#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 -0.13 0.07 1.61 1.04 -1.26 -5.19 113.70 109.84 2cr9 s SER 2 Ca 0.00 -0.47 -0.27 0.00 0.48 0.00 0.00 55.95 55.69 2cr9 s SER 2 Cb 0.00 0.49 0.09 0.00 0.10 0.00 0.00 66.02 66.70 2cr9 s SER 2 CO 0.00 -0.93 0.88 -0.94 0.98 0.00 0.00 173.24 173.23 2cr9 s SER 3 N -3.04 -0.32 0.00 7.02 1.04 -1.26 -5.17 113.70 111.97 2cr9 s SER 3 Ca 0.14 -0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.43 2cr9 s SER 3 Cb -0.02 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.55 2cr9 s SER 3 CO 0.03 -0.76 0.00 0.61 0.98 0.00 0.00 173.24 174.10 2cr9 n GLY 4 N -0.33 4.06 0.00 7.32 0.00 -1.26 -5.19 105.19 109.79 2cr9 n GLY 4 Ca -0.09 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.61 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 -3.60 1.61 2.88 -1.26 -5.19 113.62 108.06 2cr9 n SER 5 Ca 0.00 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.55 2cr9 n SER 5 Cb 0.00 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.45 2cr9 n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2cr9 s SER 6 N 0.00 -0.05 -0.30 -3.46 0.01 -1.26 -5.15 113.70 103.49 2cr9 s SER 6 Ca 0.00 -0.06 -0.16 0.00 1.31 0.00 0.00 55.95 57.04 2cr9 s SER 6 Cb 0.00 0.09 0.18 0.00 0.21 0.00 0.00 66.02 66.50 2cr9 s SER 6 CO 0.00 -0.17 1.17 -0.83 0.41 0.00 0.00 173.24 173.82 2cr9 s GLY 7 N -2.72 -0.50 0.65 3.44 0.00 -1.26 -5.18 107.32 101.76 2cr9 s GLY 7 Ca 0.13 2.70 0.04 0.00 0.00 0.00 0.00 44.72 47.59 2cr9 s GLY 7 CO -0.05 4.08 0.90 0.54 0.00 0.00 0.00 173.10 178.57 2cr9 s LYS 8 N 2.98 1.98 0.20 2.90 3.01 -1.26 -5.13 119.74 124.42 2cr9 s LYS 8 Ca 0.12 -1.32 0.01 0.00 -1.01 0.00 0.00 55.97 53.77 2cr9 s LYS 8 Cb -0.04 -2.47 -0.05 0.00 -1.01 0.00 0.00 37.83 34.26 2cr9 s LYS 8 CO -0.15 -1.16 0.05 0.45 0.51 0.00 0.00 175.35 175.05 2cr9 s SER 9 N -4.69 1.04 0.25 2.83 0.15 -1.26 -5.17 113.70 106.86 2cr9 s SER 9 Ca 0.64 -1.27 -0.22 0.00 0.70 0.00 0.00 55.95 55.80 2cr9 s SER 9 Cb -0.06 0.17 0.03 0.00 -1.71 0.00 0.00 66.02 64.45 2cr9 s SER 9 CO 0.42 -0.66 0.76 -1.83 1.20 0.00 0.00 173.24 173.13 2cr9 s GLU 10 N -3.99 1.67 0.00 5.44 1.03 -1.26 -5.18 118.70 116.41 2cr9 s GLU 10 Ca 0.30 -0.92 0.00 0.00 0.03 0.00 0.00 54.97 54.38 2cr9 s GLU 10 Cb 0.07 0.57 0.00 0.00 -0.80 0.00 0.00 34.13 33.97 2cr9 s GLU 10 CO 0.08 -0.77 0.00 1.63 -1.33 0.00 0.00 175.26 174.87 2cr9 n LYS 11 N -0.46 0.00 -3.74 -4.83 5.02 -1.26 -5.19 118.16 107.70 2cr9 n LYS 11 Ca -0.05 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.16 2cr9 n LYS 11 Cb 0.59 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.58 2cr9 n LYS 11 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2cr9 s ARG 12 N -1.76 1.58 0.12 1.97 3.00 -1.26 -5.19 118.95 117.41 2cr9 s ARG 12 Ca 0.00 -0.85 -0.26 0.00 -1.00 0.00 0.00 55.73 53.62 2cr9 s ARG 12 Cb 0.00 0.58 0.07 0.00 0.00 0.00 0.00 34.95 35.61 2cr9 s ARG 12 CO 0.00 -0.71 1.00 -1.64 0.00 0.00 0.00 175.30 173.96 2cr9 s MET 13 N -3.87 1.05 0.27 5.12 -1.94 -1.26 -5.18 119.30 113.49 2cr9 s MET 13 Ca 0.09 -0.57 0.09 0.00 -1.71 0.00 0.00 55.69 53.59 2cr9 s MET 13 Cb -0.04 0.37 -0.04 0.00 2.01 0.00 0.00 34.83 37.13 2cr9 s MET 13 CO 0.00 -0.48 0.03 0.15 -0.01 0.00 0.00 175.02 174.71 2cr9 s LYS 14 N -3.15 2.36 -0.29 2.03 3.01 -1.26 -5.13 119.74 117.32 2cr9 s LYS 14 Ca 0.12 -1.39 -0.24 0.00 -1.01 0.00 0.00 55.97 53.45 2cr9 s LYS 14 Cb -0.00 -2.20 0.16 0.00 -1.01 0.00 0.00 37.83 34.78 2cr9 s LYS 14 CO 0.01 0.35 1.25 -1.17 0.51 0.00 0.00 175.35 176.30 2cr9 s LEU 15 N -3.70 -0.23 0.02 3.17 2.96 -1.26 -5.17 118.68 114.47 2cr9 s LEU 15 Ca 0.32 0.43 0.01 0.00 -0.22 0.00 0.00 54.13 54.66 2cr9 s LEU 15 Cb -0.06 1.43 -0.04 0.00 0.50 0.00 0.00 46.19 48.02 2cr9 s LEU 15 CO 0.21 -0.07 0.08 0.28 -1.32 0.00 0.00 176.35 175.52 2cr9 s THR 16 N 0.23 4.66 0.03 3.68 -1.32 -1.26 -5.11 115.64 116.54 2cr9 s THR 16 Ca 0.04 -0.52 0.08 0.00 -1.21 0.00 0.00 61.69 60.09 2cr9 s THR 16 Cb -0.05 -3.16 -0.03 0.00 -1.51 0.00 0.00 72.50 67.75 2cr9 s THR 16 CO -0.12 0.29 -0.24 -0.22 -2.21 0.00 0.00 174.62 172.11 2cr9 s LEU 17 N -1.92 2.24 0.11 9.08 1.98 -1.26 -5.13 118.68 123.78 2cr9 s LEU 17 Ca 0.25 -0.53 -0.13 0.00 -2.89 0.00 0.00 54.13 50.83 2cr9 s LEU 17 Cb -0.12 -1.34 0.02 0.00 0.66 0.00 0.00 46.19 45.40 2cr9 s LEU 17 CO 0.16 0.27 0.31 -0.75 -1.89 0.00 0.00 176.35 174.45 2cr9 s LYS 18 N -1.14 0.96 0.00 1.98 2.20 -1.26 -4.97 119.74 117.51 2cr9 s LYS 18 Ca 0.12 -0.81 0.00 0.00 -0.36 0.00 0.00 55.97 54.92 2cr9 s LYS 18 Cb -0.10 0.41 0.00 0.00 -1.51 0.00 0.00 37.83 36.63 2cr9 s LYS 18 CO 0.02 -0.35 0.00 0.41 -0.36 0.00 0.00 175.35 175.07 2cr9 n GLY 19 N -0.13 0.95 3.43 5.54 0.00 -1.26 -5.12 105.19 108.60 2cr9 n GLY 19 Ca -0.16 -0.07 -0.41 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.71 3.78 -0.02 0.00 -1.26 -4.93 105.19 101.05 2cr9 n GLY 20 Ca 0.00 0.02 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.53 2.05 0.19 4.61 0.00 -1.26 -4.98 121.76 120.85 2cr9 s ALA 21 Ca 0.63 -0.19 -0.25 0.00 0.00 0.00 0.00 51.96 52.15 2cr9 s ALA 21 Cb -0.60 -3.12 -0.08 0.00 0.00 0.00 0.00 23.12 19.32 2cr9 s ALA 21 CO 0.59 -1.91 0.79 0.00 0.00 0.00 0.00 175.76 175.23 2cr9 s ALA 22 N -3.11 3.42 0.27 0.00 0.00 -1.26 -3.91 121.76 117.16 2cr9 s ALA 22 Ca 0.62 0.36 0.01 0.00 0.00 0.00 0.00 51.96 52.95 2cr9 s ALA 22 Cb -0.15 -2.97 -0.04 0.00 0.00 0.00 0.00 23.12 19.96 2cr9 s ALA 22 CO 0.55 0.28 0.44 0.08 0.00 0.00 0.00 175.76 177.11 2cr9 s VAL 23 N -1.25 5.18 0.26 0.00 1.01 -1.26 -4.82 120.40 119.52 2cr9 s VAL 23 Ca 0.38 -0.57 -0.16 0.00 0.00 0.00 0.00 61.98 61.63 2cr9 s VAL 23 Cb -0.22 -3.82 -0.08 0.00 0.00 0.00 0.00 36.38 32.26 2cr9 s VAL 23 CO 0.26 -0.36 0.70 -1.81 0.00 0.00 0.00 175.10 173.89 2cr9 s ASP 24 N -3.71 6.87 0.50 3.32 1.01 -1.26 -4.83 116.67 118.56 2cr9 s ASP 24 Ca 0.38 1.28 0.28 0.00 0.71 0.00 0.00 52.55 55.20 2cr9 s ASP 24 Cb -0.10 -2.37 0.86 0.00 1.01 0.00 0.00 42.92 42.33 2cr9 s ASP 24 CO 0.32 -0.08 1.80 1.55 0.21 0.00 0.00 175.17 178.96 2cr9 h PRO 25 N 2.81 0.00 0.00 8.23 0.13 -1.98 -2.62 132.00 138.57 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 0.66 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.18 2cr9 n ASP 26 N -3.10 0.72 0.08 1.44 8.00 -1.26 -2.53 116.55 119.91 2cr9 n ASP 26 Ca 0.02 0.62 -0.11 0.00 0.71 0.00 0.00 54.79 56.04 2cr9 n ASP 26 Cb 0.42 -0.80 -0.10 0.00 -0.02 0.00 0.00 41.12 40.62 2cr9 n ASP 26 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 2cr9 h SER 27 N 0.00 0.23 0.00 -2.24 4.64 -1.87 -3.47 113.55 110.83 2cr9 h SER 27 Ca 0.00 -0.23 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 2cr9 h SER 27 Cb 0.53 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 2cr9 h SER 27 CO 0.00 1.14 0.00 0.61 -0.87 0.00 0.00 176.83 177.71 2cr9 n GLY 28 N 1.29 2.36 1.42 -0.77 0.00 -1.05 -4.80 105.19 103.64 2cr9 n GLY 28 Ca -0.04 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.07 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 4.48 0.23 0.99 7.99 -1.26 -4.40 117.00 125.03 2cr9 n LEU 29 Ca 0.00 -2.44 0.07 0.00 -0.01 0.00 0.00 56.01 53.64 2cr9 n LEU 29 Cb 0.00 -0.54 0.61 0.00 -0.11 0.00 0.00 43.42 43.39 2cr9 n LEU 29 CO 0.00 0.80 1.08 1.05 -1.51 0.00 0.00 177.39 178.81 2cr9 h GLU 30 N 3.68 0.06 -0.06 3.23 4.11 -1.75 1.07 114.58 124.93 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 1.36 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.60 2cr9 h GLU 30 CO 0.20 0.04 0.00 -2.39 0.07 0.00 0.00 179.01 176.93 2cr9 n HIS 31 N -4.53 0.09 0.04 2.06 1.44 -1.26 -4.73 115.22 108.33 2cr9 n HIS 31 Ca -0.02 -0.59 0.00 0.00 -2.01 0.00 0.00 57.72 55.10 2cr9 n HIS 31 Cb 0.09 -0.07 0.00 0.00 0.12 0.00 0.00 29.99 30.13 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 -0.51 0.73 -4.90 4.39 2.88 -0.60 -5.10 113.62 110.51 2cr9 n SER 32 Ca 0.05 0.11 -0.25 0.00 -1.33 0.00 0.00 58.87 57.45 2cr9 n SER 32 Cb 0.35 -0.21 -0.01 0.00 -0.75 0.00 0.00 64.21 63.60 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 4.36 0.07 -1.46 0.00 0.36 -3.96 121.76 119.13 2cr9 s ALA 33 Ca 0.00 -1.46 -0.06 0.00 0.00 0.00 0.00 51.96 50.44 2cr9 s ALA 33 Cb 0.00 -0.80 -0.01 0.00 0.00 0.00 0.00 23.12 22.30 2cr9 s ALA 33 CO 0.00 -0.43 0.12 -3.38 0.00 0.00 0.00 175.76 172.07 2cr9 s HIS 34 N -2.71 0.23 0.14 0.00 -3.43 0.83 -4.33 115.29 106.01 2cr9 s HIS 34 Ca 0.38 -0.64 -0.35 0.00 -0.80 0.00 0.00 55.06 53.65 2cr9 s HIS 34 Cb -0.02 -0.14 -0.15 0.00 -1.43 0.00 0.00 32.58 30.83 2cr9 s HIS 34 CO 0.23 -0.46 1.37 0.28 -2.00 0.00 0.00 174.74 174.16 2cr9 n VAL 35 N 0.20 0.28 -1.44 -5.38 0.31 -1.25 0.20 118.33 111.24 2cr9 n VAL 35 Ca -0.16 -0.07 -0.33 0.00 -0.01 0.00 0.00 64.34 63.77 2cr9 n VAL 35 Cb 0.61 -1.07 0.09 0.00 -0.91 0.00 0.00 33.84 32.55 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 0.58 3.25 -0.08 7.52 2.96 0.53 -4.58 118.68 128.87 2cr9 s LEU 36 Ca 0.79 2.15 -0.03 0.00 -0.22 0.00 0.00 54.13 56.81 2cr9 s LEU 36 Cb -0.83 -4.57 0.04 0.00 0.50 0.00 0.00 46.19 41.33 2cr9 s LEU 36 CO 0.46 -2.11 0.17 -1.61 -1.32 0.00 0.00 176.35 171.94 2cr9 s GLU 37 N -4.18 0.11 -0.04 1.98 2.02 -1.26 -2.05 118.70 115.29 2cr9 s GLU 37 Ca 0.69 0.43 -0.08 0.00 0.02 0.00 0.00 54.97 56.03 2cr9 s GLU 37 Cb -0.24 -0.17 0.01 0.00 0.10 0.00 0.00 34.13 33.83 2cr9 s GLU 37 CO 0.47 -0.18 0.19 0.21 0.02 0.00 0.00 175.26 175.97 2cr9 s LYS 38 N 1.30 0.39 -1.38 1.61 2.20 -0.89 -4.90 119.74 118.07 2cr9 s LYS 38 Ca -0.08 -0.06 -0.01 0.00 -0.36 0.00 0.00 55.97 55.47 2cr9 s LYS 38 Cb -0.11 0.17 -0.00 0.00 -1.51 0.00 0.00 37.83 36.38 2cr9 s LYS 38 CO -0.07 -0.08 0.47 0.41 -0.36 0.00 0.00 175.35 175.72 2cr9 n GLY 39 N 2.14 -0.25 4.13 5.54 0.00 -1.26 -0.43 105.19 115.06 2cr9 n GLY 39 Ca -0.18 0.15 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.92 -0.46 3.30 -0.02 0.00 -1.26 -4.94 105.19 99.90 2cr9 n GLY 40 Ca -0.31 0.15 -0.16 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 -6.83 1.34 -0.05 1.61 -0.14 0.42 -4.99 119.74 111.10 2cr9 s LYS 41 Ca 0.71 -1.71 0.06 0.00 -1.36 0.00 0.00 55.97 53.67 2cr9 s LYS 41 Cb -0.38 -0.28 -0.01 0.00 -1.68 0.00 0.00 37.83 35.48 2cr9 s LYS 41 CO 0.90 -0.25 -0.24 0.08 -0.76 0.00 0.00 175.35 175.08 2cr9 s VAL 42 N -3.72 1.91 -0.60 3.17 1.01 -1.26 -2.09 120.40 118.83 2cr9 s VAL 42 Ca 0.34 -1.00 -0.07 0.00 0.00 0.00 0.00 61.98 61.26 2cr9 s VAL 42 Cb 0.07 -1.62 -0.14 0.00 0.00 0.00 0.00 36.38 34.70 2cr9 s VAL 42 CO 0.11 0.54 3.21 0.49 0.00 0.00 0.00 175.10 179.45 2cr9 n PHE 43 N 2.86 1.10 -3.76 5.22 3.01 -0.87 -4.72 117.46 120.30 2cr9 n PHE 43 Ca -0.17 -2.09 -0.30 0.00 1.01 0.00 0.00 57.45 55.90 2cr9 n PHE 43 Cb 0.52 -1.81 -0.15 0.00 -0.01 0.00 0.00 39.48 38.03 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 1.62 4.05 -0.12 4.37 0.15 -1.26 -2.20 113.70 120.32 2cr9 s SER 44 Ca 0.65 -1.87 0.03 0.00 0.70 0.00 0.00 55.95 55.46 2cr9 s SER 44 Cb 0.28 -0.98 0.01 0.00 -1.71 0.00 0.00 66.02 63.62 2cr9 s SER 44 CO -0.06 -0.39 -0.22 0.00 1.20 0.00 0.00 173.24 173.77 2cr9 s ALA 45 N 1.31 2.16 -0.49 5.45 0.00 -0.83 -5.04 121.76 124.33 2cr9 s ALA 45 Ca 0.11 -1.01 -0.16 0.00 0.00 0.00 0.00 51.96 50.90 2cr9 s ALA 45 Cb -0.19 -0.90 0.08 0.00 0.00 0.00 0.00 23.12 22.11 2cr9 s ALA 45 CO -0.19 0.10 0.45 0.99 0.00 0.00 0.00 175.76 177.11 2cr9 s THR 46 N 0.63 5.18 0.49 0.00 2.01 -1.26 -1.80 115.64 120.89 2cr9 s THR 46 Ca -0.12 -1.06 -0.12 0.00 0.31 0.00 0.00 61.69 60.70 2cr9 s THR 46 Cb -0.16 -4.19 -0.06 0.00 0.01 0.00 0.00 72.50 68.10 2cr9 s THR 46 CO 0.03 -0.66 0.89 -0.76 -0.69 0.00 0.00 174.62 173.43 2cr9 s LEU 47 N 1.78 3.63 -0.28 4.42 1.02 0.19 0.09 118.68 129.53 2cr9 s LEU 47 Ca 0.05 1.31 -0.02 0.00 0.02 0.00 0.00 54.13 55.49 2cr9 s LEU 47 Cb -0.24 -4.25 0.17 0.00 0.02 0.00 0.00 46.19 41.88 2cr9 s LEU 47 CO 0.07 -0.57 0.53 -0.83 0.02 0.00 0.00 176.35 175.57 2cr9 s GLY 48 N -3.42 -0.78 -0.02 -3.19 0.00 0.12 -1.39 107.32 98.63 2cr9 s GLY 48 Ca 0.54 1.60 0.08 0.00 0.00 0.00 0.00 44.72 46.94 2cr9 s GLY 48 CO 0.37 3.11 -0.25 -2.27 0.00 0.00 0.00 173.10 174.06 2cr9 s LEU 49 N 2.76 2.11 -0.07 0.66 1.98 -0.74 -3.80 118.68 121.58 2cr9 s LEU 49 Ca 0.16 -0.45 -0.05 0.00 -2.89 0.00 0.00 54.13 50.90 2cr9 s LEU 49 Cb -0.15 -1.36 0.03 0.00 0.66 0.00 0.00 46.19 45.37 2cr9 s LEU 49 CO -0.19 0.32 0.17 0.54 -1.89 0.00 0.00 176.35 175.30 2cr9 s VAL 50 N -0.60 -0.03 0.04 1.68 0.11 -1.26 0.29 120.40 120.63 2cr9 s VAL 50 Ca 0.09 0.10 -0.21 0.00 -2.93 0.00 0.00 61.98 59.03 2cr9 s VAL 50 Cb -0.10 -0.27 -0.06 0.00 -1.53 0.00 0.00 36.38 34.42 2cr9 s VAL 50 CO -0.01 0.04 0.61 -0.62 -3.33 0.00 0.00 175.10 171.79 2cr9 s ASP 51 N 0.73 7.05 -0.06 3.54 -1.08 0.35 -4.95 116.67 122.24 2cr9 s ASP 51 Ca -0.05 1.25 0.07 0.00 -0.52 0.00 0.00 52.55 53.29 2cr9 s ASP 51 Cb -0.07 -2.38 -0.24 0.00 -1.46 0.00 0.00 42.92 38.77 2cr9 s ASP 51 CO -0.04 0.16 0.59 0.00 0.52 0.00 0.00 175.17 176.40 2cr9 n ILE 52 N 2.33 1.66 -0.05 4.11 3.06 -1.26 -2.63 119.36 126.58 2cr9 n ILE 52 Ca -0.08 -0.76 -0.01 0.00 -2.50 0.00 0.00 62.75 59.40 2cr9 n ILE 52 Cb 0.51 -1.24 -0.00 0.00 0.54 0.00 0.00 39.64 39.44 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 0.02 0.00 0.00 9.51 2.07 -1.97 -3.31 116.25 122.57 2cr9 h VAL 53 Ca -0.32 -0.90 0.00 0.00 0.82 0.00 0.00 66.70 66.30 2cr9 h VAL 53 Cb 2.02 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.79 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 -4.45 0.15 -3.15 1.57 4.76 -1.26 -4.82 118.16 110.95 2cr9 n LYS 54 Ca -0.02 0.57 -0.23 0.00 -2.87 0.00 0.00 58.31 55.77 2cr9 n LYS 54 Cb 0.08 -1.93 0.02 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 -0.93 -0.51 3.26 0.72 0.00 -1.08 -4.96 105.19 101.69 2cr9 n GLY 55 Ca -0.00 0.12 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.09 2.91 0.07 2.61 -4.23 -1.12 -4.91 115.64 107.88 2cr9 s THR 56 Ca 0.34 -0.66 -0.11 0.00 -1.18 0.00 0.00 61.69 60.08 2cr9 s THR 56 Cb -0.16 -2.28 -0.06 0.00 1.34 0.00 0.00 72.50 71.34 2cr9 s THR 56 CO 0.42 0.48 0.41 0.20 -0.54 0.00 0.00 174.62 175.59 2cr9 s ASN 57 N 1.23 6.68 0.10 3.99 -0.87 -1.26 0.13 114.94 124.95 2cr9 s ASN 57 Ca 0.03 0.84 0.00 0.00 -1.57 0.00 0.00 52.86 52.16 2cr9 s ASN 57 Cb -0.14 -2.20 -0.04 0.00 -0.02 0.00 0.00 41.25 38.85 2cr9 s ASN 57 CO -0.05 0.19 -0.02 -0.55 -2.57 0.00 0.00 177.10 174.10 2cr9 s SER 58 N -1.65 0.82 -0.19 -1.22 0.15 0.85 -2.72 113.70 109.74 2cr9 s SER 58 Ca 0.32 -1.07 -0.07 0.00 0.70 0.00 0.00 55.95 55.83 2cr9 s SER 58 Cb -0.14 0.16 0.09 0.00 -1.71 0.00 0.00 66.02 64.42 2cr9 s SER 58 CO 0.17 -0.57 0.41 -0.72 1.20 0.00 0.00 173.24 173.74 2cr9 s TYR 59 N -3.79 -0.78 0.14 3.44 -0.85 -0.54 -1.79 117.35 113.19 2cr9 s TYR 59 Ca 0.15 1.50 0.08 0.00 -0.52 0.00 0.00 57.07 58.27 2cr9 s TYR 59 Cb 0.07 0.29 -0.04 0.00 0.38 0.00 0.00 41.96 42.66 2cr9 s TYR 59 CO -0.04 -0.47 -0.10 -0.47 -1.52 0.00 0.00 175.55 172.95 2cr9 s TYR 60 N 2.56 2.68 -0.04 -3.49 5.04 -0.49 -2.92 117.35 120.70 2cr9 s TYR 60 Ca -0.02 -0.19 0.01 0.00 -2.44 0.00 0.00 57.07 54.43 2cr9 s TYR 60 Cb -0.12 -1.36 0.02 0.00 0.35 0.00 0.00 41.96 40.86 2cr9 s TYR 60 CO -0.13 0.47 -0.02 0.15 -1.34 0.00 0.00 175.55 174.67 2cr9 s LYS 61 N -2.52 0.59 -0.13 4.97 -0.14 -0.97 0.54 119.74 122.08 2cr9 s LYS 61 Ca 0.23 -0.03 0.02 0.00 -1.36 0.00 0.00 55.97 54.83 2cr9 s LYS 61 Cb -0.10 -0.67 0.01 0.00 -1.68 0.00 0.00 37.83 35.39 2cr9 s LYS 61 CO 0.14 -0.10 -0.18 -1.17 -0.76 0.00 0.00 175.35 173.28 2cr9 s LEU 62 N 0.95 1.88 -0.05 3.17 2.96 -0.74 -1.04 118.68 125.80 2cr9 s LEU 62 Ca -0.11 -0.52 -0.02 0.00 -0.22 0.00 0.00 54.13 53.27 2cr9 s LEU 62 Cb -0.14 -1.26 0.04 0.00 0.50 0.00 0.00 46.19 45.33 2cr9 s LEU 62 CO -0.01 0.03 0.11 -1.10 -1.32 0.00 0.00 176.35 174.06 2cr9 s GLN 63 N 1.02 0.04 -0.46 1.98 -0.21 -1.09 -1.97 119.66 118.97 2cr9 s GLN 63 Ca -0.04 0.32 -0.14 0.00 0.02 0.00 0.00 55.36 55.52 2cr9 s GLN 63 Cb -0.15 -0.21 0.08 0.00 1.00 0.00 0.00 33.01 33.73 2cr9 s GLN 63 CO -0.04 -0.18 0.37 -1.17 -2.12 0.00 0.00 175.29 172.16 2cr9 s LEU 64 N 1.20 5.56 0.13 2.90 2.96 -0.93 -1.91 118.68 128.58 2cr9 s LEU 64 Ca -0.08 -1.43 -0.30 0.00 -0.22 0.00 0.00 54.13 52.09 2cr9 s LEU 64 Cb -0.12 -2.13 -0.06 0.00 0.50 0.00 0.00 46.19 44.38 2cr9 s LEU 64 CO -0.05 -0.64 0.99 -0.76 -1.32 0.00 0.00 176.35 174.57 2cr9 s LEU 65 N 1.57 4.50 0.01 -0.68 1.43 -1.05 0.20 118.68 124.66 2cr9 s LEU 65 Ca 0.04 1.86 0.07 0.00 -1.03 0.00 0.00 54.13 55.07 2cr9 s LEU 65 Cb -0.25 -3.59 -0.02 0.00 0.03 0.00 0.00 46.19 42.36 2cr9 s LEU 65 CO 0.05 -0.09 -0.22 -0.70 0.23 0.00 0.00 176.35 175.61 2cr9 s GLU 66 N -0.09 1.67 0.67 1.70 2.12 0.53 -2.12 118.70 123.17 2cr9 s GLU 66 Ca 0.47 -0.86 -0.17 0.00 0.36 0.00 0.00 54.97 54.77 2cr9 s GLU 66 Cb -0.25 -1.69 0.00 0.00 0.26 0.00 0.00 34.13 32.46 2cr9 s GLU 66 CO 0.31 0.45 1.26 -3.47 -0.54 0.00 0.00 175.26 173.27 2cr9 n ASP 67 N 2.28 1.85 -0.30 -1.70 2.03 0.17 -0.12 116.55 120.77 2cr9 n ASP 67 Ca -0.16 0.79 0.06 0.00 0.52 0.00 0.00 54.79 56.00 2cr9 n ASP 67 Cb 0.53 -1.54 0.13 0.00 -0.72 0.00 0.00 41.12 39.51 2cr9 n ASP 67 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2cr9 n ASP 68 N -2.04 -0.28 0.00 1.67 8.00 -1.25 -3.75 116.55 118.90 2cr9 n ASP 68 Ca 0.16 1.41 0.00 0.00 0.71 0.00 0.00 54.79 57.07 2cr9 n ASP 68 Cb 0.48 -0.44 0.00 0.00 -0.02 0.00 0.00 41.12 41.15 2cr9 n ASP 68 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2cr9 n LYS 69 N -5.33 0.00 0.00 -1.24 5.02 -1.26 -5.02 118.16 110.33 2cr9 n LYS 69 Ca 0.14 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.43 2cr9 n LYS 69 Cb 0.43 -0.01 0.00 0.00 -0.02 0.00 0.00 35.03 35.44 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 -0.07 0.00 0.00 1.97 0.28 -1.25 -5.04 120.64 116.53 2cr9 n GLU 70 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 2cr9 n GLU 70 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 2cr9 n GLU 70 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 2cr9 n ASN 71 N 0.00 0.00 -4.51 -1.84 2.85 -1.26 -5.03 115.26 105.47 2cr9 n ASN 71 Ca 0.00 0.00 -0.33 0.00 -0.11 0.00 0.00 54.58 54.14 2cr9 n ASN 71 Cb 0.00 0.13 -0.12 0.00 1.24 0.00 0.00 39.78 41.03 2cr9 n ASN 71 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 2cr9 s ARG 72 N -1.42 3.01 0.10 1.20 0.52 -1.26 -4.71 118.95 116.39 2cr9 s ARG 72 Ca 0.00 -0.59 -0.06 0.00 -0.52 0.00 0.00 55.73 54.56 2cr9 s ARG 72 Cb 0.00 -2.63 -0.01 0.00 0.52 0.00 0.00 34.95 32.83 2cr9 s ARG 72 CO 0.00 0.49 0.14 0.71 0.02 0.00 0.00 175.30 176.67 2cr9 s TYR 73 N -0.36 0.33 0.12 -0.53 1.51 -1.26 0.43 117.35 117.60 2cr9 s TYR 73 Ca 0.05 -0.77 0.01 0.00 -1.01 0.00 0.00 57.07 55.34 2cr9 s TYR 73 Cb -0.12 -0.17 -0.04 0.00 -0.11 0.00 0.00 41.96 41.52 2cr9 s TYR 73 CO 0.02 -0.53 -0.02 -1.58 -1.11 0.00 0.00 175.55 172.33 2cr9 s TRP 74 N -3.91 0.93 -0.31 2.71 0.51 -0.90 0.72 118.94 118.69 2cr9 s TRP 74 Ca 0.09 -1.02 0.03 0.00 -2.12 0.00 0.00 56.10 53.08 2cr9 s TRP 74 Cb 0.06 -0.54 0.09 0.00 -0.81 0.00 0.00 33.47 32.26 2cr9 s TRP 74 CO -0.08 -0.26 0.00 0.42 -0.51 0.00 0.00 176.95 176.53 2cr9 s ILE 75 N -3.74 2.08 -0.04 2.03 -1.09 0.84 -2.52 121.20 118.76 2cr9 s ILE 75 Ca 0.17 -2.00 -0.19 0.00 -2.23 0.00 0.00 60.65 56.40 2cr9 s ILE 75 Cb 0.06 -2.43 -0.05 0.00 -1.58 0.00 0.00 42.46 38.46 2cr9 s ILE 75 CO -0.02 -0.42 0.53 0.12 -1.23 0.00 0.00 174.94 173.92 2cr9 s PHE 76 N 1.05 3.64 -0.12 3.97 5.36 -0.81 -2.53 117.98 128.54 2cr9 s PHE 76 Ca 0.04 1.07 -0.04 0.00 -0.96 0.00 0.00 56.93 57.04 2cr9 s PHE 76 Cb -0.19 -2.54 0.06 0.00 -0.34 0.00 0.00 43.02 40.01 2cr9 s PHE 76 CO -0.08 0.34 0.18 1.03 -1.46 0.00 0.00 175.22 175.23 2cr9 s ARG 77 N -0.08 0.08 0.27 10.12 0.52 0.40 -2.67 118.95 127.58 2cr9 s ARG 77 Ca 0.28 0.45 0.09 0.00 -0.52 0.00 0.00 55.73 56.03 2cr9 s ARG 77 Cb -0.17 -0.59 -0.04 0.00 0.52 0.00 0.00 34.95 34.67 2cr9 s ARG 77 CO 0.14 -0.41 0.07 -1.54 0.02 0.00 0.00 175.30 173.59 2cr9 s SER 78 N 2.30 4.87 -0.17 0.23 1.04 -0.21 0.15 113.70 121.90 2cr9 s SER 78 Ca 0.04 -0.54 -0.31 0.00 0.48 0.00 0.00 55.95 55.62 2cr9 s SER 78 Cb -0.13 -1.01 0.14 0.00 0.10 0.00 0.00 66.02 65.12 2cr9 s SER 78 CO -0.08 -0.04 1.13 -1.66 0.98 0.00 0.00 173.24 173.57 2cr9 s TRP 79 N -2.28 -0.21 0.00 5.02 -2.14 -0.57 -2.30 118.94 116.47 2cr9 s TRP 79 Ca 0.33 0.26 0.00 0.00 2.66 0.00 0.00 56.10 59.35 2cr9 s TRP 79 Cb -0.06 0.49 0.00 0.00 -3.10 0.00 0.00 33.47 30.80 2cr9 s TRP 79 CO 0.22 -0.26 0.00 0.41 -2.66 0.00 0.00 176.95 174.66 2cr9 n GLY 80 N 0.26 2.55 3.84 3.67 0.00 -1.15 -2.15 105.19 112.21 2cr9 n GLY 80 Ca -0.04 -1.07 -0.31 0.00 0.00 0.00 0.00 46.02 44.59 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 -2.03 3.35 0.34 1.61 0.52 -1.26 -1.46 118.95 120.02 2cr9 s ARG 81 Ca 0.00 0.91 -0.16 0.00 -0.52 0.00 0.00 55.73 55.96 2cr9 s ARG 81 Cb 0.00 -2.05 -0.09 0.00 0.52 0.00 0.00 34.95 33.33 2cr9 s ARG 81 CO 0.00 -0.77 0.77 0.08 0.02 0.00 0.00 175.30 175.40 2cr9 s VAL 82 N -2.98 4.63 0.00 3.52 1.01 -1.10 -4.22 120.40 121.26 2cr9 s VAL 82 Ca 0.58 1.04 0.00 0.00 0.00 0.00 0.00 61.98 63.59 2cr9 s VAL 82 Cb -0.13 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.64 2cr9 s VAL 82 CO 0.50 -0.20 0.00 0.61 0.00 0.00 0.00 175.10 176.01 2cr9 n GLY 83 N -0.39 1.08 3.04 4.51 0.00 -1.26 -4.90 105.19 107.27 2cr9 n GLY 83 Ca 0.04 -0.02 -0.23 0.00 0.00 0.00 0.00 46.02 45.81 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 0.00 0.00 0.61 2.61 -2.24 -1.26 -4.90 114.28 109.10 2cr9 n THR 84 Ca 0.00 -0.09 0.11 0.00 -2.27 0.00 0.00 64.05 61.80 2cr9 n THR 84 Cb 0.00 -0.37 -0.02 0.00 -2.10 0.00 0.00 70.33 67.84 2cr9 n THR 84 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 2cr9 n VAL 85 N -4.08 0.11 -1.66 2.28 0.24 -1.26 -4.93 118.33 109.03 2cr9 n VAL 85 Ca 0.02 -0.21 -0.49 0.00 -2.04 0.00 0.00 64.34 61.62 2cr9 n VAL 85 Cb 0.45 0.34 -0.05 0.00 -1.47 0.00 0.00 33.84 33.11 2cr9 n VAL 85 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 2cr9 n ILE 86 N -1.88 0.16 -3.23 1.34 5.41 -1.26 -4.94 119.36 114.95 2cr9 n ILE 86 Ca 0.02 -0.03 0.03 0.00 1.00 0.00 0.00 62.75 63.77 2cr9 n ILE 86 Cb 0.43 -1.42 -0.02 0.00 -0.71 0.00 0.00 39.64 37.92 2cr9 n ILE 86 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 2cr9 s GLY 87 N 1.75 -0.83 0.04 7.39 0.00 -1.26 -4.05 107.32 110.36 2cr9 s GLY 87 Ca 0.85 2.11 0.05 0.00 0.00 0.00 0.00 44.72 47.73 2cr9 s GLY 87 CO 0.45 3.40 -0.14 -0.56 0.00 0.00 0.00 173.10 176.25 2cr9 s SER 88 N 2.86 1.63 0.19 1.64 0.01 -0.91 -5.04 113.70 114.07 2cr9 s SER 88 Ca 0.13 -0.47 0.03 0.00 1.31 0.00 0.00 55.95 56.94 2cr9 s SER 88 Cb -0.13 -0.09 -0.05 0.00 0.21 0.00 0.00 66.02 65.95 2cr9 s SER 88 CO -0.19 0.01 -0.02 0.54 0.41 0.00 0.00 173.24 174.00 2cr9 s ASN 89 N -1.21 1.49 -0.03 2.44 4.22 -1.26 -1.51 114.94 119.09 2cr9 s ASN 89 Ca 0.01 -1.16 0.02 0.00 -2.14 0.00 0.00 52.86 49.59 2cr9 s ASN 89 Cb -0.08 0.06 0.00 0.00 1.28 0.00 0.00 41.25 42.52 2cr9 s ASN 89 CO 0.01 -0.52 -0.09 -0.75 -2.04 0.00 0.00 177.10 173.72 2cr9 s LYS 90 N -3.87 0.95 -0.07 3.55 2.20 0.39 -4.94 119.74 117.95 2cr9 s LYS 90 Ca 0.24 -0.29 0.01 0.00 -0.36 0.00 0.00 55.97 55.56 2cr9 s LYS 90 Cb 0.05 -0.89 0.02 0.00 -1.51 0.00 0.00 37.83 35.51 2cr9 s LYS 90 CO 0.05 0.10 -0.06 -1.17 -0.36 0.00 0.00 175.35 173.92 2cr9 s LEU 91 N 0.22 1.21 -0.04 5.43 2.96 -1.25 -0.45 118.68 126.76 2cr9 s LEU 91 Ca -0.03 -0.19 -0.02 0.00 -0.22 0.00 0.00 54.13 53.67 2cr9 s LEU 91 Cb -0.09 -0.60 0.03 0.00 0.50 0.00 0.00 46.19 46.03 2cr9 s LEU 91 CO 0.00 -0.08 0.06 -1.61 -1.32 0.00 0.00 176.35 173.40 2cr9 s GLU 92 N 1.24 -0.07 0.23 1.98 0.41 -1.05 -4.92 118.70 116.51 2cr9 s GLU 92 Ca -0.05 0.36 -0.30 0.00 -0.41 0.00 0.00 54.97 54.57 2cr9 s GLU 92 Cb -0.14 -0.49 -0.09 0.00 -1.78 0.00 0.00 34.13 31.63 2cr9 s GLU 92 CO -0.02 -0.31 1.26 1.14 -0.49 0.00 0.00 175.26 176.83 2cr9 s GLN 93 N 2.07 4.44 0.07 1.61 -2.07 -1.26 -0.11 119.66 124.40 2cr9 s GLN 93 Ca 0.04 2.01 -0.02 0.00 -1.82 0.00 0.00 55.36 55.57 2cr9 s GLN 93 Cb -0.12 -3.18 -0.04 0.00 -1.09 0.00 0.00 33.01 28.57 2cr9 s GLN 93 CO -0.03 -0.15 0.25 -1.64 -1.32 0.00 0.00 175.29 172.40 2cr9 s MET 94 N -0.61 3.49 -0.04 9.60 -1.94 0.22 -4.92 119.30 125.10 2cr9 s MET 94 Ca 0.53 -0.33 -0.24 0.00 -1.71 0.00 0.00 55.69 53.93 2cr9 s MET 94 Cb -0.36 -3.00 -0.23 0.00 2.01 0.00 0.00 34.83 33.25 2cr9 s MET 94 CO 0.41 0.58 1.06 -1.00 -0.01 0.00 0.00 175.02 176.07 2cr9 h PRO 95 N 3.12 0.17 -5.85 2.03 0.13 -1.91 -3.34 132.00 126.36 2cr9 h PRO 95 Ca -0.46 -0.17 -0.60 0.00 -0.87 0.00 0.00 66.00 63.90 2cr9 h PRO 95 Cb 1.16 0.04 -0.14 0.00 0.13 0.00 0.00 31.00 32.20 2cr9 h PRO 95 CO 0.74 0.88 -0.67 -1.12 -0.23 0.00 0.00 178.00 177.60 2cr9 s SER 96 N -6.26 3.60 0.14 1.44 0.01 -1.26 -4.87 113.70 106.50 2cr9 s SER 96 Ca -0.16 -1.22 -0.12 0.00 1.31 0.00 0.00 55.95 55.76 2cr9 s SER 96 Cb 0.01 -0.33 -0.01 0.00 0.21 0.00 0.00 66.02 65.90 2cr9 s SER 96 CO 0.74 -0.25 1.54 0.50 0.41 0.00 0.00 173.24 176.18 2cr9 h LYS 97 N 2.03 0.86 0.23 12.44 3.64 -1.90 -2.75 116.57 131.12 2cr9 h LYS 97 Ca -0.42 -0.34 -0.01 0.00 -1.27 0.00 0.00 60.65 58.61 2cr9 h LYS 97 Cb 1.25 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 2cr9 h LYS 97 CO 0.71 0.97 -0.11 0.93 -2.27 0.00 0.00 179.45 179.68 2cr9 h GLU 98 N 0.69 -0.30 -0.61 1.90 5.08 -1.98 -0.87 114.58 118.49 2cr9 h GLU 98 Ca 0.11 0.02 0.18 0.00 -1.00 0.00 0.00 59.36 58.67 2cr9 h GLU 98 Cb 0.66 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.96 2cr9 h GLU 98 CO 0.05 -0.07 0.65 -0.44 -1.00 0.00 0.00 179.01 178.20 2cr9 h ASP 99 N -0.50 0.00 0.23 1.42 3.32 -1.96 1.31 116.42 120.24 2cr9 h ASP 99 Ca -0.03 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.70 2cr9 h ASP 99 Cb 0.37 0.00 0.03 0.00 0.22 0.00 0.00 39.33 39.95 2cr9 h ASP 99 CO 0.05 0.00 -1.45 0.00 -1.72 0.00 0.00 179.24 176.12 2cr9 h ALA 100 N 1.27 -0.10 -0.02 3.45 0.00 -1.06 -2.69 119.26 120.12 2cr9 h ALA 100 Ca 0.29 -0.89 -0.01 0.00 0.00 0.00 0.00 54.91 54.30 2cr9 h ALA 100 Cb 1.58 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 19.60 2cr9 h ALA 100 CO -0.00 0.71 -0.02 0.82 0.00 0.00 0.00 179.25 180.76 2cr9 h ILE 101 N 0.06 1.39 -0.56 0.00 2.04 0.22 0.02 117.51 120.69 2cr9 h ILE 101 Ca -0.26 -1.19 0.09 0.00 1.00 0.00 0.00 64.86 64.49 2cr9 h ILE 101 Cb 2.09 2.17 -0.07 0.00 -0.74 0.00 0.00 36.82 40.26 2cr9 h ILE 101 CO 0.24 0.31 0.18 -0.33 0.00 0.00 0.00 178.15 178.55 2cr9 h GLU 102 N -0.44 0.34 0.01 2.37 5.08 0.11 1.43 114.58 123.47 2cr9 h GLU 102 Ca 0.00 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2cr9 h GLU 102 Cb 0.52 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.70 2cr9 h GLU 102 CO 0.00 0.22 -0.01 1.25 -1.00 0.00 0.00 179.01 179.48 2cr9 h HIS 103 N 0.35 -0.02 0.00 4.33 2.76 -1.46 0.33 115.15 121.44 2cr9 h HIS 103 Ca 0.28 -0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.42 2cr9 h HIS 103 Cb 0.35 0.01 -0.00 0.00 1.55 0.00 0.00 27.41 29.31 2cr9 h HIS 103 CO -0.19 0.18 -0.13 0.35 -1.30 0.00 0.00 177.93 176.84 2cr9 h PHE 104 N -0.21 0.00 0.20 5.26 3.57 -0.20 1.33 116.94 126.88 2cr9 h PHE 104 Ca -0.00 0.00 -0.32 0.00 3.53 0.00 0.00 57.97 61.18 2cr9 h PHE 104 Cb 0.20 0.00 0.03 0.00 2.79 0.00 0.00 35.95 38.98 2cr9 h PHE 104 CO -0.01 0.13 -1.38 0.52 -2.23 0.00 0.00 178.31 175.34 2cr9 h MET 105 N 0.00 0.55 0.17 1.11 2.86 0.24 -2.77 114.93 117.09 2cr9 h MET 105 Ca -0.00 -0.86 -0.24 0.00 -2.06 0.00 0.00 59.70 56.54 2cr9 h MET 105 Cb 0.28 0.31 0.03 0.00 0.06 0.00 0.00 31.60 32.28 2cr9 h MET 105 CO 0.02 1.40 -1.03 -0.22 1.06 0.00 0.00 176.91 178.14 2cr9 h LYS 106 N 0.19 0.40 -0.44 1.72 3.64 0.14 -3.10 116.57 119.12 2cr9 h LYS 106 Ca -0.22 -0.66 0.08 0.00 -1.27 0.00 0.00 60.65 58.58 2cr9 h LYS 106 Cb 2.06 0.24 -0.07 0.00 -0.41 0.00 0.00 32.23 34.06 2cr9 h LYS 106 CO 0.26 1.31 0.05 -0.07 -2.27 0.00 0.00 179.45 178.73 2cr9 h LEU 107 N -0.16 -0.07 0.00 5.20 3.38 0.16 0.69 115.31 124.50 2cr9 h LEU 107 Ca -0.18 0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2cr9 h LEU 107 Cb 1.80 0.14 0.00 0.00 0.09 0.00 0.00 40.66 42.69 2cr9 h LEU 107 CO 0.19 -0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.72 2cr9 n TYR 108 N -5.15 0.00 -0.02 1.13 9.36 -1.04 -1.61 117.16 119.83 2cr9 n TYR 108 Ca 0.04 0.00 0.04 0.00 3.32 0.00 0.00 57.90 61.30 2cr9 n TYR 108 Cb 0.22 -0.38 -0.15 0.00 -0.63 0.00 0.00 39.34 38.40 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 -1.38 0.66 0.04 2.98 2.13 0.21 -3.32 120.64 121.96 2cr9 n GLU 109 Ca 0.05 -0.08 -0.10 0.00 0.66 0.00 0.00 57.16 57.69 2cr9 n GLU 109 Cb 0.13 -1.57 -0.13 0.00 0.27 0.00 0.00 31.44 30.13 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 0.06 0.10 5.31 4.11 0.31 0.16 114.58 124.63 2cr9 h GLU 110 Ca -0.17 -0.10 -0.00 0.00 0.07 0.00 0.00 59.36 59.15 2cr9 h GLU 110 Cb 1.41 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.70 2cr9 h GLU 110 CO 0.01 0.89 -0.05 0.87 0.07 0.00 0.00 179.01 180.80 2cr9 h LYS 111 N 0.02 -0.13 0.00 1.06 1.79 -1.57 -3.34 116.57 114.40 2cr9 h LYS 111 Ca -0.14 0.01 -0.10 0.00 -2.18 0.00 0.00 60.65 58.24 2cr9 h LYS 111 Cb 1.90 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 32.56 2cr9 h LYS 111 CO 0.12 -0.08 -0.47 1.79 -1.08 0.00 0.00 179.45 179.73 2cr9 h THR 112 N -0.90 1.06 0.00 -0.16 1.35 -1.54 -2.14 112.91 110.57 2cr9 h THR 112 Ca -0.01 -1.79 0.00 0.00 -0.55 0.00 0.00 66.41 64.06 2cr9 h THR 112 Cb 0.10 2.05 0.00 0.00 -1.73 0.00 0.00 68.15 68.57 2cr9 h THR 112 CO 0.02 0.46 0.00 0.61 -0.25 0.00 0.00 175.52 176.36 2cr9 n GLY 113 N 0.34 3.16 3.85 5.82 0.00 0.56 -4.40 105.19 114.52 2cr9 n GLY 113 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.68 6.06 0.79 1.61 0.01 -1.20 -4.80 114.94 116.72 2cr9 s ASN 114 Ca 0.00 0.23 -0.14 0.00 -0.71 0.00 0.00 52.86 52.24 2cr9 s ASN 114 Cb 0.00 -1.82 0.06 0.00 0.41 0.00 0.00 41.25 39.90 2cr9 s ASN 114 CO 0.00 0.24 1.14 0.00 -1.51 0.00 0.00 177.10 176.97 2cr9 n ALA 115 N 0.85 -0.07 -0.03 0.60 0.00 -1.26 -3.96 120.51 116.63 2cr9 n ALA 115 Ca -0.10 -0.29 -0.11 0.00 0.00 0.00 0.00 53.44 52.94 2cr9 n ALA 115 Cb 0.52 -2.21 -0.05 0.00 0.00 0.00 0.00 19.45 17.71 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 -0.71 0.22 -3.17 0.00 2.91 -1.85 -3.25 115.95 110.10 2cr9 h TRP 116 Ca -0.47 -0.01 -0.78 0.00 1.13 0.00 0.00 58.89 58.75 2cr9 h TRP 116 Cb 1.31 -0.07 -0.29 0.00 -0.51 0.00 0.00 29.16 29.60 2cr9 h TRP 116 CO 0.44 0.28 0.50 1.58 -1.03 0.00 0.00 178.44 180.22 2cr9 n HIS 117 N -4.89 3.72 -4.42 2.65 -0.00 -1.26 -4.98 115.22 106.04 2cr9 n HIS 117 Ca -0.05 -3.34 -0.21 0.00 0.46 0.00 0.00 57.72 54.58 2cr9 n HIS 117 Cb 0.11 -1.39 -0.16 0.00 -0.12 0.00 0.00 29.99 28.44 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 -0.45 1.34 0.78 0.26 0.15 -1.23 -5.14 113.70 109.41 2cr9 s SER 118 Ca 0.31 -0.21 -0.11 0.00 0.70 0.00 0.00 55.95 56.64 2cr9 s SER 118 Cb -0.02 -0.47 0.06 0.00 -1.71 0.00 0.00 66.02 63.89 2cr9 s SER 118 CO 0.00 0.04 1.10 -0.54 1.20 0.00 0.00 173.24 175.05 2cr9 s LYS 119 N 0.40 2.19 -0.02 5.44 3.01 -1.26 -4.49 119.74 125.02 2cr9 s LYS 119 Ca -0.07 0.61 -0.00 0.00 -1.01 0.00 0.00 55.97 55.50 2cr9 s LYS 119 Cb -0.11 -1.93 0.00 0.00 -1.01 0.00 0.00 37.83 34.77 2cr9 s LYS 119 CO 0.01 -1.54 0.00 -1.71 0.51 0.00 0.00 175.35 172.63 2cr9 n ASN 120 N -3.37 -6.65 -4.62 2.83 5.15 -1.26 -4.78 115.26 102.56 2cr9 n ASN 120 Ca 0.07 0.46 -0.43 0.00 -0.60 0.00 0.00 54.58 54.08 2cr9 n ASN 120 Cb 0.56 -1.80 -0.02 0.00 -0.53 0.00 0.00 39.78 37.99 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 -1.04 2.80 -0.35 1.20 5.36 -1.26 -4.99 117.98 119.69 2cr9 s PHE 121 Ca 0.00 0.90 -0.23 0.00 -0.96 0.00 0.00 56.93 56.64 2cr9 s PHE 121 Cb -0.00 -4.01 0.01 0.00 -0.34 0.00 0.00 43.02 38.68 2cr9 s PHE 121 CO 0.05 -1.41 0.77 0.99 -1.46 0.00 0.00 175.22 174.16 2cr9 s THR 122 N 4.33 4.76 -0.79 0.12 2.01 -1.26 -4.97 115.64 119.84 2cr9 s THR 122 Ca 0.52 0.92 -0.25 0.00 0.31 0.00 0.00 61.69 63.20 2cr9 s THR 122 Cb -0.13 -4.19 -0.06 0.00 0.01 0.00 0.00 72.50 68.13 2cr9 s THR 122 CO 0.24 -0.39 2.03 -0.75 -0.69 0.00 0.00 174.62 175.06 2cr9 s LYS 123 N 3.04 2.40 1.08 4.92 2.36 -1.26 -4.94 119.74 127.33 2cr9 s LYS 123 Ca 0.31 0.14 -0.14 0.00 -2.55 0.00 0.00 55.97 53.74 2cr9 s LYS 123 Cb -0.13 -4.83 0.23 0.00 -1.05 0.00 0.00 37.83 32.04 2cr9 s LYS 123 CO 0.16 -3.39 1.08 0.71 1.55 0.00 0.00 175.35 175.46 2cr9 s TYR 124 N 10.70 1.70 0.00 4.03 2.02 -1.26 -5.05 117.35 129.50 2cr9 s TYR 124 Ca 0.75 0.93 0.00 0.00 -0.37 0.00 0.00 57.07 58.38 2cr9 s TYR 124 Cb -0.10 -3.25 0.00 0.00 -0.40 0.00 0.00 41.96 38.21 2cr9 s TYR 124 CO 0.07 -3.30 0.00 -0.35 -1.57 0.00 0.00 175.55 170.41 2cr9 n PRO 125 N -4.45 0.00 -1.00 -1.71 -0.04 -1.26 -4.33 135.00 122.21 2cr9 n PRO 125 Ca 0.05 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.24 2cr9 n PRO 125 Cb 0.57 -0.06 -0.04 0.00 -0.04 0.00 0.00 33.50 33.93 2cr9 n PRO 125 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2cr9 n LYS 126 N 0.00 2.72 -4.22 0.54 5.02 -1.26 -4.80 118.16 116.16 2cr9 n LYS 126 Ca 0.00 -1.67 -0.14 0.00 -2.02 0.00 0.00 58.31 54.48 2cr9 n LYS 126 Cb 0.00 -2.51 -0.10 0.00 -0.02 0.00 0.00 35.03 32.40 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 2.52 0.98 -0.32 1.97 -0.14 -1.26 -5.03 119.74 118.47 2cr9 s LYS 127 Ca 0.55 -1.37 -0.14 0.00 -1.36 0.00 0.00 55.97 53.65 2cr9 s LYS 127 Cb 0.16 -0.56 -0.02 0.00 -1.68 0.00 0.00 37.83 35.73 2cr9 s LYS 127 CO -0.04 0.07 0.32 -0.06 -0.76 0.00 0.00 175.35 174.87 2cr9 s PHE 128 N -3.15 3.22 0.31 3.18 0.08 -0.81 -4.67 117.98 116.15 2cr9 s PHE 128 Ca 0.13 0.02 0.07 0.00 0.12 0.00 0.00 56.93 57.28 2cr9 s PHE 128 Cb 0.02 -2.58 -0.03 0.00 -0.57 0.00 0.00 43.02 39.86 2cr9 s PHE 128 CO -0.00 -0.35 0.29 1.52 -0.10 0.00 0.00 175.22 176.58 2cr9 s TYR 129 N 1.93 2.99 -0.24 0.36 -0.85 -1.25 -3.31 117.35 116.98 2cr9 s TYR 129 Ca 0.10 -0.24 -0.29 0.00 -0.52 0.00 0.00 57.07 56.12 2cr9 s TYR 129 Cb -0.17 -1.72 -0.01 0.00 0.38 0.00 0.00 41.96 40.45 2cr9 s TYR 129 CO 0.11 0.25 1.31 -1.25 -1.52 0.00 0.00 175.55 174.45 2cr9 s PRO 130 N -3.98 4.04 0.00 -3.49 0.04 -1.26 0.12 135.00 130.47 2cr9 s PRO 130 Ca 0.39 1.46 0.00 0.00 0.04 0.00 0.00 61.00 62.89 2cr9 s PRO 130 Cb -0.07 -3.85 0.00 0.00 0.04 0.00 0.00 34.50 30.63 2cr9 s PRO 130 CO 0.27 -0.96 0.42 1.28 0.04 0.00 0.00 177.00 178.05 2cr9 n LEU 131 N 7.27 0.63 -4.59 -3.56 4.77 0.11 -4.50 117.00 117.12 2cr9 n LEU 131 Ca 0.15 0.44 -0.42 0.00 -0.03 0.00 0.00 56.01 56.14 2cr9 n LEU 131 Cb 0.46 -0.05 -0.03 0.00 -2.33 0.00 0.00 43.42 41.47 2cr9 n LEU 131 CO 0.60 -0.05 1.67 -0.70 -1.33 0.00 0.00 177.39 177.58 2cr9 s GLU 132 N -0.95 3.09 -0.10 3.23 2.12 -1.26 -4.96 118.70 119.87 2cr9 s GLU 132 Ca 0.00 1.50 -0.02 0.00 0.36 0.00 0.00 54.97 56.82 2cr9 s GLU 132 Cb 0.00 -4.30 -0.03 0.00 0.26 0.00 0.00 34.13 30.06 2cr9 s GLU 132 CO 0.00 -2.15 -0.02 0.42 -0.54 0.00 0.00 175.26 172.97 2cr9 s ILE 133 N 8.00 4.08 -0.33 -3.70 1.01 -1.26 -4.88 121.20 124.12 2cr9 s ILE 133 Ca 0.86 -0.32 -0.08 0.00 0.00 0.00 0.00 60.65 61.10 2cr9 s ILE 133 Cb -0.24 -2.73 0.19 0.00 0.01 0.00 0.00 42.46 39.69 2cr9 s ILE 133 CO 0.32 0.57 1.02 -0.94 0.00 0.00 0.00 174.94 175.92 2cr9 s SER 134 N -0.54 -0.40 0.21 3.58 1.04 -1.26 -5.18 113.70 111.15 2cr9 s SER 134 Ca 0.09 -0.20 -0.23 0.00 0.48 0.00 0.00 55.95 56.09 2cr9 s SER 134 Cb -0.12 0.51 0.05 0.00 0.10 0.00 0.00 66.02 66.56 2cr9 s SER 134 CO 0.02 -0.04 0.73 -0.83 0.98 0.00 0.00 173.24 174.09 2cr9 s GLY 135 N 1.95 -0.29 1.11 7.32 0.00 -1.26 -5.18 107.32 110.98 2cr9 s GLY 135 Ca 0.15 0.07 -0.19 0.00 0.00 0.00 0.00 44.72 44.75 2cr9 s GLY 135 CO -0.14 0.03 1.24 2.56 0.00 0.00 0.00 173.10 176.78 2cr9 s PRO 136 N -3.74 -0.57 -0.20 2.90 0.04 -1.26 -5.10 135.00 127.08 2cr9 s PRO 136 Ca 0.08 -0.36 -0.36 0.00 0.04 0.00 0.00 61.00 60.40 2cr9 s PRO 136 Cb -0.04 -1.70 0.15 0.00 0.04 0.00 0.00 34.50 32.95 2cr9 s PRO 136 CO -0.01 -3.23 1.33 -1.12 0.04 0.00 0.00 177.00 174.01 2cr9 s SER 137 N -4.49 -0.05 0.29 6.66 0.01 -1.26 -5.15 113.70 109.71 2cr9 s SER 137 Ca 0.74 -0.02 -0.24 0.00 1.31 0.00 0.00 55.95 57.75 2cr9 s SER 137 Cb -0.05 0.07 -0.09 0.00 0.21 0.00 0.00 66.02 66.15 2cr9 s SER 137 CO 0.55 -0.11 0.88 -0.55 0.41 0.00 0.00 173.24 174.41 2cr9 s SER 138 N -2.30 7.25 0.00 2.44 0.15 -1.26 -5.29 113.70 114.69 2cr9 s SER 138 Ca 0.12 1.71 0.00 0.00 0.70 0.00 0.00 55.95 58.48 2cr9 s SER 138 Cb 0.01 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.79 2cr9 s SER 138 CO -0.04 -0.04 0.00 0.61 1.20 0.00 0.00 173.24 174.98