#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 -2.15 -1.36 1.61 7.64 -1.26 -5.17 113.62 112.93 2cr9 n SER 2 Ca 0.00 0.67 0.16 0.00 1.01 0.00 0.00 58.87 60.71 2cr9 n SER 2 Cb 0.00 2.12 -0.07 0.00 -1.01 0.00 0.00 64.21 65.26 2cr9 n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2cr9 n SER 3 N -3.40 -7.63 -3.61 6.43 2.88 -1.26 -5.05 113.62 101.97 2cr9 n SER 3 Ca 0.00 1.01 -0.02 0.00 -1.33 0.00 0.00 58.87 58.54 2cr9 n SER 3 Cb 0.00 -4.44 -0.01 0.00 -0.75 0.00 0.00 64.21 59.01 2cr9 n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2cr9 s GLY 4 N -6.82 -0.36 -0.04 0.46 0.00 -1.26 -5.19 107.32 94.11 2cr9 s GLY 4 Ca 0.00 1.03 -0.31 0.00 0.00 0.00 0.00 44.72 45.44 2cr9 s GLY 4 CO 0.00 0.29 1.33 -1.35 0.00 0.00 0.00 173.10 173.37 2cr9 s SER 5 N -2.64 -0.04 0.17 1.64 1.04 -1.26 -5.19 113.70 107.42 2cr9 s SER 5 Ca 0.12 -0.10 -0.24 0.00 0.48 0.00 0.00 55.95 56.20 2cr9 s SER 5 Cb 0.02 0.12 0.06 0.00 0.10 0.00 0.00 66.02 66.31 2cr9 s SER 5 CO -0.04 -0.22 0.90 -0.55 0.98 0.00 0.00 173.24 174.31 2cr9 s SER 6 N -3.03 -0.22 -0.26 7.02 0.15 -1.26 -5.19 113.70 110.92 2cr9 s SER 6 Ca 0.15 -0.40 -0.38 0.00 0.70 0.00 0.00 55.95 56.02 2cr9 s SER 6 Cb 0.05 0.53 0.16 0.00 -1.71 0.00 0.00 66.02 65.05 2cr9 s SER 6 CO -0.05 -0.97 1.39 -0.83 1.20 0.00 0.00 173.24 173.98 2cr9 s GLY 7 N -2.90 -0.24 0.04 9.45 0.00 -1.26 -5.19 107.32 107.22 2cr9 s GLY 7 Ca 0.11 1.78 -0.28 0.00 0.00 0.00 0.00 44.72 46.33 2cr9 s GLY 7 CO 0.02 0.57 0.88 0.54 0.00 0.00 0.00 173.10 175.11 2cr9 s LYS 8 N -2.04 0.92 -0.17 2.90 3.01 -1.26 -5.15 119.74 117.95 2cr9 s LYS 8 Ca 0.12 -0.38 -0.01 0.00 -1.01 0.00 0.00 55.97 54.69 2cr9 s LYS 8 Cb 0.00 0.40 0.05 0.00 -1.01 0.00 0.00 37.83 37.27 2cr9 s LYS 8 CO -0.03 -0.41 -0.01 -1.54 0.51 0.00 0.00 175.35 173.87 2cr9 s SER 9 N -2.59 2.83 -0.23 2.83 1.04 -1.26 -5.11 113.70 111.22 2cr9 s SER 9 Ca 0.06 -0.71 -0.33 0.00 0.48 0.00 0.00 55.95 55.45 2cr9 s SER 9 Cb -0.01 -0.78 0.16 0.00 0.10 0.00 0.00 66.02 65.49 2cr9 s SER 9 CO -0.07 -0.24 1.26 -1.61 0.98 0.00 0.00 173.24 173.57 2cr9 s GLU 10 N 1.72 0.21 -0.09 4.02 2.02 -1.26 -5.18 118.70 120.14 2cr9 s GLU 10 Ca -0.00 -0.02 -0.30 0.00 0.02 0.00 0.00 54.97 54.67 2cr9 s GLU 10 Cb -0.16 0.10 0.07 0.00 0.10 0.00 0.00 34.13 34.24 2cr9 s GLU 10 CO -0.07 -0.08 0.70 -1.59 0.02 0.00 0.00 175.26 174.24 2cr9 s LYS 11 N -1.71 1.00 -0.42 1.61 0.00 -1.26 -5.12 119.74 113.84 2cr9 s LYS 11 Ca 0.08 0.38 0.06 0.00 0.00 0.00 0.00 55.97 56.49 2cr9 s LYS 11 Cb -0.01 0.48 0.17 0.00 0.00 0.00 0.00 37.83 38.47 2cr9 s LYS 11 CO -0.05 -0.28 0.53 1.03 0.00 0.00 0.00 175.35 176.58 2cr9 s ARG 12 N -0.91 0.82 0.00 1.78 3.00 -1.26 -5.14 118.95 117.24 2cr9 s ARG 12 Ca -0.09 -0.84 -0.01 0.00 0.00 0.00 0.00 55.73 54.80 2cr9 s ARG 12 Cb -0.01 -0.38 -0.01 0.00 0.00 0.00 0.00 34.95 34.56 2cr9 s ARG 12 CO 0.08 -1.24 0.01 -1.64 0.00 0.00 0.00 175.30 172.51 2cr9 s MET 13 N 1.31 0.16 1.34 3.54 -1.94 -1.26 -5.15 119.30 117.29 2cr9 s MET 13 Ca 0.21 -0.22 -0.19 0.00 -1.71 0.00 0.00 55.69 53.78 2cr9 s MET 13 Cb -0.07 0.06 0.33 0.00 2.01 0.00 0.00 34.83 37.17 2cr9 s MET 13 CO -0.06 -0.03 0.85 1.63 -0.01 0.00 0.00 175.02 177.41 2cr9 n LYS 14 N 2.45 -3.79 -2.09 2.03 5.02 -1.26 -4.74 118.16 115.78 2cr9 n LYS 14 Ca -0.17 -1.11 -0.29 0.00 -2.02 0.00 0.00 58.31 54.72 2cr9 n LYS 14 Cb 0.58 -1.97 -0.06 0.00 -0.02 0.00 0.00 35.03 33.56 2cr9 n LYS 14 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2cr9 s LEU 15 N -6.98 3.09 -0.04 -0.35 1.43 -1.26 -4.54 118.68 110.03 2cr9 s LEU 15 Ca 0.66 -1.69 0.16 0.00 -1.03 0.00 0.00 54.13 52.23 2cr9 s LEU 15 Cb -0.17 -2.59 -0.21 0.00 0.03 0.00 0.00 46.19 43.26 2cr9 s LEU 15 CO 0.59 -2.99 0.57 1.07 0.23 0.00 0.00 176.35 175.82 2cr9 n THR 16 N 7.74 1.25 0.00 5.49 5.66 -1.26 -3.83 114.28 129.34 2cr9 n THR 16 Ca 0.45 -0.74 0.00 0.00 -3.05 0.00 0.00 64.05 60.70 2cr9 n THR 16 Cb 0.47 -0.69 0.00 0.00 -1.55 0.00 0.00 70.33 68.55 2cr9 n THR 16 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 2cr9 n LEU 17 N -2.84 0.12 0.00 1.09 -0.00 -1.26 -4.05 117.00 110.05 2cr9 n LEU 17 Ca -0.17 0.80 0.00 0.00 -0.00 0.00 0.00 56.01 56.64 2cr9 n LEU 17 Cb 0.95 -0.39 0.00 0.00 -0.00 0.00 0.00 43.42 43.98 2cr9 n LEU 17 CO 0.44 -0.39 0.43 1.17 -0.00 0.00 0.00 177.39 179.03 2cr9 n LYS 18 N -1.68 0.00 0.00 1.96 3.00 -1.26 -4.86 118.16 115.31 2cr9 n LYS 18 Ca 0.00 0.76 0.00 0.00 -0.00 0.00 0.00 58.31 59.07 2cr9 n LYS 18 Cb 0.00 -1.36 0.00 0.00 0.00 0.00 0.00 35.03 33.67 2cr9 n LYS 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2cr9 n GLY 19 N -0.97 1.88 0.00 3.14 0.00 -1.25 -4.77 105.19 103.22 2cr9 n GLY 19 Ca 0.00 -0.64 0.00 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 0.74 3.84 -0.02 0.00 -1.26 -5.02 105.19 103.47 2cr9 n GLY 20 Ca 0.00 -0.02 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.93 2.57 0.20 4.61 0.00 -1.26 -5.03 121.76 118.92 2cr9 s ALA 21 Ca 0.00 -0.24 -0.18 0.00 0.00 0.00 0.00 51.96 51.54 2cr9 s ALA 21 Cb 0.00 -3.08 -0.08 0.00 0.00 0.00 0.00 23.12 19.96 2cr9 s ALA 21 CO 0.00 -1.43 0.68 0.00 0.00 0.00 0.00 175.76 175.01 2cr9 s ALA 22 N -3.23 3.45 0.24 0.00 0.00 -1.26 -4.12 121.76 116.83 2cr9 s ALA 22 Ca 0.59 0.09 -0.03 0.00 0.00 0.00 0.00 51.96 52.61 2cr9 s ALA 22 Cb -0.13 -2.74 -0.05 0.00 0.00 0.00 0.00 23.12 20.20 2cr9 s ALA 22 CO 0.53 0.36 0.47 0.08 0.00 0.00 0.00 175.76 177.20 2cr9 s VAL 23 N -1.52 5.12 0.33 0.00 1.01 -1.26 -4.84 120.40 119.24 2cr9 s VAL 23 Ca 0.42 -0.14 -0.26 0.00 0.00 0.00 0.00 61.98 62.00 2cr9 s VAL 23 Cb -0.16 -3.73 -0.10 0.00 0.00 0.00 0.00 36.38 32.39 2cr9 s VAL 23 CO 0.20 -0.23 0.95 -0.62 0.00 0.00 0.00 175.10 175.41 2cr9 s ASP 24 N -3.12 7.29 0.49 3.32 2.15 -1.26 -4.79 116.67 120.75 2cr9 s ASP 24 Ca 0.41 1.85 0.28 0.00 0.43 0.00 0.00 52.55 55.52 2cr9 s ASP 24 Cb -0.11 -2.58 0.85 0.00 -0.30 0.00 0.00 42.92 40.78 2cr9 s ASP 24 CO 0.29 -0.10 1.79 1.55 -0.17 0.00 0.00 175.17 178.53 2cr9 h PRO 25 N 3.10 0.00 0.00 4.34 0.13 -1.98 -2.67 132.00 134.93 2cr9 h PRO 25 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2cr9 h PRO 25 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2cr9 h PRO 25 CO 0.65 0.01 0.00 0.22 -0.23 0.00 0.00 178.00 178.65 2cr9 h ASP 26 N 0.00 0.00 0.96 1.44 1.82 -2.04 -2.59 116.42 116.01 2cr9 h ASP 26 Ca -0.00 0.00 -0.22 0.00 -0.39 0.00 0.00 57.03 56.42 2cr9 h ASP 26 Cb 0.76 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.75 2cr9 h ASP 26 CO 0.00 0.00 -1.04 0.77 -1.61 0.00 0.00 179.24 177.36 2cr9 h SER 27 N 0.00 0.03 0.00 2.28 4.64 -1.87 -3.47 113.55 115.16 2cr9 h SER 27 Ca 0.00 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 2cr9 h SER 27 Cb 0.56 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 2cr9 h SER 27 CO 0.00 1.03 0.00 0.61 -0.87 0.00 0.00 176.83 177.60 2cr9 n GLY 28 N 1.37 0.58 0.43 -0.77 0.00 -0.98 -4.81 105.19 101.01 2cr9 n GLY 28 Ca -0.01 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.08 2cr9 n GLY 28 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2cr9 n LEU 29 N 0.00 1.78 0.28 0.99 4.77 -1.26 -4.38 117.00 119.17 2cr9 n LEU 29 Ca 0.00 -0.84 0.17 0.00 -0.03 0.00 0.00 56.01 55.31 2cr9 n LEU 29 Cb 0.05 0.00 0.92 0.00 -2.33 0.00 0.00 43.42 42.06 2cr9 n LEU 29 CO 0.00 0.33 1.05 1.05 -1.33 0.00 0.00 177.39 178.49 2cr9 h GLU 30 N 2.10 0.00 -0.01 3.23 4.11 -1.72 1.87 114.58 124.15 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 0.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.80 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 -2.74 0.02 0.11 2.06 1.44 -1.26 -4.79 115.22 110.06 2cr9 n HIS 31 Ca -0.02 -0.62 0.00 0.00 -2.01 0.00 0.00 57.72 55.07 2cr9 n HIS 31 Cb 0.13 -0.08 0.00 0.00 0.12 0.00 0.00 29.99 30.16 2cr9 n HIS 31 CO 0.00 0.00 0.00 0.43 -2.81 0.00 0.00 176.34 173.96 2cr9 n SER 32 N -0.69 0.23 -4.97 4.39 7.64 0.14 -5.12 113.62 115.24 2cr9 n SER 32 Ca 0.04 0.35 -0.22 0.00 1.01 0.00 0.00 58.87 60.06 2cr9 n SER 32 Cb 0.35 0.16 0.02 0.00 -1.01 0.00 0.00 64.21 63.73 2cr9 n SER 32 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2cr9 s ALA 33 N -2.00 4.53 0.12 -0.43 0.00 0.59 -3.98 121.76 120.59 2cr9 s ALA 33 Ca 0.00 -1.77 -0.06 0.00 0.00 0.00 0.00 51.96 50.13 2cr9 s ALA 33 Cb 0.00 -1.17 -0.02 0.00 0.00 0.00 0.00 23.12 21.93 2cr9 s ALA 33 CO 0.00 -0.60 0.17 -3.38 0.00 0.00 0.00 175.76 171.95 2cr9 s HIS 34 N -2.65 0.48 0.24 0.00 -3.43 -0.42 -4.16 115.29 105.35 2cr9 s HIS 34 Ca 0.50 -0.88 -0.31 0.00 -0.80 0.00 0.00 55.06 53.57 2cr9 s HIS 34 Cb -0.05 -0.21 -0.14 0.00 -1.43 0.00 0.00 32.58 30.76 2cr9 s HIS 34 CO 0.31 -0.59 1.30 0.28 -2.00 0.00 0.00 174.74 174.04 2cr9 n VAL 35 N -0.11 1.19 -2.64 -5.38 0.31 -1.26 0.11 118.33 110.56 2cr9 n VAL 35 Ca -0.09 -0.30 -0.42 0.00 -0.01 0.00 0.00 64.34 63.52 2cr9 n VAL 35 Cb 0.63 -1.30 -0.03 0.00 -0.91 0.00 0.00 33.84 32.23 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 0.12 4.29 -0.01 7.52 1.98 0.53 -4.64 118.68 128.47 2cr9 s LEU 36 Ca 0.67 1.65 0.04 0.00 -2.89 0.00 0.00 54.13 53.60 2cr9 s LEU 36 Cb -0.69 -3.56 -0.03 0.00 0.66 0.00 0.00 46.19 42.57 2cr9 s LEU 36 CO 0.53 -0.42 -0.13 -1.61 -1.89 0.00 0.00 176.35 172.83 2cr9 s GLU 37 N 1.72 2.40 -0.06 1.98 2.02 -1.26 -1.67 118.70 123.84 2cr9 s GLU 37 Ca 0.51 -0.78 -0.15 0.00 0.02 0.00 0.00 54.97 54.57 2cr9 s GLU 37 Cb -0.21 -2.37 0.03 0.00 0.10 0.00 0.00 34.13 31.68 2cr9 s GLU 37 CO 0.22 0.60 0.36 0.21 0.02 0.00 0.00 175.26 176.66 2cr9 s LYS 38 N -1.14 0.62 -1.72 1.61 2.20 0.03 -4.90 119.74 116.44 2cr9 s LYS 38 Ca 0.14 0.07 -0.17 0.00 -0.36 0.00 0.00 55.97 55.65 2cr9 s LYS 38 Cb -0.11 0.28 0.15 0.00 -1.51 0.00 0.00 37.83 36.65 2cr9 s LYS 38 CO 0.04 -0.15 0.60 0.41 -0.36 0.00 0.00 175.35 175.89 2cr9 n GLY 39 N 1.76 -0.37 2.73 5.54 0.00 -1.26 0.19 105.19 113.78 2cr9 n GLY 39 Ca -0.19 0.12 -0.21 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.48 -0.51 3.32 -0.02 0.00 -1.26 -4.98 105.19 100.26 2cr9 n GLY 40 Ca 0.01 0.07 -0.17 0.00 0.00 0.00 0.00 46.02 45.92 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 -5.40 1.25 -0.07 1.61 -0.14 0.50 -5.15 119.74 112.34 2cr9 s LYS 41 Ca 0.16 -1.55 0.00 0.00 -1.36 0.00 0.00 55.97 53.23 2cr9 s LYS 41 Cb -0.07 -0.97 -0.03 0.00 -1.68 0.00 0.00 37.83 35.08 2cr9 s LYS 41 CO 0.20 0.15 -0.05 0.08 -0.76 0.00 0.00 175.35 174.97 2cr9 s VAL 42 N -3.08 3.83 -0.36 3.17 1.01 -1.26 -0.79 120.40 122.92 2cr9 s VAL 42 Ca 0.21 -0.43 -0.04 0.00 0.00 0.00 0.00 61.98 61.71 2cr9 s VAL 42 Cb 0.00 -2.57 0.01 0.00 0.00 0.00 0.00 36.38 33.81 2cr9 s VAL 42 CO 0.05 0.60 2.90 0.49 0.00 0.00 0.00 175.10 179.14 2cr9 n PHE 43 N 2.21 1.28 -3.71 5.22 3.01 -0.67 -4.74 117.46 120.07 2cr9 n PHE 43 Ca -0.18 -1.85 -0.30 0.00 1.01 0.00 0.00 57.45 56.13 2cr9 n PHE 43 Cb 0.53 -1.40 -0.14 0.00 -0.01 0.00 0.00 39.48 38.46 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 0.66 3.87 -0.04 4.37 0.15 -1.26 -2.24 113.70 119.21 2cr9 s SER 44 Ca 0.59 -1.87 0.05 0.00 0.70 0.00 0.00 55.95 55.42 2cr9 s SER 44 Cb 0.36 -0.86 -0.02 0.00 -1.71 0.00 0.00 66.02 63.79 2cr9 s SER 44 CO -0.17 -0.38 -0.19 0.00 1.20 0.00 0.00 173.24 173.70 2cr9 s ALA 45 N 1.33 2.44 -0.22 5.45 0.00 -1.07 -4.98 121.76 124.71 2cr9 s ALA 45 Ca 0.12 -1.03 -0.03 0.00 0.00 0.00 0.00 51.96 51.02 2cr9 s ALA 45 Cb -0.19 -0.81 -0.00 0.00 0.00 0.00 0.00 23.12 22.12 2cr9 s ALA 45 CO -0.18 0.52 -0.05 0.99 0.00 0.00 0.00 175.76 177.03 2cr9 s THR 46 N -0.58 3.24 0.36 0.00 2.01 -1.26 -0.42 115.64 118.99 2cr9 s THR 46 Ca 0.08 -0.58 0.08 0.00 0.31 0.00 0.00 61.69 61.58 2cr9 s THR 46 Cb -0.11 -2.49 -0.03 0.00 0.01 0.00 0.00 72.50 69.88 2cr9 s THR 46 CO 0.01 0.40 0.24 -0.76 -0.69 0.00 0.00 174.62 173.82 2cr9 s LEU 47 N 1.45 3.37 -0.22 4.42 1.43 -0.20 -1.43 118.68 127.49 2cr9 s LEU 47 Ca 0.05 -0.72 -0.11 0.00 -1.03 0.00 0.00 54.13 52.32 2cr9 s LEU 47 Cb -0.14 -1.91 0.08 0.00 0.03 0.00 0.00 46.19 44.25 2cr9 s LEU 47 CO -0.04 -0.42 0.52 -0.83 0.23 0.00 0.00 176.35 175.81 2cr9 s GLY 48 N -3.95 -0.46 0.01 -3.19 0.00 0.84 -2.08 107.32 98.49 2cr9 s GLY 48 Ca 0.41 1.87 0.05 0.00 0.00 0.00 0.00 44.72 47.06 2cr9 s GLY 48 CO 0.25 2.14 -0.16 -2.27 0.00 0.00 0.00 173.10 173.06 2cr9 s LEU 49 N 1.79 2.08 -0.04 0.66 1.98 0.38 -3.30 118.68 122.22 2cr9 s LEU 49 Ca -0.08 -0.36 0.00 0.00 -2.89 0.00 0.00 54.13 50.80 2cr9 s LEU 49 Cb -0.08 -0.78 0.03 0.00 0.66 0.00 0.00 46.19 46.02 2cr9 s LEU 49 CO -0.16 0.15 -0.00 -0.69 -1.89 0.00 0.00 176.35 173.76 2cr9 s VAL 50 N -0.54 0.26 -0.30 1.68 1.01 -1.26 0.19 120.40 121.44 2cr9 s VAL 50 Ca 0.05 0.07 -0.23 0.00 0.00 0.00 0.00 61.98 61.87 2cr9 s VAL 50 Cb -0.07 -0.37 -0.00 0.00 0.00 0.00 0.00 36.38 35.94 2cr9 s VAL 50 CO 0.00 0.18 0.78 -1.81 0.00 0.00 0.00 175.10 174.25 2cr9 s ASP 51 N 1.24 6.67 0.06 3.32 1.01 0.48 -4.91 116.67 124.54 2cr9 s ASP 51 Ca -0.07 0.69 0.03 0.00 0.71 0.00 0.00 52.55 53.91 2cr9 s ASP 51 Cb -0.13 -2.40 -0.25 0.00 1.01 0.00 0.00 42.92 41.15 2cr9 s ASP 51 CO -0.02 -0.58 1.07 -0.29 0.21 0.00 0.00 175.17 175.55 2cr9 h ILE 52 N 5.57 1.42 0.05 0.77 2.10 -1.94 0.11 117.51 125.59 2cr9 h ILE 52 Ca -0.24 -3.10 -0.00 0.00 1.08 0.00 0.00 64.86 62.59 2cr9 h ILE 52 Cb 1.10 2.80 0.00 0.00 -1.09 0.00 0.00 36.82 39.63 2cr9 h ILE 52 CO 0.87 0.86 -0.03 -0.37 -1.08 0.00 0.00 178.15 178.40 2cr9 h VAL 53 N 0.03 1.03 0.00 2.19 -1.51 -1.95 -3.23 116.25 112.81 2cr9 h VAL 53 Ca -0.13 -1.58 0.00 0.00 -1.23 0.00 0.00 66.70 63.76 2cr9 h VAL 53 Cb 1.91 1.88 0.00 0.00 -2.13 0.00 0.00 31.29 32.95 2cr9 h VAL 53 CO 0.15 0.32 0.00 0.29 -1.23 0.00 0.00 177.57 177.10 2cr9 n LYS 54 N -4.76 0.09 -3.65 5.19 4.76 -1.26 -4.89 118.16 113.64 2cr9 n LYS 54 Ca -0.07 0.22 -0.26 0.00 -2.87 0.00 0.00 58.31 55.33 2cr9 n LYS 54 Cb 0.28 -1.64 0.06 0.00 -1.84 0.00 0.00 35.03 31.89 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 0.64 -0.53 3.48 0.72 0.00 0.18 -4.99 105.19 104.69 2cr9 n GLY 55 Ca 0.04 0.23 -0.25 0.00 0.00 0.00 0.00 46.02 46.04 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 -3.29 2.59 -0.07 2.61 -4.23 -0.04 -4.94 115.64 108.27 2cr9 s THR 56 Ca 0.59 -2.17 0.04 0.00 -1.18 0.00 0.00 61.69 58.98 2cr9 s THR 56 Cb -0.27 -2.32 -0.02 0.00 1.34 0.00 0.00 72.50 71.23 2cr9 s THR 56 CO 0.73 -0.28 -0.20 0.20 -0.54 0.00 0.00 174.62 174.53 2cr9 s ASN 57 N -3.18 3.49 0.08 3.99 -0.87 -1.26 0.18 114.94 117.37 2cr9 s ASN 57 Ca 0.27 -0.39 0.02 0.00 -1.57 0.00 0.00 52.86 51.19 2cr9 s ASN 57 Cb -0.06 -0.96 -0.03 0.00 -0.02 0.00 0.00 41.25 40.17 2cr9 s ASN 57 CO 0.14 0.26 -0.08 -0.44 -2.57 0.00 0.00 177.10 174.41 2cr9 s SER 58 N -0.24 1.09 -0.17 -1.22 0.01 0.49 -2.84 113.70 110.82 2cr9 s SER 58 Ca -0.00 -0.80 -0.09 0.00 1.31 0.00 0.00 55.95 56.36 2cr9 s SER 58 Cb -0.13 0.06 0.06 0.00 0.21 0.00 0.00 66.02 66.21 2cr9 s SER 58 CO 0.03 -0.33 0.41 -0.72 0.41 0.00 0.00 173.24 173.04 2cr9 s TYR 59 N -2.57 -0.60 0.21 2.43 -0.85 -0.86 -0.47 117.35 114.64 2cr9 s TYR 59 Ca 0.03 1.28 0.09 0.00 -0.52 0.00 0.00 57.07 57.95 2cr9 s TYR 59 Cb -0.02 0.26 -0.04 0.00 0.38 0.00 0.00 41.96 42.54 2cr9 s TYR 59 CO -0.02 -0.34 -0.07 -0.47 -1.52 0.00 0.00 175.55 173.13 2cr9 s TYR 60 N 1.38 2.65 -0.05 -3.49 5.04 -0.88 -3.44 117.35 118.56 2cr9 s TYR 60 Ca -0.09 -0.22 -0.02 0.00 -2.44 0.00 0.00 57.07 54.30 2cr9 s TYR 60 Cb -0.08 -1.25 0.03 0.00 0.35 0.00 0.00 41.96 41.01 2cr9 s TYR 60 CO -0.13 0.56 0.10 0.21 -1.34 0.00 0.00 175.55 174.95 2cr9 s LYS 61 N -3.13 0.04 -0.04 4.97 2.36 -0.42 -1.03 119.74 122.49 2cr9 s LYS 61 Ca 0.27 0.30 0.01 0.00 -2.55 0.00 0.00 55.97 54.00 2cr9 s LYS 61 Cb -0.08 -0.20 -0.03 0.00 -1.05 0.00 0.00 37.83 36.47 2cr9 s LYS 61 CO 0.17 -0.16 -0.02 -0.51 1.55 0.00 0.00 175.35 176.37 2cr9 s LEU 62 N 1.12 3.40 -0.29 5.43 1.43 0.44 -2.14 118.68 128.06 2cr9 s LEU 62 Ca -0.09 0.01 -0.13 0.00 -1.03 0.00 0.00 54.13 52.90 2cr9 s LEU 62 Cb -0.12 -1.85 0.12 0.00 0.03 0.00 0.00 46.19 44.37 2cr9 s LEU 62 CO -0.05 0.33 0.74 -1.10 0.23 0.00 0.00 176.35 176.50 2cr9 s GLN 63 N -1.17 0.55 -0.47 1.70 -0.21 -1.11 -2.61 119.66 116.35 2cr9 s GLN 63 Ca 0.16 1.23 -0.06 0.00 0.02 0.00 0.00 55.36 56.71 2cr9 s GLN 63 Cb -0.11 0.57 0.12 0.00 1.00 0.00 0.00 33.01 34.59 2cr9 s GLN 63 CO 0.05 -0.16 0.30 -1.17 -2.12 0.00 0.00 175.29 172.20 2cr9 s LEU 64 N 2.41 5.50 0.18 2.90 0.20 -0.95 -0.86 118.68 128.07 2cr9 s LEU 64 Ca -0.07 -2.06 -0.30 0.00 0.69 0.00 0.00 54.13 52.40 2cr9 s LEU 64 Cb -0.09 -1.93 -0.07 0.00 -0.43 0.00 0.00 46.19 43.67 2cr9 s LEU 64 CO -0.19 -0.60 1.01 -0.76 -0.29 0.00 0.00 176.35 175.52 2cr9 s LEU 65 N 1.13 4.54 -0.02 -0.68 1.43 -1.03 0.20 118.68 124.24 2cr9 s LEU 65 Ca 0.08 1.96 0.07 0.00 -1.03 0.00 0.00 54.13 55.21 2cr9 s LEU 65 Cb -0.24 -3.60 -0.02 0.00 0.03 0.00 0.00 46.19 42.36 2cr9 s LEU 65 CO -0.03 -0.06 -0.22 -0.70 0.23 0.00 0.00 176.35 175.58 2cr9 s GLU 66 N -0.53 1.82 0.31 1.70 2.12 0.31 -0.84 118.70 123.60 2cr9 s GLU 66 Ca 0.46 -0.78 -0.29 0.00 0.36 0.00 0.00 54.97 54.72 2cr9 s GLU 66 Cb -0.27 -1.73 -0.11 0.00 0.26 0.00 0.00 34.13 32.28 2cr9 s GLU 66 CO 0.33 0.45 1.54 0.34 -0.54 0.00 0.00 175.26 177.38 2cr9 s ASP 67 N -0.46 6.41 0.31 -1.70 2.15 0.45 -1.30 116.67 122.53 2cr9 s ASP 67 Ca 0.07 2.93 0.01 0.00 0.43 0.00 0.00 52.55 55.99 2cr9 s ASP 67 Cb -0.09 -2.64 0.53 0.00 -0.30 0.00 0.00 42.92 40.42 2cr9 s ASP 67 CO -0.00 -0.86 1.93 -0.78 -0.17 0.00 0.00 175.17 175.28 2cr9 h ASP 68 N 4.31 0.90 0.36 -0.34 1.82 -1.86 0.64 116.42 122.24 2cr9 h ASP 68 Ca -0.48 -0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.16 2cr9 h ASP 68 Cb 1.23 -0.19 0.00 0.00 0.68 0.00 0.00 39.33 41.04 2cr9 h ASP 68 CO 0.74 0.59 0.00 0.29 -1.61 0.00 0.00 179.24 179.26 2cr9 n LYS 69 N -4.47 0.25 -2.88 0.28 5.02 -1.26 -4.91 118.16 110.18 2cr9 n LYS 69 Ca 0.13 0.12 -0.07 0.00 -2.02 0.00 0.00 58.31 56.46 2cr9 n LYS 69 Cb 0.17 -1.50 0.01 0.00 -0.02 0.00 0.00 35.03 33.68 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 -1.29 -2.24 0.08 1.97 1.02 0.22 -4.94 120.64 115.46 2cr9 n GLU 70 Ca 0.09 2.04 0.00 0.00 -0.02 0.00 0.00 57.16 59.26 2cr9 n GLU 70 Cb 0.15 -5.67 0.00 0.00 -0.02 0.00 0.00 31.44 25.90 2cr9 n GLU 70 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2cr9 n ASN 71 N -0.50 -1.38 -4.87 1.62 3.02 -1.26 -5.02 115.26 106.87 2cr9 n ASN 71 Ca 0.10 0.35 -0.36 0.00 -0.03 0.00 0.00 54.58 54.64 2cr9 n ASN 71 Cb 0.47 1.54 -0.06 0.00 -0.61 0.00 0.00 39.78 41.12 2cr9 n ASN 71 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 2cr9 s ARG 72 N -2.00 3.40 0.19 3.52 3.52 -1.26 -4.62 118.95 121.70 2cr9 s ARG 72 Ca 0.00 -0.19 0.02 0.00 -0.13 0.00 0.00 55.73 55.43 2cr9 s ARG 72 Cb 0.00 -3.14 -0.05 0.00 -1.56 0.00 0.00 34.95 30.20 2cr9 s ARG 72 CO 0.00 0.75 0.02 0.71 -0.81 0.00 0.00 175.30 175.97 2cr9 s TYR 73 N -1.08 1.26 0.10 5.12 1.51 -1.26 0.17 117.35 123.18 2cr9 s TYR 73 Ca 0.17 -1.05 0.01 0.00 -1.01 0.00 0.00 57.07 55.19 2cr9 s TYR 73 Cb -0.12 -0.72 -0.04 0.00 -0.11 0.00 0.00 41.96 40.97 2cr9 s TYR 73 CO 0.07 -0.24 -0.04 -1.58 -1.11 0.00 0.00 175.55 172.65 2cr9 s TRP 74 N -3.68 0.88 -0.31 2.71 0.51 -0.02 -0.08 118.94 118.95 2cr9 s TRP 74 Ca 0.26 -0.98 0.04 0.00 -2.12 0.00 0.00 56.10 53.29 2cr9 s TRP 74 Cb 0.06 -0.52 0.09 0.00 -0.81 0.00 0.00 33.47 32.29 2cr9 s TRP 74 CO 0.06 -0.23 -0.01 0.42 -0.51 0.00 0.00 176.95 176.68 2cr9 s ILE 75 N -3.72 2.21 0.01 2.03 -1.09 0.36 -2.47 121.20 118.53 2cr9 s ILE 75 Ca 0.14 -2.08 -0.17 0.00 -2.23 0.00 0.00 60.65 56.30 2cr9 s ILE 75 Cb 0.06 -2.52 -0.06 0.00 -1.58 0.00 0.00 42.46 38.36 2cr9 s ILE 75 CO -0.04 -0.40 0.49 0.12 -1.23 0.00 0.00 174.94 173.88 2cr9 s PHE 76 N 0.98 3.72 -0.18 3.97 5.36 -0.04 -2.58 117.98 129.21 2cr9 s PHE 76 Ca 0.04 1.09 -0.04 0.00 -0.96 0.00 0.00 56.93 57.06 2cr9 s PHE 76 Cb -0.19 -2.43 0.09 0.00 -0.34 0.00 0.00 43.02 40.15 2cr9 s PHE 76 CO -0.07 0.52 0.31 1.03 -1.46 0.00 0.00 175.22 175.55 2cr9 s ARG 77 N -0.73 0.23 -0.00 10.12 0.52 -0.58 -2.75 118.95 125.76 2cr9 s ARG 77 Ca 0.27 0.64 0.02 0.00 -0.52 0.00 0.00 55.73 56.14 2cr9 s ARG 77 Cb -0.18 -0.31 -0.03 0.00 0.52 0.00 0.00 34.95 34.95 2cr9 s ARG 77 CO 0.15 -0.44 -0.04 -1.54 0.02 0.00 0.00 175.30 173.45 2cr9 s SER 78 N 2.47 4.82 0.35 0.23 1.04 -0.91 -0.78 113.70 120.92 2cr9 s SER 78 Ca 0.05 -0.08 -0.08 0.00 0.48 0.00 0.00 55.95 56.31 2cr9 s SER 78 Cb -0.14 -1.19 0.02 0.00 0.10 0.00 0.00 66.02 64.82 2cr9 s SER 78 CO -0.12 0.29 0.58 -1.66 0.98 0.00 0.00 173.24 173.32 2cr9 s TRP 79 N -1.02 0.68 0.00 5.02 -2.14 -0.42 -1.30 118.94 119.76 2cr9 s TRP 79 Ca 0.18 -1.07 0.00 0.00 2.66 0.00 0.00 56.10 57.86 2cr9 s TRP 79 Cb -0.11 0.25 0.00 0.00 -3.10 0.00 0.00 33.47 30.51 2cr9 s TRP 79 CO 0.08 -1.27 0.00 0.41 -2.66 0.00 0.00 176.95 173.51 2cr9 n GLY 80 N -0.54 1.39 3.89 3.67 0.00 -1.22 -1.82 105.19 110.56 2cr9 n GLY 80 Ca -0.02 -1.99 -0.29 0.00 0.00 0.00 0.00 46.02 43.71 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 -1.19 1.30 -0.33 1.61 0.52 -1.26 -2.03 118.95 117.56 2cr9 s ARG 81 Ca 0.00 -0.08 -0.13 0.00 -0.52 0.00 0.00 55.73 55.01 2cr9 s ARG 81 Cb 0.00 -1.89 -0.02 0.00 0.52 0.00 0.00 34.95 33.56 2cr9 s ARG 81 CO 0.00 -2.02 0.23 0.08 0.02 0.00 0.00 175.30 173.61 2cr9 s VAL 82 N -3.66 5.26 -1.21 3.52 1.01 -1.13 -4.38 120.40 119.81 2cr9 s VAL 82 Ca 0.67 -0.20 -0.02 0.00 0.00 0.00 0.00 61.98 62.44 2cr9 s VAL 82 Cb -0.09 -3.69 0.00 0.00 0.00 0.00 0.00 36.38 32.61 2cr9 s VAL 82 CO 0.51 0.01 1.02 0.61 0.00 0.00 0.00 175.10 177.25 2cr9 n GLY 83 N 5.10 -0.38 2.06 4.51 0.00 -1.26 -4.94 105.19 110.28 2cr9 n GLY 83 Ca -0.13 0.12 -0.14 0.00 0.00 0.00 0.00 46.02 45.87 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 -4.24 0.00 0.08 2.61 -1.04 -1.26 -5.05 114.28 105.38 2cr9 n THR 84 Ca -0.24 -1.51 -0.10 0.00 -2.04 0.00 0.00 64.05 60.17 2cr9 n THR 84 Cb 0.65 0.63 -0.06 0.00 -1.82 0.00 0.00 70.33 69.73 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 1.52 1.53 -4.25 12.58 -1.51 -1.95 -3.46 116.25 120.71 2cr9 h VAL 85 Ca -0.18 -2.85 -0.52 0.00 -1.23 0.00 0.00 66.70 61.92 2cr9 h VAL 85 Cb 0.76 2.64 0.19 0.00 -2.13 0.00 0.00 31.29 32.75 2cr9 h VAL 85 CO 0.27 0.83 0.25 -0.63 -1.23 0.00 0.00 177.57 177.07 2cr9 s ILE 86 N -2.99 2.04 0.00 7.19 1.01 -1.26 -4.99 121.20 122.19 2cr9 s ILE 86 Ca -0.03 0.01 0.00 0.00 0.00 0.00 0.00 60.65 60.64 2cr9 s ILE 86 Cb 0.09 -2.13 0.00 0.00 0.01 0.00 0.00 42.46 40.43 2cr9 s ILE 86 CO 0.84 -0.02 0.00 0.61 0.00 0.00 0.00 174.94 176.38 2cr9 n GLY 87 N 0.29 2.95 3.35 6.18 0.00 -1.26 -4.20 105.19 112.50 2cr9 n GLY 87 Ca 0.12 -0.09 -0.10 0.00 0.00 0.00 0.00 46.02 45.95 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 0.06 0.34 1.61 0.01 -0.75 -4.99 113.70 109.97 2cr9 s SER 88 Ca 0.00 -1.08 0.07 0.00 1.31 0.00 0.00 55.95 56.25 2cr9 s SER 88 Cb 0.00 0.45 -0.03 0.00 0.21 0.00 0.00 66.02 66.65 2cr9 s SER 88 CO 0.00 -0.94 0.27 0.54 0.41 0.00 0.00 173.24 173.52 2cr9 s ASN 89 N -3.05 1.77 -0.19 2.44 4.22 -1.26 -1.31 114.94 117.57 2cr9 s ASN 89 Ca 0.26 -1.76 -0.09 0.00 -2.14 0.00 0.00 52.86 49.13 2cr9 s ASN 89 Cb 0.04 0.56 0.07 0.00 1.28 0.00 0.00 41.25 43.19 2cr9 s ASN 89 CO 0.07 -1.06 0.44 -0.75 -2.04 0.00 0.00 177.10 173.76 2cr9 s LYS 90 N -3.46 0.40 -0.25 3.55 2.20 0.04 -4.97 119.74 117.26 2cr9 s LYS 90 Ca 0.39 0.90 0.01 0.00 -0.36 0.00 0.00 55.97 56.91 2cr9 s LYS 90 Cb 0.02 0.10 0.06 0.00 -1.51 0.00 0.00 37.83 36.50 2cr9 s LYS 90 CO 0.27 -0.18 -0.04 -1.17 -0.36 0.00 0.00 175.35 173.86 2cr9 s LEU 91 N 1.77 2.70 -0.04 5.43 2.96 -1.26 -1.53 118.68 128.71 2cr9 s LEU 91 Ca -0.07 -1.27 0.06 0.00 -0.22 0.00 0.00 54.13 52.63 2cr9 s LEU 91 Cb -0.09 -1.20 -0.01 0.00 0.50 0.00 0.00 46.19 45.39 2cr9 s LEU 91 CO -0.13 -0.25 -0.24 -1.61 -1.32 0.00 0.00 176.35 172.79 2cr9 s GLU 92 N 1.37 2.30 -0.18 1.98 2.02 -1.06 -4.92 118.70 120.21 2cr9 s GLU 92 Ca -0.04 -0.86 -0.25 0.00 0.02 0.00 0.00 54.97 53.84 2cr9 s GLU 92 Cb -0.19 -2.02 -0.01 0.00 0.10 0.00 0.00 34.13 32.00 2cr9 s GLU 92 CO -0.07 0.41 0.81 -1.14 0.02 0.00 0.00 175.26 175.28 2cr9 s GLN 93 N -0.26 4.28 0.40 1.61 -0.44 -1.26 0.13 119.66 124.12 2cr9 s GLN 93 Ca 0.00 0.96 -0.13 0.00 -2.50 0.00 0.00 55.36 53.69 2cr9 s GLN 93 Cb -0.12 -3.58 -0.08 0.00 -1.64 0.00 0.00 33.01 27.59 2cr9 s GLN 93 CO 0.02 -0.34 0.81 -1.64 0.50 0.00 0.00 175.29 174.64 2cr9 s MET 94 N 2.19 3.89 -0.07 1.67 -1.94 0.89 -4.95 119.30 120.98 2cr9 s MET 94 Ca 0.37 0.64 -0.17 0.00 -1.71 0.00 0.00 55.69 54.82 2cr9 s MET 94 Cb -0.16 -2.35 -0.12 0.00 2.01 0.00 0.00 34.83 34.21 2cr9 s MET 94 CO 0.12 -0.03 0.64 -1.00 -0.01 0.00 0.00 175.02 174.74 2cr9 h PRO 95 N 1.49 -0.20 -6.41 2.03 0.13 -1.92 -3.36 132.00 123.77 2cr9 h PRO 95 Ca -0.47 0.01 -0.63 0.00 -0.87 0.00 0.00 66.00 64.04 2cr9 h PRO 95 Cb 1.18 0.05 -0.16 0.00 0.13 0.00 0.00 31.00 32.20 2cr9 h PRO 95 CO 0.64 0.17 -0.78 -1.12 -0.23 0.00 0.00 178.00 176.67 2cr9 s SER 96 N -5.48 3.57 0.18 1.44 0.01 -1.26 -4.86 113.70 107.31 2cr9 s SER 96 Ca -0.10 -0.93 -0.13 0.00 1.31 0.00 0.00 55.95 56.10 2cr9 s SER 96 Cb 0.00 -0.31 0.16 0.00 0.21 0.00 0.00 66.02 66.08 2cr9 s SER 96 CO 0.36 0.08 1.73 0.50 0.41 0.00 0.00 173.24 176.32 2cr9 h LYS 97 N 2.71 0.27 0.50 12.44 3.64 -1.91 -0.79 116.57 133.42 2cr9 h LYS 97 Ca -0.43 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 58.91 2cr9 h LYS 97 Cb 1.23 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.99 2cr9 h LYS 97 CO 0.54 0.18 -0.28 0.93 -2.27 0.00 0.00 179.45 178.55 2cr9 h GLU 98 N 0.28 -0.70 -0.54 1.90 5.08 -1.98 0.11 114.58 118.72 2cr9 h GLU 98 Ca 0.23 0.05 0.16 0.00 -1.00 0.00 0.00 59.36 58.80 2cr9 h GLU 98 Cb 0.28 0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 2cr9 h GLU 98 CO -0.27 -0.47 0.63 -0.44 -1.00 0.00 0.00 179.01 177.46 2cr9 h ASP 99 N -0.73 0.00 0.19 1.42 3.32 -1.84 0.93 116.42 119.71 2cr9 h ASP 99 Ca -0.06 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 56.73 2cr9 h ASP 99 Cb 0.58 0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.16 2cr9 h ASP 99 CO 0.08 0.00 -1.19 0.00 -1.72 0.00 0.00 179.24 176.41 2cr9 h ALA 100 N 1.26 -0.08 0.14 3.45 0.00 0.31 -2.99 119.26 121.35 2cr9 h ALA 100 Ca 0.26 -0.82 -0.01 0.00 0.00 0.00 0.00 54.91 54.34 2cr9 h ALA 100 Cb 1.51 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.49 2cr9 h ALA 100 CO -0.00 0.58 -0.07 0.82 0.00 0.00 0.00 179.25 180.58 2cr9 h ILE 101 N -0.14 0.98 -0.69 0.00 2.04 0.30 -0.36 117.51 119.64 2cr9 h ILE 101 Ca -0.22 -0.54 0.15 0.00 1.00 0.00 0.00 64.86 65.25 2cr9 h ILE 101 Cb 1.89 1.31 -0.11 0.00 -0.74 0.00 0.00 36.82 39.17 2cr9 h ILE 101 CO 0.19 0.13 0.13 -0.33 0.00 0.00 0.00 178.15 178.27 2cr9 h GLU 102 N -0.45 0.22 -0.60 2.37 5.08 -0.07 1.47 114.58 122.59 2cr9 h GLU 102 Ca -0.02 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 2cr9 h GLU 102 Cb 0.36 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 2cr9 h GLU 102 CO 0.03 0.15 0.23 1.25 -1.00 0.00 0.00 179.01 179.67 2cr9 h HIS 103 N 0.23 0.93 -0.10 4.33 2.76 -1.37 0.25 115.15 122.18 2cr9 h HIS 103 Ca 0.38 -0.08 -0.10 0.00 -2.20 0.00 0.00 60.37 58.37 2cr9 h HIS 103 Cb 0.64 -0.28 -0.01 0.00 1.55 0.00 0.00 27.41 29.31 2cr9 h HIS 103 CO -0.29 0.75 -0.39 0.35 -1.30 0.00 0.00 177.93 177.05 2cr9 h PHE 104 N 0.84 0.26 -0.02 5.26 3.57 0.11 0.85 116.94 127.82 2cr9 h PHE 104 Ca 0.20 -0.07 -0.22 0.00 3.53 0.00 0.00 57.97 61.41 2cr9 h PHE 104 Cb 0.22 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 38.91 2cr9 h PHE 104 CO 0.01 0.59 -0.91 0.52 -2.23 0.00 0.00 178.31 176.29 2cr9 h MET 105 N 0.19 0.43 0.17 1.11 2.86 0.24 -2.87 114.93 117.06 2cr9 h MET 105 Ca 0.02 -0.44 -0.25 0.00 -2.06 0.00 0.00 59.70 56.97 2cr9 h MET 105 Cb 0.78 0.12 0.02 0.00 0.06 0.00 0.00 31.60 32.59 2cr9 h MET 105 CO 0.06 1.10 -1.12 -0.22 1.06 0.00 0.00 176.91 177.79 2cr9 h LYS 106 N 0.25 0.37 -0.20 1.72 3.64 -0.33 -3.15 116.57 118.87 2cr9 h LYS 106 Ca -0.07 -0.63 0.05 0.00 -1.27 0.00 0.00 60.65 58.73 2cr9 h LYS 106 Cb 1.54 0.23 -0.07 0.00 -0.41 0.00 0.00 32.23 33.52 2cr9 h LYS 106 CO 0.16 1.30 -0.44 -0.07 -2.27 0.00 0.00 179.45 178.12 2cr9 h LEU 107 N -0.20 -1.42 -0.49 5.20 3.38 0.65 1.68 115.31 124.12 2cr9 h LEU 107 Ca -0.20 0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2cr9 h LEU 107 Cb 1.83 0.58 0.00 0.00 0.09 0.00 0.00 40.66 43.16 2cr9 h LEU 107 CO 0.18 -0.42 0.00 0.00 0.09 0.00 0.00 178.44 178.28 2cr9 n TYR 108 N -5.43 0.30 -0.04 1.13 9.36 -1.08 -0.82 117.16 120.57 2cr9 n TYR 108 Ca -0.04 0.14 -0.02 0.00 3.32 0.00 0.00 57.90 61.31 2cr9 n TYR 108 Cb 0.36 -0.73 -0.14 0.00 -0.63 0.00 0.00 39.34 38.20 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 -1.79 0.66 0.18 2.98 2.13 0.31 -3.22 120.64 121.88 2cr9 n GLU 109 Ca 0.00 0.00 0.03 0.00 0.66 0.00 0.00 57.16 57.86 2cr9 n GLU 109 Cb 0.06 -1.60 0.34 0.00 0.27 0.00 0.00 31.44 30.52 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 0.00 0.00 5.31 4.11 0.41 1.30 114.58 125.71 2cr9 h GLU 110 Ca -0.30 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.13 2cr9 h GLU 110 Cb 1.74 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.99 2cr9 h GLU 110 CO 0.03 0.41 -0.18 0.87 0.07 0.00 0.00 179.01 180.21 2cr9 h LYS 111 N 0.00 0.00 -0.66 1.06 1.79 -1.66 -3.39 116.57 113.71 2cr9 h LYS 111 Ca -0.00 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.41 2cr9 h LYS 111 Cb 0.79 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.42 2cr9 h LYS 111 CO 0.05 0.00 0.20 1.79 -1.08 0.00 0.00 179.45 180.41 2cr9 h THR 112 N -0.53 1.25 0.00 -0.16 1.35 -1.54 -2.38 112.91 110.89 2cr9 h THR 112 Ca 0.00 -0.85 0.00 0.00 -0.55 0.00 0.00 66.41 65.01 2cr9 h THR 112 Cb 0.18 0.52 0.00 0.00 -1.73 0.00 0.00 68.15 67.12 2cr9 h THR 112 CO 0.00 0.33 0.00 0.61 -0.25 0.00 0.00 175.52 176.21 2cr9 n GLY 113 N -0.83 3.20 3.94 5.82 0.00 0.45 -4.33 105.19 113.44 2cr9 n GLY 113 Ca 0.05 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.81 2cr9 n GLY 113 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2cr9 s ASN 114 N -1.12 6.35 0.27 1.61 0.01 -1.22 -4.86 114.94 115.98 2cr9 s ASN 114 Ca 0.00 0.20 -0.29 0.00 -0.71 0.00 0.00 52.86 52.06 2cr9 s ASN 114 Cb 0.00 -1.92 -0.10 0.00 0.41 0.00 0.00 41.25 39.64 2cr9 s ASN 114 CO 0.00 0.06 1.30 0.00 -1.51 0.00 0.00 177.10 176.94 2cr9 s ALA 115 N -1.73 3.51 0.45 0.60 0.00 -1.26 -3.82 121.76 119.51 2cr9 s ALA 115 Ca 0.35 1.17 0.32 0.00 0.00 0.00 0.00 51.96 53.80 2cr9 s ALA 115 Cb -0.11 -3.47 1.45 0.00 0.00 0.00 0.00 23.12 20.99 2cr9 s ALA 115 CO 0.28 -0.56 1.63 2.35 0.00 0.00 0.00 175.76 179.47 2cr9 h TRP 116 N 4.31 0.46 -2.97 0.00 2.91 -1.86 -2.84 115.95 115.96 2cr9 h TRP 116 Ca -0.47 0.02 -0.60 0.00 1.13 0.00 0.00 58.89 58.97 2cr9 h TRP 116 Cb 1.22 -0.11 -0.40 0.00 -0.51 0.00 0.00 29.16 29.36 2cr9 h TRP 116 CO 0.59 -0.17 -0.75 -1.01 -1.03 0.00 0.00 178.44 176.06 2cr9 s HIS 117 N -5.25 1.78 -0.46 2.65 3.76 -1.26 -4.98 115.29 111.53 2cr9 s HIS 117 Ca -0.07 -2.20 0.07 0.00 -0.15 0.00 0.00 55.06 52.70 2cr9 s HIS 117 Cb 0.29 -1.74 0.25 0.00 1.11 0.00 0.00 32.58 32.49 2cr9 s HIS 117 CO 0.83 -0.81 0.81 0.43 -0.85 0.00 0.00 174.74 175.15 2cr9 n SER 118 N 3.86 -2.05 -0.79 1.40 7.64 -1.07 -5.14 113.62 117.47 2cr9 n SER 118 Ca 0.07 -3.17 0.09 0.00 1.01 0.00 0.00 58.87 56.86 2cr9 n SER 118 Cb 0.36 1.19 -0.02 0.00 -1.01 0.00 0.00 64.21 64.73 2cr9 n SER 118 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2cr9 n LYS 119 N 1.50 -1.29 -1.12 1.43 4.01 -1.26 -4.68 118.16 116.74 2cr9 n LYS 119 Ca 0.12 0.85 -0.37 0.00 -0.51 0.00 0.00 58.31 58.40 2cr9 n LYS 119 Cb 0.61 -1.58 0.03 0.00 -0.51 0.00 0.00 35.03 33.59 2cr9 n LYS 119 CO 0.00 0.00 0.00 -1.71 -1.11 0.00 0.00 177.40 174.58 2cr9 n ASN 120 N -4.15 -4.46 -4.84 4.39 5.15 -1.26 -4.92 115.26 105.18 2cr9 n ASN 120 Ca 0.00 0.42 -0.37 0.00 -0.60 0.00 0.00 54.58 54.03 2cr9 n ASN 120 Cb 0.29 -0.86 -0.06 0.00 -0.53 0.00 0.00 39.78 38.62 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 -2.00 3.63 -0.36 1.20 5.36 -1.26 -5.07 117.98 119.48 2cr9 s PHE 121 Ca 0.50 0.71 -0.12 0.00 -0.96 0.00 0.00 56.93 57.05 2cr9 s PHE 121 Cb -0.33 -2.13 0.00 0.00 -0.34 0.00 0.00 43.02 40.23 2cr9 s PHE 121 CO 0.73 0.63 0.23 0.99 -1.46 0.00 0.00 175.22 176.34 2cr9 s THR 122 N -0.82 5.02 -0.78 0.12 2.01 -1.26 -5.01 115.64 114.92 2cr9 s THR 122 Ca 0.18 -0.47 -0.25 0.00 0.31 0.00 0.00 61.69 61.46 2cr9 s THR 122 Cb -0.14 -3.66 -0.05 0.00 0.01 0.00 0.00 72.50 68.66 2cr9 s THR 122 CO 0.07 -0.10 2.02 -0.75 -0.69 0.00 0.00 174.62 175.18 2cr9 s LYS 123 N 1.66 2.40 0.53 4.92 2.36 -1.26 -4.94 119.74 125.41 2cr9 s LYS 123 Ca 0.05 0.19 -0.04 0.00 -2.55 0.00 0.00 55.97 53.62 2cr9 s LYS 123 Cb -0.18 -4.81 -0.00 0.00 -1.05 0.00 0.00 37.83 31.79 2cr9 s LYS 123 CO 0.09 -3.35 0.81 0.71 1.55 0.00 0.00 175.35 175.16 2cr9 s TYR 124 N 10.64 3.30 -0.05 4.03 2.02 -1.26 -5.02 117.35 131.01 2cr9 s TYR 124 Ca 0.74 0.55 -0.30 0.00 -0.37 0.00 0.00 57.07 57.70 2cr9 s TYR 124 Cb -0.10 -2.53 -0.04 0.00 -0.40 0.00 0.00 41.96 38.90 2cr9 s TYR 124 CO 0.08 -0.58 1.22 -1.25 -1.57 0.00 0.00 175.55 173.45 2cr9 s PRO 125 N -4.81 4.35 0.00 -1.71 0.04 -1.26 -2.30 135.00 129.31 2cr9 s PRO 125 Ca 0.51 1.70 0.00 0.00 0.04 0.00 0.00 61.00 63.25 2cr9 s PRO 125 Cb -0.10 -3.55 0.00 0.00 0.04 0.00 0.00 34.50 30.89 2cr9 s PRO 125 CO 0.43 -0.45 0.00 1.63 0.04 0.00 0.00 177.00 178.65 2cr9 n LYS 126 N 5.17 0.00 -3.13 4.56 5.02 -1.26 -4.98 118.16 123.54 2cr9 n LYS 126 Ca 0.11 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 56.01 2cr9 n LYS 126 Cb 0.46 -2.56 -0.05 0.00 -0.02 0.00 0.00 35.03 32.86 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 -0.07 4.40 -0.03 1.97 -0.14 -0.97 -4.98 119.74 119.92 2cr9 s LYS 127 Ca 0.00 0.77 -0.30 0.00 -1.36 0.00 0.00 55.97 55.08 2cr9 s LYS 127 Cb 0.00 -3.42 -0.06 0.00 -1.68 0.00 0.00 37.83 32.68 2cr9 s LYS 127 CO 0.00 0.16 1.54 -0.06 -0.76 0.00 0.00 175.35 176.22 2cr9 s PHE 128 N 0.52 2.40 0.31 3.18 0.08 -0.89 -4.65 117.98 118.92 2cr9 s PHE 128 Ca 0.34 0.49 0.08 0.00 0.12 0.00 0.00 56.93 57.95 2cr9 s PHE 128 Cb -0.17 -3.80 -0.03 0.00 -0.57 0.00 0.00 43.02 38.44 2cr9 s PHE 128 CO 0.17 -3.21 0.20 1.52 -0.10 0.00 0.00 175.22 173.79 2cr9 s TYR 129 N 3.27 2.87 -0.16 0.36 -0.85 -1.21 -3.33 117.35 118.29 2cr9 s TYR 129 Ca 0.69 -0.28 -0.29 0.00 -0.52 0.00 0.00 57.07 56.67 2cr9 s TYR 129 Cb -0.32 -1.60 -0.01 0.00 0.38 0.00 0.00 41.96 40.40 2cr9 s TYR 129 CO 0.27 0.35 1.28 -1.25 -1.52 0.00 0.00 175.55 174.68 2cr9 s PRO 130 N -3.88 4.22 0.00 -3.49 0.04 -1.26 -0.11 135.00 130.52 2cr9 s PRO 130 Ca 0.37 1.67 0.00 0.00 0.04 0.00 0.00 61.00 63.08 2cr9 s PRO 130 Cb -0.05 -3.77 0.00 0.00 0.04 0.00 0.00 34.50 30.71 2cr9 s PRO 130 CO 0.24 -0.72 0.40 1.28 0.04 0.00 0.00 177.00 178.24 2cr9 n LEU 131 N 6.65 0.79 -4.56 -3.56 4.77 -0.52 -4.36 117.00 116.21 2cr9 n LEU 131 Ca 0.14 0.47 -0.17 0.00 -0.03 0.00 0.00 56.01 56.42 2cr9 n LEU 131 Cb 0.45 -0.18 -0.06 0.00 -2.33 0.00 0.00 43.42 41.30 2cr9 n LEU 131 CO 0.56 -0.18 1.27 -1.61 -1.33 0.00 0.00 177.39 176.11 2cr9 s GLU 132 N -1.15 1.85 0.21 3.23 2.02 -1.26 -4.88 118.70 118.72 2cr9 s GLU 132 Ca 0.00 0.33 -0.32 0.00 0.02 0.00 0.00 54.97 55.00 2cr9 s GLU 132 Cb 0.00 -4.84 -0.14 0.00 0.10 0.00 0.00 34.13 29.25 2cr9 s GLU 132 CO 0.00 -4.15 1.34 -0.89 0.02 0.00 0.00 175.26 171.58 2cr9 n ILE 133 N 8.54 0.88 0.00 -1.63 2.08 -1.26 -4.93 119.36 123.03 2cr9 n ILE 133 Ca 0.45 -0.22 0.00 0.00 0.56 0.00 0.00 62.75 63.54 2cr9 n ILE 133 Cb 0.44 -1.27 0.00 0.00 -0.75 0.00 0.00 39.64 38.06 2cr9 n ILE 133 CO 0.00 0.00 0.00 -0.24 0.56 0.00 0.00 176.55 176.87 2cr9 n SER 134 N 2.17 0.00 0.00 4.38 2.88 -1.26 -5.18 113.62 116.61 2cr9 n SER 134 Ca 0.13 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.67 2cr9 n SER 134 Cb 0.29 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.75 2cr9 n SER 134 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cr9 n GLY 135 N 0.00 2.40 1.79 0.46 0.00 -1.26 -5.17 105.19 103.40 2cr9 n GLY 135 Ca 0.00 -0.35 -0.14 0.00 0.00 0.00 0.00 46.02 45.53 2cr9 n GLY 135 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2cr9 n PRO 136 N -0.52 -1.33 -0.11 1.61 -0.04 -1.26 -5.05 135.00 128.30 2cr9 n PRO 136 Ca 0.00 -0.92 -0.17 0.00 -0.04 0.00 0.00 63.50 62.36 2cr9 n PRO 136 Cb 0.00 -0.73 -0.06 0.00 -0.04 0.00 0.00 33.50 32.67 2cr9 n PRO 136 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2cr9 n SER 137 N -3.66 1.92 0.00 3.54 2.88 -1.26 -5.00 113.62 112.04 2cr9 n SER 137 Ca 0.08 0.38 0.00 0.00 -1.33 0.00 0.00 58.87 58.00 2cr9 n SER 137 Cb 0.28 -0.81 0.00 0.00 -0.75 0.00 0.00 64.21 62.94 2cr9 n SER 137 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2cr9 n SER 138 N -4.40 0.00 0.00 -3.46 7.64 -1.26 -4.45 113.62 107.69 2cr9 n SER 138 Ca -0.30 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.58 2cr9 n SER 138 Cb 0.64 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.84 2cr9 n SER 138 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64