1.86 0.00 0.00 -2.13 0.00 0.00 31.29 33.08 2cr9 h VAL 53 CO 0.05 0.32 0.00 0.29 -1.23 0.00 0.00 177.57 177.00 2cr9 n LYS 54 N -4.62 0.09 -3.23 5.19 4.76 -1.26 -4.85 118.16 114.23 2cr9 n LYS 54 Ca -0.12 0.33 -0.23 0.00 -2.87 0.00 0.00 58.31 55.42 2cr9 n LYS 54 Cb 0.38 -1.67 0.01 0.00 -1.84 0.00 0.00 35.03 31.91 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 -0.02 -0.50 3.16 0.72 0.00 -1.11 -4.95 105.19 102.48 2cr9 n GLY 55 Ca 0.03 0.11 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.04 2.40 0.34 2.61 -4.23 -1.10 -4.92 115.64 107.69 2cr9 s THR 56 Ca 0.37 -0.96 -0.07 0.00 -1.18 0.00 0.00 61.69 59.84 2cr9 s THR 56 Cb -0.18 -2.10 -0.06 0.00 1.34 0.00 0.00 72.50 71.50 2cr9 s THR 56 CO 0.45 0.41 0.65 0.20 -0.54 0.00 0.00 174.62 175.79 2cr9 s ASN 57 N 1.30 6.47 0.11 3.99 -0.87 -1.26 0.13 114.94 124.81 2cr9 s ASN 57 Ca 0.03 0.88 -0.15 0.00 -1.57 0.00 0.00 52.86 52.05 2cr9 s ASN 57 Cb -0.15 -2.22 0.03 0.00 -0.02 0.00 0.00 41.25 38.90 2cr9 s ASN 57 CO -0.09 -0.29 0.35 -0.44 -2.57 0.00 0.00 177.10 174.06 2cr9 s SER 58 N -3.20 -0.16 -0.16 -1.22 0.01 0.71 -3.52 113.70 106.15 2cr9 s SER 58 Ca 0.47 -0.37 -0.08 0.00 1.31 0.00 0.00 55.95 57.28 2cr9 s SER 58 Cb -0.10 0.44 0.06 0.00 0.21 0.00 0.00 66.02 66.63 2cr9 s SER 58 CO 0.31 -0.81 0.38 -0.72 0.41 0.00 0.00 173.24 172.81 2cr9 s TYR 59 N -3.73 -0.60 -0.14 2.43 -0.85 -0.27 -1.15 117.35 113.05 2cr9 s TYR 59 Ca 0.03 1.25 0.01 0.00 -0.52 0.00 0.00 57.07 57.84 2cr9 s TYR 59 Cb 0.02 0.22 -0.00 0.00 0.38 0.00 0.00 41.96 42.58 2cr9 s TYR 59 CO -0.11 -0.36 -0.17 -0.47 -1.52 0.00 0.00 175.55 172.92 2cr9 s TYR 60 N 1.73 2.74 -0.03 -3.49 6.14 -0.59 -3.44 117.35 120.41 2cr9 s TYR 60 Ca -0.07 -0.95 0.04 0.00 0.64 0.00 0.00 57.07 56.73 2cr9 s TYR 60 Cb -0.10 -1.84 -0.03 0.00 0.42 0.00 0.00 41.96 40.42 2cr9 s TYR 60 CO -0.12 -0.40 -0.15 0.21 0.64 0.00 0.00 175.55 175.73 2cr9 s LYS 61 N 0.60 2.44 -0.03 4.97 2.36 -0.74 0.13 119.74 129.47 2cr9 s LYS 61 Ca -0.09 -0.74 0.00 0.00 -2.55 0.00 0.00 55.97 52.59 2cr9 s LYS 61 Cb -0.16 -2.35 0.03 0.00 -1.05 0.00 0.00 37.83 34.30 2cr9 s LYS 61 CO 0.03 0.61 0.00 -1.17 1.55 0.00 0.00 175.35 176.37 2cr9 s LEU 62 N -0.86 1.13 -0.22 5.43 2.96 -0.68 -1.53 118.68 124.90 2cr9 s LEU 62 Ca 0.12 -0.03 -0.04 0.00 -0.22 0.00 0.00 54.13 53.97 2cr9 s LEU 62 Cb -0.11 -0.23 0.12 0.00 0.50 0.00 0.00 46.19 46.47 2cr9 s LEU 62 CO 0.01 -0.11 0.35 -1.10 -1.32 0.00 0.00 176.35 174.19 2cr9 s GLN 63 N 1.07 0.30 -0.57 1.98 -0.21 -0.97 -1.72 119.66 119.55 2cr9 s GLN 63 Ca -0.09 0.55 -0.25 0.00 0.02 0.00 0.00 55.36 55.59 2cr9 s GLN 63 Cb -0.13 -0.48 0.04 0.00 1.00 0.00 0.00 33.01 33.44 2cr9 s GLN 63 CO -0.02 -0.57 1.01 -1.17 -2.12 0.00 0.00 175.29 172.42 2cr9 s LEU 64 N 2.51 3.94 0.19 2.90 0.20 -1.03 -2.85 118.68 124.53 2cr9 s LEU 64 Ca 0.09 -0.30 -0.16 0.00 0.69 0.00 0.00 54.13 54.45 2cr9 s LEU 64 Cb -0.15 -2.86 -0.08 0.00 -0.43 0.00 0.00 46.19 42.67 2cr9 s LEU 64 CO -0.14 -1.32 0.62 -0.76 -0.29 0.00 0.00 176.35 174.46 2cr9 s LEU 65 N 4.25 4.32 -0.19 -0.68 1.43 -1.02 0.33 118.68 127.13 2cr9 s LEU 65 Ca 0.33 1.21 0.00 0.00 -1.03 0.00 0.00 54.13 54.64 2cr9 s LEU 65 Cb -0.12 -3.44 0.04 0.00 0.03 0.00 0.00 46.19 42.71 2cr9 s LEU 65 CO 0.20 0.05 -0.08 -0.70 0.23 0.00 0.00 176.35 176.05 2cr9 s GLU 66 N -2.05 1.80 0.12 1.70 2.12 0.59 -0.02 118.70 122.96 2cr9 s GLU 66 Ca 0.41 -0.71 -0.31 0.00 0.36 0.00 0.00 54.97 54.72 2cr9 s GLU 66 Cb -0.15 -2.26 -0.10 0.00 0.26 0.00 0.00 34.13 31.88 2cr9 s GLU 66 CO 0.20 -0.43 1.84 0.34 -0.54 0.00 0.00 175.26 176.67 2cr9 s ASP 67 N 1.49 6.42 -0.81 -1.70 2.15 0.42 -3.28 116.67 121.36 2cr9 s ASP 67 Ca -0.00 2.77 -0.04 0.00 0.43 0.00 0.00 52.55 55.70 2cr9 s ASP 67 Cb -0.16 -2.57 0.12 0.00 -0.30 0.00 0.00 42.92 40.02 2cr9 s ASP 67 CO -0.08 -1.01 2.52 -0.67 -0.17 0.00 0.00 175.17 175.76 2cr9 n ASP 68 N 5.74 7.14 0.00 -0.34 2.03 -1.26 -2.94 116.55 126.91 2cr9 n ASP 68 Ca 0.18 -3.28 0.00 0.00 0.52 0.00 0.00 54.79 52.21 2cr9 n ASP 68 Cb 0.38 -1.26 0.00 0.00 -0.72 0.00 0.00 41.12 39.53 2cr9 n ASP 68 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2cr9 n LYS 69 N 0.96 0.00 -1.06 -0.67 5.02 -1.26 -4.94 118.16 116.21 2cr9 n LYS 69 Ca 0.54 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 56.62 2cr9 n LYS 69 Cb 0.40 0.00 0.02 0.00 -0.02 0.00 0.00 35.03 35.44 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 -0.07 2.01 -3.99 1.97 -0.58 -1.26 -4.84 120.64 113.88 2cr9 n GLU 70 Ca 0.00 -1.89 -0.40 0.00 -0.42 0.00 0.00 57.16 54.46 2cr9 n GLU 70 Cb 0.00 -1.79 0.01 0.00 -0.57 0.00 0.00 31.44 29.10 2cr9 n GLU 70 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2cr9 n ASN 71 N 0.34 -4.12 -4.82 1.62 3.02 -1.25 -4.94 115.26 105.11 2cr9 n ASN 71 Ca 0.37 -1.18 -0.25 0.00 -0.03 0.00 0.00 54.58 53.50 2cr9 n ASN 71 Cb 0.58 -1.52 -0.04 0.00 -0.61 0.00 0.00 39.78 38.18 2cr9 n ASN 71 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2cr9 s ARG 72 N -6.70 2.31 0.05 3.52 0.52 -1.15 -4.85 118.95 112.65 2cr9 s ARG 72 Ca 0.34 -1.85 -0.18 0.00 -0.52 0.00 0.00 55.73 53.53 2cr9 s ARG 72 Cb -0.19 -2.09 0.04 0.00 0.52 0.00 0.00 34.95 33.22 2cr9 s ARG 72 CO 0.92 -0.29 0.41 0.71 0.02 0.00 0.00 175.30 177.07 2cr9 s TYR 73 N -2.63 -0.26 0.15 -0.53 1.51 -1.26 0.16 117.35 114.49 2cr9 s TYR 73 Ca 0.39 0.19 0.05 0.00 -1.01 0.00 0.00 57.07 56.69 2cr9 s TYR 73 Cb 0.00 0.22 -0.04 0.00 -0.11 0.00 0.00 41.96 42.03 2cr9 s TYR 73 CO 0.22 -0.59 -0.11 -1.58 -1.11 0.00 0.00 175.55 172.39 2cr9 s TRP 74 N -2.63 1.33 -0.39 2.71 0.51 0.97 -0.46 118.94 120.98 2cr9 s TRP 74 Ca -0.04 -0.72 0.04 0.00 -2.12 0.00 0.00 56.10 53.25 2cr9 s TRP 74 Cb -0.00 -0.67 0.11 0.00 -0.81 0.00 0.00 33.47 32.10 2cr9 s TRP 74 CO -0.03 0.12 0.12 0.42 -0.51 0.00 0.00 176.95 177.07 2cr9 s ILE 75 N -3.22 2.26 -0.18 2.03 -1.09 0.35 -2.43 121.20 118.91 2cr9 s ILE 75 Ca 0.17 -2.58 -0.19 0.00 -2.23 0.00 0.00 60.65 55.82 2cr9 s ILE 75 Cb 0.02 -2.64 -0.03 0.00 -1.58 0.00 0.00 42.46 38.23 2cr9 s ILE 75 CO 0.01 -0.67 0.53 0.12 -1.23 0.00 0.00 174.94 173.70 2cr9 s PHE 76 N 0.58 3.40 -0.13 3.97 5.36 -1.13 -2.64 117.98 127.38 2cr9 s PHE 76 Ca 0.13 0.83 -0.04 0.00 -0.96 0.00 0.00 56.93 56.89 2cr9 s PHE 76 Cb -0.21 -2.67 0.06 0.00 -0.34 0.00 0.00 43.02 39.86 2cr9 s PHE 76 CO -0.06 -0.06 0.13 -0.98 -1.46 0.00 0.00 175.22 172.79 2cr9 s ARG 77 N 1.48 0.06 0.18 10.12 1.70 -0.04 -2.29 118.95 130.17 2cr9 s ARG 77 Ca 0.25 0.22 0.07 0.00 -0.47 0.00 0.00 55.73 55.81 2cr9 s ARG 77 Cb -0.15 -1.07 -0.04 0.00 -0.57 0.00 0.00 34.95 33.11 2cr9 s ARG 77 CO 0.10 -0.52 0.05 0.45 -1.08 0.00 0.00 175.30 174.31 2cr9 s SER 78 N 2.23 5.03 0.33 -2.89 0.15 -0.58 -0.98 113.70 116.98 2cr9 s SER 78 Ca 0.04 -0.33 -0.12 0.00 0.70 0.00 0.00 55.95 56.24 2cr9 s SER 78 Cb -0.14 -1.16 0.02 0.00 -1.71 0.00 0.00 66.02 63.03 2cr9 s SER 78 CO -0.08 0.07 0.62 -1.66 1.20 0.00 0.00 173.24 173.39 2cr9 s TRP 79 N -1.81 0.40 0.00 3.44 -2.14 -0.58 -1.80 118.94 116.46 2cr9 s TRP 79 Ca 0.29 -0.85 0.00 0.00 2.66 0.00 0.00 56.10 58.20 2cr9 s TRP 79 Cb -0.09 0.41 0.00 0.00 -3.10 0.00 0.00 33.47 30.68 2cr9 s TRP 79 CO 0.21 -1.27 0.00 0.41 -2.66 0.00 0.00 176.95 173.64 2cr9 n GLY 80 N -0.50 2.65 1.17 3.67 0.00 -1.22 -2.08 105.19 108.88 2cr9 n GLY 80 Ca -0.04 -1.89 -0.09 0.00 0.00 0.00 0.00 46.02 44.00 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 -1.70 -0.73 -3.79 1.61 1.74 -0.92 -1.11 116.66 111.76 2cr9 n ARG 81 Ca 0.00 -0.61 -0.34 0.00 -0.77 0.00 0.00 57.85 56.13 2cr9 n ARG 81 Cb 0.00 -0.45 -0.11 0.00 -1.02 0.00 0.00 32.46 30.89 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 -1.83 3.42 0.00 1.55 1.01 -1.23 -4.59 120.40 118.73 2cr9 s VAL 82 Ca 0.23 -3.29 0.00 0.00 0.00 0.00 0.00 61.98 58.92 2cr9 s VAL 82 Cb -0.01 -3.25 0.00 0.00 0.00 0.00 0.00 36.38 33.12 2cr9 s VAL 82 CO 0.17 -0.89 0.00 0.61 0.00 0.00 0.00 175.10 174.98 2cr9 n GLY 83 N 3.10 3.13 1.69 4.51 0.00 -1.26 -4.95 105.19 111.41 2cr9 n GLY 83 Ca 0.10 -1.03 -0.11 0.00 0.00 0.00 0.00 46.02 44.98 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 0.00 0.00 0.03 2.61 -1.04 -1.26 -4.91 114.28 109.72 2cr9 n THR 84 Ca 0.00 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.92 2cr9 n THR 84 Cb 0.00 -0.34 -0.13 0.00 -1.82 0.00 0.00 70.33 68.04 2cr9 n THR 84 CO 0.00 0.00 0.00 -0.37 -0.64 0.00 0.00 175.07 174.06 2cr9 h VAL 85 N -2.41 1.36 -2.22 12.58 -1.51 -1.98 -3.46 116.25 118.62 2cr9 h VAL 85 Ca -0.14 -3.10 -0.58 0.00 -1.23 0.00 0.00 66.70 61.65 2cr9 h VAL 85 Cb 0.46 2.70 0.03 0.00 -2.13 0.00 0.00 31.29 32.34 2cr9 h VAL 85 CO 0.08 0.79 1.11 -0.38 -1.23 0.00 0.00 177.57 177.94 2cr9 n ILE 86 N -3.26 0.53 0.00 7.19 5.41 -1.26 -4.90 119.36 123.07 2cr9 n ILE 86 Ca -0.08 -0.10 0.00 0.00 1.00 0.00 0.00 62.75 63.58 2cr9 n ILE 86 Cb 0.99 -2.00 0.00 0.00 -0.71 0.00 0.00 39.64 37.92 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 4.31 0.29 3.29 7.39 0.00 -1.26 -2.16 105.19 117.05 2cr9 n GLY 87 Ca 0.21 0.69 -0.09 0.00 0.00 0.00 0.00 46.02 46.82 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 0.02 1.61 0.01 -0.88 -5.01 113.70 109.52 2cr9 s SER 88 Ca 0.00 -0.80 0.01 0.00 1.31 0.00 0.00 55.95 56.48 2cr9 s SER 88 Cb 0.00 0.40 -0.01 0.00 0.21 0.00 0.00 66.02 66.61 2cr9 s SER 88 CO 0.00 -0.83 -0.05 0.54 0.41 0.00 0.00 173.24 173.31 2cr9 s ASN 89 N -2.93 0.52 -0.03 2.44 4.22 -1.26 -1.52 114.94 116.39 2cr9 s ASN 89 Ca 0.13 -0.35 0.05 0.00 -2.14 0.00 0.00 52.86 50.56 2cr9 s ASN 89 Cb 0.04 0.02 -0.01 0.00 1.28 0.00 0.00 41.25 42.58 2cr9 s ASN 89 CO -0.04 -0.13 -0.19 -0.75 -2.04 0.00 0.00 177.10 173.95 2cr9 s LYS 90 N -0.96 1.68 -0.05 3.55 2.47 -0.15 -4.99 119.74 121.29 2cr9 s LYS 90 Ca -0.07 -0.68 -0.00 0.00 -1.56 0.00 0.00 55.97 53.66 2cr9 s LYS 90 Cb -0.07 -1.56 0.03 0.00 -1.46 0.00 0.00 37.83 34.77 2cr9 s LYS 90 CO -0.00 0.36 -0.00 -1.17 0.16 0.00 0.00 175.35 174.70 2cr9 s LEU 91 N -0.30 0.90 0.09 5.43 2.96 -1.26 -0.86 118.68 125.65 2cr9 s LEU 91 Ca 0.04 -0.06 0.04 0.00 -0.22 0.00 0.00 54.13 53.93 2cr9 s LEU 91 Cb -0.09 -0.33 -0.03 0.00 0.50 0.00 0.00 46.19 46.23 2cr9 s LEU 91 CO 0.00 -0.14 -0.10 -1.61 -1.32 0.00 0.00 176.35 173.19 2cr9 s GLU 92 N 1.43 0.82 -0.10 1.98 2.02 -1.08 -4.93 118.70 118.84 2cr9 s GLU 92 Ca -0.04 -1.12 -0.12 0.00 0.02 0.00 0.00 54.97 53.72 2cr9 s GLU 92 Cb -0.13 -0.52 -0.05 0.00 0.10 0.00 0.00 34.13 33.53 2cr9 s GLU 92 CO -0.03 0.08 0.27 -1.14 0.02 0.00 0.00 175.26 174.46 2cr9 s GLN 93 N -2.68 3.88 0.15 1.61 0.74 -1.26 0.13 119.66 122.24 2cr9 s GLN 93 Ca 0.04 0.10 -0.02 0.00 0.05 0.00 0.00 55.36 55.53 2cr9 s GLN 93 Cb -0.03 -3.29 -0.05 0.00 1.10 0.00 0.00 33.01 30.74 2cr9 s GLN 93 CO -0.00 0.56 0.34 -1.64 -0.55 0.00 0.00 175.29 174.00 2cr9 s MET 94 N -0.50 3.53 -0.07 1.67 -1.94 0.40 -4.93 119.30 117.45 2cr9 s MET 94 Ca 0.18 -0.30 -0.17 0.00 -1.71 0.00 0.00 55.69 53.68 2cr9 s MET 94 Cb -0.14 -2.89 -0.13 0.00 2.01 0.00 0.00 34.83 33.69 2cr9 s MET 94 CO 0.06 0.47 0.65 -1.00 -0.01 0.00 0.00 175.02 175.19 2cr9 h PRO 95 N 2.47 -0.20 -6.40 2.03 0.13 -1.93 -3.38 132.00 124.73 2cr9 h PRO 95 Ca -0.47 0.01 -0.62 0.00 -0.87 0.00 0.00 66.00 64.06 2cr9 h PRO 95 Cb 1.18 0.04 -0.14 0.00 0.13 0.00 0.00 31.00 32.21 2cr9 h PRO 95 CO 0.71 0.18 -0.73 0.45 -0.23 0.00 0.00 178.00 178.37 2cr9 s SER 96 N -5.49 4.04 0.17 1.44 0.15 -1.26 -4.93 113.70 107.82 2cr9 s SER 96 Ca -0.10 -0.72 -0.15 0.00 0.70 0.00 0.00 55.95 55.68 2cr9 s SER 96 Cb -0.00 -0.59 0.11 0.00 -1.71 0.00 0.00 66.02 63.84 2cr9 s SER 96 CO 0.37 0.08 1.73 0.50 1.20 0.00 0.00 173.24 177.12 2cr9 h LYS 97 N 2.69 0.22 0.56 5.44 3.64 -1.90 -1.78 116.57 125.43 2cr9 h LYS 97 Ca -0.45 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 58.89 2cr9 h LYS 97 Cb 1.22 -0.05 0.01 0.00 -0.41 0.00 0.00 32.23 33.00 2cr9 h LYS 97 CO 0.55 0.14 -0.27 0.93 -2.27 0.00 0.00 179.45 178.53 2cr9 h GLU 98 N 0.22 -0.72 -1.06 1.90 5.08 -1.98 0.01 114.58 118.02 2cr9 h GLU 98 Ca 0.20 0.05 0.31 0.00 -1.00 0.00 0.00 59.36 58.91 2cr9 h GLU 98 Cb 0.23 0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.60 2cr9 h GLU 98 CO -0.25 -0.48 0.98 -0.44 -1.00 0.00 0.00 179.01 177.82 2cr9 h ASP 99 N -0.76 0.00 0.00 1.42 3.32 -1.87 0.85 116.42 119.38 2cr9 h ASP 99 Ca -0.08 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.95 2cr9 h ASP 99 Cb 0.58 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.13 2cr9 h ASP 99 CO 0.13 0.00 -0.14 0.00 -1.72 0.00 0.00 179.24 177.51 2cr9 h ALA 100 N 1.04 0.03 -0.32 3.45 0.00 -0.38 -3.05 119.26 120.03 2cr9 h ALA 100 Ca 0.51 -0.47 0.05 0.00 0.00 0.00 0.00 54.91 55.00 2cr9 h ALA 100 Cb 2.46 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 20.28 2cr9 h ALA 100 CO -0.01 0.08 0.01 0.82 0.00 0.00 0.00 179.25 180.16 2cr9 h ILE 101 N -1.00 0.78 -0.43 0.00 2.04 0.20 0.29 117.51 119.39 2cr9 h ILE 101 Ca -0.03 -0.03 0.09 0.00 1.00 0.00 0.00 64.86 65.88 2cr9 h ILE 101 Cb 0.81 0.67 -0.09 0.00 -0.74 0.00 0.00 36.82 37.47 2cr9 h ILE 101 CO -0.02 0.02 -0.14 -0.33 0.00 0.00 0.00 178.15 177.68 2cr9 h GLU 102 N 0.10 -0.04 -0.08 2.37 5.08 0.24 1.49 114.58 123.74 2cr9 h GLU 102 Ca 0.15 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.51 2cr9 h GLU 102 Cb 0.20 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.46 2cr9 h GLU 102 CO -0.25 -0.03 0.04 1.25 -1.00 0.00 0.00 179.01 179.02 2cr9 h HIS 103 N -0.05 0.10 -0.08 4.33 2.76 -1.22 0.47 115.15 121.46 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 0.37 -0.03 -0.01 0.00 1.55 0.00 0.00 27.41 29.29 2cr9 h HIS 103 CO -0.41 0.14 -0.02 0.35 -1.30 0.00 0.00 177.93 176.69 2cr9 h PHE 104 N 0.04 0.12 0.08 5.26 3.04 0.73 1.40 116.94 127.60 2cr9 h PHE 104 Ca 0.03 -0.00 -0.25 0.00 3.98 0.00 0.00 57.97 61.73 2cr9 h PHE 104 Cb 0.07 -0.04 -0.00 0.00 2.56 0.00 0.00 35.95 38.54 2cr9 h PHE 104 CO -0.05 0.14 -1.12 0.52 -2.02 0.00 0.00 178.31 175.79 2cr9 h MET 105 N 0.12 0.24 0.07 1.11 2.86 0.27 -2.84 114.93 116.76 2cr9 h MET 105 Ca 0.03 -0.36 -0.11 0.00 -2.06 0.00 0.00 59.70 57.19 2cr9 h MET 105 Cb 0.12 0.13 0.01 0.00 0.06 0.00 0.00 31.60 31.91 2cr9 h MET 105 CO 0.00 1.14 -0.51 -0.22 1.06 0.00 0.00 176.91 178.38 2cr9 h LYS 106 N 0.09 0.16 0.00 1.72 3.64 0.75 -2.96 116.57 119.96 2cr9 h LYS 106 Ca -0.10 -0.27 0.03 0.00 -1.27 0.00 0.00 60.65 59.04 2cr9 h LYS 106 Cb 1.83 0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 33.70 2cr9 h LYS 106 CO 0.18 1.13 -0.49 -0.07 -2.27 0.00 0.00 179.45 177.93 2cr9 h LEU 107 N -0.66 -1.51 0.00 5.20 3.38 0.18 0.75 115.31 122.64 2cr9 h LEU 107 Ca -0.10 0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2cr9 h LEU 107 Cb 1.36 0.58 0.00 0.00 0.09 0.00 0.00 40.66 42.69 2cr9 h LEU 107 CO 0.07 -0.50 0.00 0.00 0.09 0.00 0.00 178.44 178.10 2cr9 n TYR 108 N -5.46 0.00 0.03 1.13 9.36 -1.07 -0.56 117.16 120.59 2cr9 n TYR 108 Ca -0.07 0.00 0.11 0.00 3.32 0.00 0.00 57.90 61.26 2cr9 n TYR 108 Cb 0.39 -0.47 -0.10 0.00 -0.63 0.00 0.00 39.34 38.53 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 -1.47 0.64 0.14 2.98 2.13 0.20 -3.44 120.64 121.82 2cr9 n GLU 109 Ca 0.01 -0.06 -0.24 0.00 0.66 0.00 0.00 57.16 57.53 2cr9 n GLU 109 Cb 0.06 -1.65 -0.16 0.00 0.27 0.00 0.00 31.44 29.96 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 0.52 0.17 5.31 4.11 0.26 0.97 114.58 125.93 2cr9 h GLU 110 Ca -0.01 -0.89 -0.01 0.00 0.07 0.00 0.00 59.36 58.52 2cr9 h GLU 110 Cb 1.03 0.33 0.00 0.00 0.50 0.00 0.00 28.75 30.62 2cr9 h GLU 110 CO 0.00 1.43 -0.08 0.87 0.07 0.00 0.00 179.01 181.29 2cr9 h LYS 111 N 0.14 -0.22 0.00 1.06 1.79 -1.64 -3.27 116.57 114.43 2cr9 h LYS 111 Ca -0.27 0.02 -0.04 0.00 -2.18 0.00 0.00 60.65 58.18 2cr9 h LYS 111 Cb 2.16 0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 32.86 2cr9 h LYS 111 CO 0.26 -0.15 -0.19 1.79 -1.08 0.00 0.00 179.45 180.09 2cr9 h THR 112 N -0.39 0.85 0.00 -0.16 1.35 -1.60 -2.52 112.91 110.44 2cr9 h THR 112 Ca -0.02 -0.72 0.00 0.00 -0.55 0.00 0.00 66.41 65.12 2cr9 h THR 112 Cb 0.18 1.42 0.00 0.00 -1.73 0.00 0.00 68.15 68.02 2cr9 h THR 112 CO 0.04 0.18 0.00 0.61 -0.25 0.00 0.00 175.52 176.10 2cr9 n GLY 113 N -0.71 2.57 3.73 5.82 0.00 0.33 -4.54 105.19 112.38 2cr9 n GLY 113 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.27 5.38 0.78 1.61 0.01 -1.16 -4.83 114.94 114.45 2cr9 s ASN 114 Ca 0.00 0.06 -0.14 0.00 -0.71 0.00 0.00 52.86 52.07 2cr9 s ASN 114 Cb 0.00 -1.47 0.06 0.00 0.41 0.00 0.00 41.25 40.25 2cr9 s ASN 114 CO 0.00 0.27 1.22 0.00 -1.51 0.00 0.00 177.10 177.08 2cr9 n ALA 115 N 1.28 0.18 0.19 0.60 0.00 -1.26 -4.02 120.51 117.48 2cr9 n ALA 115 Ca -0.14 -0.27 -0.14 0.00 0.00 0.00 0.00 53.44 52.89 2cr9 n ALA 115 Cb 0.53 -2.26 -0.08 0.00 0.00 0.00 0.00 19.45 17.64 2cr9 n ALA 115 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.50 179.85 2cr9 h TRP 116 N -0.64 -0.44 -2.44 0.00 2.91 -1.87 -3.26 115.95 110.20 2cr9 h TRP 116 Ca -0.47 -0.01 -0.79 0.00 1.13 0.00 0.00 58.89 58.74 2cr9 h TRP 116 Cb 1.31 0.15 -0.24 0.00 -0.51 0.00 0.00 29.16 29.86 2cr9 h TRP 116 CO 0.45 -0.15 1.16 1.58 -1.03 0.00 0.00 178.44 180.45 2cr9 n HIS 117 N -5.20 2.43 0.00 2.65 -0.00 -1.26 -4.41 115.22 109.42 2cr9 n HIS 117 Ca -0.10 -2.62 0.00 0.00 0.46 0.00 0.00 57.72 55.46 2cr9 n HIS 117 Cb 0.26 -1.44 0.00 0.00 -0.12 0.00 0.00 29.99 28.70 2cr9 n HIS 117 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 2cr9 n SER 118 N 1.89 2.97 -0.15 0.26 2.88 -1.23 -5.15 113.62 115.09 2cr9 n SER 118 Ca 0.31 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.87 2cr9 n SER 118 Cb 0.33 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.78 2cr9 n SER 118 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2cr9 n LYS 119 N -2.52 -0.34 -3.60 -1.46 4.81 -1.26 -4.94 118.16 108.84 2cr9 n LYS 119 Ca 0.00 0.28 -0.28 0.00 -0.87 0.00 0.00 58.31 57.44 2cr9 n LYS 119 Cb 0.46 -0.39 0.05 0.00 0.02 0.00 0.00 35.03 35.16 2cr9 n LYS 119 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2cr9 n ASN 120 N -2.22 -5.40 -4.73 3.14 4.13 -1.26 -4.89 115.26 104.03 2cr9 n ASN 120 Ca -0.01 -0.95 -0.36 0.00 1.68 0.00 0.00 54.58 54.93 2cr9 n ASN 120 Cb 0.07 -3.74 0.07 0.00 -1.54 0.00 0.00 39.78 34.64 2cr9 n ASN 120 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 2cr9 s PHE 121 N -3.46 2.08 -0.22 3.10 5.36 -1.26 -5.01 117.98 118.57 2cr9 s PHE 121 Ca 0.45 1.52 0.01 0.00 -0.96 0.00 0.00 56.93 57.95 2cr9 s PHE 121 Cb -0.14 -3.63 0.03 0.00 -0.34 0.00 0.00 43.02 38.94 2cr9 s PHE 121 CO 0.84 -2.82 -0.14 0.99 -1.46 0.00 0.00 175.22 172.63 2cr9 s THR 122 N -1.55 2.27 -0.74 0.12 2.01 -1.26 -5.05 115.64 111.45 2cr9 s THR 122 Ca 0.80 -1.14 -0.26 0.00 0.31 0.00 0.00 61.69 61.41 2cr9 s THR 122 Cb -0.35 -2.11 -0.05 0.00 0.01 0.00 0.00 72.50 70.00 2cr9 s THR 122 CO 0.41 0.31 2.02 -0.75 -0.69 0.00 0.00 174.62 175.92 2cr9 s LYS 123 N 1.25 2.42 0.50 4.92 2.36 -1.26 -4.94 119.74 124.98 2cr9 s LYS 123 Ca 0.00 0.31 -0.02 0.00 -2.55 0.00 0.00 55.97 53.71 2cr9 s LYS 123 Cb -0.16 -4.73 -0.00 0.00 -1.05 0.00 0.00 37.83 31.89 2cr9 s LYS 123 CO -0.09 -3.26 0.75 0.71 1.55 0.00 0.00 175.35 175.01 2cr9 s TYR 124 N 10.50 3.25 -0.01 4.03 2.02 -1.26 -5.03 117.35 130.85 2cr9 s TYR 124 Ca 0.74 0.40 -0.30 0.00 -0.37 0.00 0.00 57.07 57.55 2cr9 s TYR 124 Cb -0.11 -2.45 -0.04 0.00 -0.40 0.00 0.00 41.96 38.96 2cr9 s TYR 124 CO 0.11 -0.51 1.20 -1.25 -1.57 0.00 0.00 175.55 173.53 2cr9 s PRO 125 N -4.71 4.39 0.00 -1.71 0.04 -1.26 -2.34 135.00 129.41 2cr9 s PRO 125 Ca 0.50 1.71 0.00 0.00 0.04 0.00 0.00 61.00 63.25 2cr9 s PRO 125 Cb -0.10 -3.47 0.00 0.00 0.04 0.00 0.00 34.50 30.96 2cr9 s PRO 125 CO 0.41 -0.36 0.00 1.63 0.04 0.00 0.00 177.00 178.72 2cr9 n LYS 126 N 4.66 -0.11 -3.33 4.56 5.02 -1.26 -4.97 118.16 122.72 2cr9 n LYS 126 Ca 0.10 0.03 -0.38 0.00 -2.02 0.00 0.00 58.31 56.04 2cr9 n LYS 126 Cb 0.46 -3.10 -0.06 0.00 -0.02 0.00 0.00 35.03 32.31 2cr9 n LYS 126 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2cr9 s LYS 127 N -0.30 4.32 0.39 1.97 -0.14 -0.99 -4.97 119.74 120.01 2cr9 s LYS 127 Ca 0.00 0.41 -0.26 0.00 -1.36 0.00 0.00 55.97 54.76 2cr9 s LYS 127 Cb 0.00 -3.44 -0.09 0.00 -1.68 0.00 0.00 37.83 32.62 2cr9 s LYS 127 CO 0.00 0.14 1.18 -0.06 -0.76 0.00 0.00 175.35 175.86 2cr9 s PHE 128 N 0.68 3.09 0.26 3.18 0.08 -0.95 -4.62 117.98 119.69 2cr9 s PHE 128 Ca 0.25 1.54 0.06 0.00 0.12 0.00 0.00 56.93 58.90 2cr9 s PHE 128 Cb -0.15 -3.43 -0.05 0.00 -0.57 0.00 0.00 43.02 38.82 2cr9 s PHE 128 CO 0.09 -1.36 -0.05 1.52 -0.10 0.00 0.00 175.22 175.32 2cr9 s TYR 129 N -1.37 1.81 -0.20 0.36 -0.85 -1.22 -3.53 117.35 112.36 2cr9 s TYR 129 Ca 0.55 -0.74 -0.29 0.00 -0.52 0.00 0.00 57.07 56.07 2cr9 s TYR 129 Cb -0.32 -1.01 -0.01 0.00 0.38 0.00 0.00 41.96 40.99 2cr9 s TYR 129 CO 0.40 0.20 1.29 -1.25 -1.52 0.00 0.00 175.55 174.68 2cr9 s PRO 130 N -3.75 4.14 0.03 -3.49 0.04 -1.26 -0.02 135.00 130.69 2cr9 s PRO 130 Ca 0.28 1.58 -0.20 0.00 0.04 0.00 0.00 61.00 62.70 2cr9 s PRO 130 Cb 0.04 -3.81 -0.17 0.00 0.04 0.00 0.00 34.50 30.60 2cr9 s PRO 130 CO 0.10 -0.83 1.25 -0.07 0.04 0.00 0.00 177.00 177.50 2cr9 h LEU 131 N 10.08 0.47 -7.83 -3.56 3.38 -1.25 -3.37 115.31 113.23 2cr9 h LEU 131 Ca -0.27 -0.59 -0.73 0.00 0.09 0.00 0.00 57.88 56.38 2cr9 h LEU 131 Cb 1.11 -0.14 -0.20 0.00 0.09 0.00 0.00 40.66 41.52 2cr9 h LEU 131 CO 0.99 0.98 0.84 -1.61 0.09 0.00 0.00 178.44 179.72 2cr9 s GLU 132 N -3.88 3.81 0.20 1.13 0.41 -1.26 -5.01 118.70 114.11 2cr9 s GLU 132 Ca -0.14 -2.27 -0.30 0.00 -0.41 0.00 0.00 54.97 51.85 2cr9 s GLU 132 Cb 0.05 -4.85 -0.09 0.00 -1.78 0.00 0.00 34.13 27.46 2cr9 s GLU 132 CO 0.79 -1.64 1.36 0.42 -0.49 0.00 0.00 175.26 175.70 2cr9 s ILE 133 N 1.55 3.05 -0.13 -1.63 -1.09 -1.26 -4.95 121.20 116.74 2cr9 s ILE 133 Ca 0.33 0.85 -0.08 0.00 -2.23 0.00 0.00 60.65 59.52 2cr9 s ILE 133 Cb -0.06 -3.54 -0.03 0.00 -1.58 0.00 0.00 42.46 37.25 2cr9 s ILE 133 CO -0.06 0.12 -0.11 -1.28 -1.23 0.00 0.00 174.94 172.38 2cr9 h SER 134 N 5.50 0.00 -4.85 3.58 0.87 -1.95 -3.50 113.55 113.20 2cr9 h SER 134 Ca -0.45 -0.03 -0.04 0.00 -1.23 0.00 0.00 61.79 60.04 2cr9 h SER 134 Cb 1.21 0.00 -0.20 0.00 -0.44 0.00 0.00 62.40 62.98 2cr9 h SER 134 CO 0.79 0.72 0.23 -0.83 -0.53 0.00 0.00 176.83 177.21 2cr9 s GLY 135 N -4.10 -0.54 -1.24 5.77 0.00 -1.26 -5.08 107.32 100.87 2cr9 s GLY 135 Ca -0.12 1.44 -0.20 0.00 0.00 0.00 0.00 44.72 45.84 2cr9 s GLY 135 CO 0.19 1.00 1.84 -1.55 0.00 0.00 0.00 173.10 174.58 2cr9 n PRO 136 N 0.97 2.42 -0.91 2.90 -0.04 -1.26 -4.86 135.00 134.22 2cr9 n PRO 136 Ca -0.18 -2.87 0.11 0.00 -0.04 0.00 0.00 63.50 60.52 2cr9 n PRO 136 Cb 0.57 -3.60 -0.03 0.00 -0.04 0.00 0.00 33.50 30.40 2cr9 n PRO 136 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2cr9 n SER 137 N 11.19 -5.08 0.00 3.54 7.64 -1.26 -5.01 113.62 124.64 2cr9 n SER 137 Ca 0.47 0.41 0.00 0.00 1.01 0.00 0.00 58.87 60.76 2cr9 n SER 137 Cb 0.46 -2.95 0.00 0.00 -1.01 0.00 0.00 64.21 60.71 2cr9 n SER 137 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2cr9 n SER 138 N -4.34 0.00 0.00 6.43 7.64 -1.26 -5.19 113.62 116.90 2cr9 n SER 138 Ca -0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2cr9 n SER 138 Cb 0.60 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.80 2cr9 n SER 138 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64