#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 -0.10 0.20 1.61 1.04 -1.26 -5.19 113.70 110.00 2cr9 s SER 2 Ca 0.00 -0.20 -0.14 0.00 0.48 0.00 0.00 55.95 56.09 2cr9 s SER 2 Cb 0.00 0.26 0.01 0.00 0.10 0.00 0.00 66.02 66.39 2cr9 s SER 2 CO 0.00 -0.47 0.44 -0.94 0.98 0.00 0.00 173.24 173.25 2cr9 s SER 3 N -2.92 -0.13 0.27 7.02 1.04 -1.26 -5.18 113.70 112.54 2cr9 s SER 3 Ca 0.13 -0.70 -0.03 0.00 0.48 0.00 0.00 55.95 55.84 2cr9 s SER 3 Cb 0.03 0.54 0.01 0.00 0.10 0.00 0.00 66.02 66.69 2cr9 s SER 3 CO -0.02 -1.02 0.41 0.61 0.98 0.00 0.00 173.24 174.19 2cr9 n GLY 4 N -0.31 2.18 3.29 7.32 0.00 -1.26 -5.19 105.19 111.23 2cr9 n GLY 4 Ca -0.07 -1.51 -0.12 0.00 0.00 0.00 0.00 46.02 44.32 2cr9 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cr9 s SER 5 N -2.65 -0.19 0.19 1.61 0.01 -1.26 -5.18 113.70 106.24 2cr9 s SER 5 Ca 0.21 -0.18 -0.08 0.00 1.31 0.00 0.00 55.95 57.21 2cr9 s SER 5 Cb -0.01 0.41 -0.02 0.00 0.21 0.00 0.00 66.02 66.61 2cr9 s SER 5 CO 0.15 -0.70 0.29 -0.94 0.41 0.00 0.00 173.24 172.45 2cr9 s SER 6 N -2.27 0.05 0.00 2.44 1.04 -1.26 -5.18 113.70 108.52 2cr9 s SER 6 Ca -0.03 -1.03 0.00 0.00 0.48 0.00 0.00 55.95 55.37 2cr9 s SER 6 Cb 0.00 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.58 2cr9 s SER 6 CO -0.06 -0.94 0.00 0.61 0.98 0.00 0.00 173.24 173.84 2cr9 n GLY 7 N -0.27 1.28 2.87 7.32 0.00 -1.26 -5.10 105.19 110.04 2cr9 n GLY 7 Ca -0.03 -1.60 -0.03 0.00 0.00 0.00 0.00 46.02 44.36 2cr9 n GLY 7 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2cr9 s LYS 8 N 1.59 0.98 0.11 1.61 2.47 -1.26 -5.15 119.74 120.09 2cr9 s LYS 8 Ca 0.00 -0.83 0.06 0.00 -1.56 0.00 0.00 55.97 53.64 2cr9 s LYS 8 Cb 0.00 -0.01 -0.04 0.00 -1.46 0.00 0.00 37.83 36.32 2cr9 s LYS 8 CO 0.00 -1.25 -0.02 -1.12 0.16 0.00 0.00 175.35 173.12 2cr9 s SER 9 N 1.13 4.84 -0.30 1.43 0.01 -1.26 -5.10 113.70 114.45 2cr9 s SER 9 Ca 0.26 -0.27 -0.17 0.00 1.31 0.00 0.00 55.95 57.08 2cr9 s SER 9 Cb -0.01 -1.08 0.18 0.00 0.21 0.00 0.00 66.02 65.32 2cr9 s SER 9 CO -0.06 0.16 1.18 -0.70 0.41 0.00 0.00 173.24 174.23 2cr9 s GLU 10 N -2.42 0.12 0.00 12.44 2.12 -1.26 -4.98 118.70 124.72 2cr9 s GLU 10 Ca 0.25 0.27 0.00 0.00 0.36 0.00 0.00 54.97 55.85 2cr9 s GLU 10 Cb -0.11 0.16 0.00 0.00 0.26 0.00 0.00 34.13 34.44 2cr9 s GLU 10 CO 0.17 -0.06 0.00 1.63 -0.54 0.00 0.00 175.26 176.46 2cr9 n LYS 11 N 4.89 -2.12 -3.24 4.30 5.02 -1.26 -5.04 118.16 120.71 2cr9 n LYS 11 Ca -0.07 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.83 2cr9 n LYS 11 Cb 0.54 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.50 2cr9 n LYS 11 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2cr9 s ARG 12 N -2.00 4.31 -0.26 1.97 3.00 -1.26 -4.64 118.95 120.07 2cr9 s ARG 12 Ca 0.00 0.64 -0.29 0.00 0.00 0.00 0.00 55.73 56.08 2cr9 s ARG 12 Cb 0.00 -3.37 0.18 0.00 0.00 0.00 0.00 34.95 31.75 2cr9 s ARG 12 CO 0.00 0.30 1.27 1.41 0.00 0.00 0.00 175.30 178.28 2cr9 s MET 13 N 0.09 0.20 -0.05 3.54 1.75 -1.26 -4.69 119.30 118.87 2cr9 s MET 13 Ca 0.30 0.06 0.02 0.00 -1.25 0.00 0.00 55.69 54.82 2cr9 s MET 13 Cb -0.17 0.09 0.01 0.00 2.84 0.00 0.00 34.83 37.60 2cr9 s MET 13 CO 0.15 -0.06 -0.12 0.21 -0.65 0.00 0.00 175.02 174.55 2cr9 s LYS 14 N -0.93 1.52 -0.28 4.11 2.36 -1.26 -3.93 119.74 121.33 2cr9 s LYS 14 Ca 0.06 -0.40 -0.24 0.00 -2.55 0.00 0.00 55.97 52.84 2cr9 s LYS 14 Cb -0.01 -1.29 0.11 0.00 -1.05 0.00 0.00 37.83 35.58 2cr9 s LYS 14 CO -0.06 0.07 0.93 -1.17 1.55 0.00 0.00 175.35 176.66 2cr9 s LEU 15 N 0.51 -0.55 0.06 5.43 0.20 -1.26 -4.96 118.68 118.11 2cr9 s LEU 15 Ca -0.11 1.05 -0.07 0.00 0.69 0.00 0.00 54.13 55.69 2cr9 s LEU 15 Cb -0.14 2.05 -0.30 0.00 -0.43 0.00 0.00 46.19 47.37 2cr9 s LEU 15 CO 0.03 -0.18 1.08 0.00 -0.29 0.00 0.00 176.35 176.99 2cr9 h THR 16 N 3.86 1.42 -2.89 3.68 1.03 -1.96 -3.44 112.91 114.61 2cr9 h THR 16 Ca -0.28 -2.96 0.29 0.00 -0.01 0.00 0.00 66.41 63.45 2cr9 h THR 16 Cb 1.18 2.96 -0.16 0.00 -1.07 0.00 0.00 68.15 71.06 2cr9 h THR 16 CO 0.10 0.87 -1.03 0.18 -0.01 0.00 0.00 175.52 175.63 2cr9 n LEU 17 N -3.57 -0.85 -4.05 0.00 4.77 -1.26 -4.91 117.00 107.14 2cr9 n LEU 17 Ca -0.11 1.97 -0.27 0.00 -0.03 0.00 0.00 56.01 57.57 2cr9 n LEU 17 Cb 1.05 -2.68 -0.17 0.00 -2.33 0.00 0.00 43.42 39.29 2cr9 n LEU 17 CO 0.55 -1.85 -0.48 -0.75 -1.33 0.00 0.00 177.39 173.53 2cr9 s LYS 18 N -3.97 2.00 0.00 3.23 2.36 -1.26 -5.02 119.74 117.08 2cr9 s LYS 18 Ca 0.00 -0.50 0.00 0.00 -2.55 0.00 0.00 55.97 52.92 2cr9 s LYS 18 Cb 0.00 -1.67 0.00 0.00 -1.05 0.00 0.00 37.83 35.11 2cr9 s LYS 18 CO 0.00 -0.01 0.00 0.41 1.55 0.00 0.00 175.35 177.30 2cr9 n GLY 19 N 4.00 1.04 3.94 5.54 0.00 -1.26 -5.08 105.19 113.37 2cr9 n GLY 19 Ca -0.20 -2.29 -0.24 0.00 0.00 0.00 0.00 46.02 43.28 2cr9 n GLY 19 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2cr9 s GLY 20 N 0.00 1.41 0.57 -0.02 0.00 -1.26 -4.94 107.32 103.08 2cr9 s GLY 20 Ca 0.00 -0.89 -0.04 0.00 0.00 0.00 0.00 44.72 43.79 2cr9 s GLY 20 CO 0.00 -0.83 0.85 0.00 0.00 0.00 0.00 173.10 173.13 2cr9 s ALA 21 N -2.25 3.42 0.01 3.20 0.00 -1.26 -5.05 121.76 119.83 2cr9 s ALA 21 Ca 0.40 -0.83 -0.22 0.00 0.00 0.00 0.00 51.96 51.31 2cr9 s ALA 21 Cb -0.10 -2.47 -0.05 0.00 0.00 0.00 0.00 23.12 20.50 2cr9 s ALA 21 CO 0.35 -0.75 0.66 0.00 0.00 0.00 0.00 175.76 176.02 2cr9 s ALA 22 N -2.90 3.44 0.34 0.00 0.00 -1.26 -4.13 121.76 117.24 2cr9 s ALA 22 Ca 0.53 0.12 -0.15 0.00 0.00 0.00 0.00 51.96 52.47 2cr9 s ALA 22 Cb -0.10 -2.84 -0.09 0.00 0.00 0.00 0.00 23.12 20.09 2cr9 s ALA 22 CO 0.43 0.12 0.75 0.08 0.00 0.00 0.00 175.76 177.15 2cr9 s VAL 23 N -0.12 4.68 0.32 0.00 1.01 -1.26 -4.87 120.40 120.16 2cr9 s VAL 23 Ca 0.34 0.93 -0.27 0.00 0.00 0.00 0.00 61.98 62.98 2cr9 s VAL 23 Cb -0.19 -3.63 -0.09 0.00 0.00 0.00 0.00 36.38 32.47 2cr9 s VAL 23 CO 0.19 -0.24 1.01 -1.81 0.00 0.00 0.00 175.10 174.25 2cr9 s ASP 24 N -2.39 7.23 0.49 3.32 1.11 -1.26 -4.74 116.67 120.43 2cr9 s ASP 24 Ca 0.54 2.01 0.28 0.00 0.18 0.00 0.00 52.55 55.56 2cr9 s ASP 24 Cb -0.10 -2.60 0.85 0.00 1.07 0.00 0.00 42.92 42.14 2cr9 s ASP 24 CO 0.19 -0.15 1.79 1.55 1.18 0.00 0.00 175.17 179.73 2cr9 h PRO 25 N 3.34 0.00 0.00 8.23 0.13 -1.96 -2.79 132.00 138.95 2cr9 h PRO 25 Ca -0.47 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.62 2cr9 h PRO 25 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 2cr9 h PRO 25 CO 0.65 0.02 -0.20 -0.44 -0.23 0.00 0.00 178.00 177.80 2cr9 h ASP 26 N 0.00 0.00 0.78 1.44 3.32 -2.02 -2.34 116.42 117.59 2cr9 h ASP 26 Ca -0.00 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.88 2cr9 h ASP 26 Cb 0.77 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.29 2cr9 h ASP 26 CO 0.00 0.20 -0.82 0.28 -1.72 0.00 0.00 179.24 177.18 2cr9 h SER 27 N 0.00 0.04 0.00 6.45 0.02 -1.89 -3.47 113.55 114.69 2cr9 h SER 27 Ca -0.00 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 2cr9 h SER 27 Cb 0.64 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.17 2cr9 h SER 27 CO 0.03 0.84 0.00 0.61 -1.14 0.00 0.00 176.83 177.16 2cr9 n GLY 28 N 0.81 3.22 1.24 -3.77 0.00 -0.88 -4.81 105.19 101.00 2cr9 n GLY 28 Ca -0.01 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.06 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 3.57 0.20 0.99 7.99 -1.26 -4.18 117.00 124.31 2cr9 n LEU 29 Ca 0.00 -1.81 0.06 0.00 -0.01 0.00 0.00 56.01 54.25 2cr9 n LEU 29 Cb 0.00 -0.56 0.54 0.00 -0.11 0.00 0.00 43.42 43.29 2cr9 n LEU 29 CO 0.00 0.49 1.00 1.05 -1.51 0.00 0.00 177.39 178.43 2cr9 h GLU 30 N 2.40 0.10 -0.01 3.23 4.11 -1.77 0.58 114.58 123.23 2cr9 h GLU 30 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.42 2cr9 h GLU 30 Cb 1.25 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.48 2cr9 h GLU 30 CO 0.25 0.15 0.00 -2.39 0.07 0.00 0.00 179.01 177.09 2cr9 n HIS 31 N -4.43 0.01 -0.02 2.06 1.44 -1.26 -4.71 115.22 108.32 2cr9 n HIS 31 Ca -0.02 -0.37 -0.06 0.00 -2.01 0.00 0.00 57.72 55.26 2cr9 n HIS 31 Cb 0.16 -0.04 -0.02 0.00 0.12 0.00 0.00 29.99 30.21 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 -0.34 1.14 -4.90 4.39 2.88 -0.89 -5.08 113.62 110.82 2cr9 n SER 32 Ca 0.00 0.18 -0.24 0.00 -1.33 0.00 0.00 58.87 57.47 2cr9 n SER 32 Cb 0.19 -0.41 -0.01 0.00 -0.75 0.00 0.00 64.21 63.23 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 -2.27 4.36 0.08 -1.46 0.00 0.20 -4.19 121.76 118.47 2cr9 s ALA 33 Ca -0.12 -1.51 0.01 0.00 0.00 0.00 0.00 51.96 50.34 2cr9 s ALA 33 Cb 0.03 -0.84 -0.04 0.00 0.00 0.00 0.00 23.12 22.27 2cr9 s ALA 33 CO 0.17 -0.44 -0.06 -3.38 0.00 0.00 0.00 175.76 172.05 2cr9 s HIS 34 N -2.70 0.75 -0.20 0.00 -3.43 -0.55 -4.41 115.29 104.75 2cr9 s HIS 34 Ca 0.40 -0.91 -0.35 0.00 -0.80 0.00 0.00 55.06 53.40 2cr9 s HIS 34 Cb -0.02 -0.46 -0.12 0.00 -1.43 0.00 0.00 32.58 30.54 2cr9 s HIS 34 CO 0.24 -0.21 1.96 0.28 -2.00 0.00 0.00 174.74 175.02 2cr9 n VAL 35 N 0.18 0.42 -1.62 -5.38 0.31 -1.26 -0.48 118.33 110.50 2cr9 n VAL 35 Ca -0.14 -0.16 -0.48 0.00 -0.01 0.00 0.00 64.34 63.55 2cr9 n VAL 35 Cb 0.60 -1.75 -0.05 0.00 -0.91 0.00 0.00 33.84 31.73 2cr9 n VAL 35 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 2cr9 n LEU 36 N 7.61 3.15 -4.73 7.52 0.00 0.50 -4.71 117.00 126.35 2cr9 n LEU 36 Ca 0.29 0.73 -0.33 0.00 0.00 0.00 0.00 56.01 56.69 2cr9 n LEU 36 Cb 0.26 -1.38 -0.08 0.00 0.00 0.00 0.00 43.42 42.22 2cr9 n LEU 36 CO 0.75 -0.30 -0.29 -1.61 0.00 0.00 0.00 177.39 175.95 2cr9 s GLU 37 N 4.92 2.94 -0.09 1.96 2.02 -1.26 -1.98 118.70 127.21 2cr9 s GLU 37 Ca 0.98 -0.52 -0.17 0.00 0.02 0.00 0.00 54.97 55.28 2cr9 s GLU 37 Cb -0.67 -2.78 0.04 0.00 0.10 0.00 0.00 34.13 30.83 2cr9 s GLU 37 CO 0.48 0.65 0.42 0.21 0.02 0.00 0.00 175.26 177.04 2cr9 s LYS 38 N -1.53 0.64 -1.69 1.61 2.20 0.03 -4.91 119.74 116.10 2cr9 s LYS 38 Ca 0.20 0.26 -0.14 0.00 -0.36 0.00 0.00 55.97 55.93 2cr9 s LYS 38 Cb -0.12 0.30 0.13 0.00 -1.51 0.00 0.00 37.83 36.63 2cr9 s LYS 38 CO 0.10 -0.14 0.55 0.41 -0.36 0.00 0.00 175.35 175.91 2cr9 n GLY 39 N 2.01 -0.34 2.76 5.54 0.00 -1.26 0.19 105.19 114.08 2cr9 n GLY 39 Ca -0.17 0.13 -0.21 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.59 -0.51 3.33 -0.02 0.00 -1.26 -4.98 105.19 100.16 2cr9 n GLY 40 Ca -0.04 0.07 -0.18 0.00 0.00 0.00 0.00 46.02 45.88 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 -5.42 1.28 -0.07 1.61 -0.14 0.50 -4.97 119.74 112.53 2cr9 s LYS 41 Ca 0.17 -1.57 0.02 0.00 -1.36 0.00 0.00 55.97 53.23 2cr9 s LYS 41 Cb -0.08 -1.02 -0.03 0.00 -1.68 0.00 0.00 37.83 35.03 2cr9 s LYS 41 CO 0.21 0.16 -0.10 0.08 -0.76 0.00 0.00 175.35 174.94 2cr9 s VAL 42 N -3.04 3.39 -0.24 3.17 1.01 -1.26 -0.79 120.40 122.64 2cr9 s VAL 42 Ca 0.22 -0.59 -0.05 0.00 0.00 0.00 0.00 61.98 61.56 2cr9 s VAL 42 Cb 0.00 -2.37 -0.09 0.00 0.00 0.00 0.00 36.38 33.92 2cr9 s VAL 42 CO 0.06 0.58 3.14 0.49 0.00 0.00 0.00 175.10 179.37 2cr9 n PHE 43 N 2.48 0.84 -3.85 5.22 3.01 -0.84 -4.74 117.46 119.57 2cr9 n PHE 43 Ca -0.18 -1.72 -0.30 0.00 1.01 0.00 0.00 57.45 56.26 2cr9 n PHE 43 Cb 0.53 -1.46 -0.15 0.00 -0.01 0.00 0.00 39.48 38.39 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 1.13 4.32 -0.04 4.37 0.15 -1.26 -2.33 113.70 120.05 2cr9 s SER 44 Ca 0.61 -1.86 0.06 0.00 0.70 0.00 0.00 55.95 55.46 2cr9 s SER 44 Cb 0.35 -1.17 -0.01 0.00 -1.71 0.00 0.00 66.02 63.47 2cr9 s SER 44 CO -0.11 -0.40 -0.22 0.00 1.20 0.00 0.00 173.24 173.71 2cr9 s ALA 45 N 1.31 1.91 -0.23 5.45 0.00 -1.05 -5.04 121.76 124.11 2cr9 s ALA 45 Ca 0.10 -0.93 -0.05 0.00 0.00 0.00 0.00 51.96 51.08 2cr9 s ALA 45 Cb -0.18 -0.57 -0.01 0.00 0.00 0.00 0.00 23.12 22.36 2cr9 s ALA 45 CO -0.18 0.40 -0.02 0.99 0.00 0.00 0.00 175.76 176.95 2cr9 s THR 46 N -0.24 3.58 0.42 0.00 2.01 -1.26 -1.86 115.64 118.29 2cr9 s THR 46 Ca 0.01 -0.42 0.08 0.00 0.31 0.00 0.00 61.69 61.66 2cr9 s THR 46 Cb -0.11 -2.64 -0.01 0.00 0.01 0.00 0.00 72.50 69.75 2cr9 s THR 46 CO 0.02 0.40 0.46 -0.76 -0.69 0.00 0.00 174.62 174.06 2cr9 s LEU 47 N 1.50 3.50 -0.29 4.42 1.43 0.00 -0.82 118.68 128.42 2cr9 s LEU 47 Ca 0.06 -0.61 -0.14 0.00 -1.03 0.00 0.00 54.13 52.40 2cr9 s LEU 47 Cb -0.14 -2.30 0.14 0.00 0.03 0.00 0.00 46.19 43.92 2cr9 s LEU 47 CO -0.02 -0.71 0.87 -0.83 0.23 0.00 0.00 176.35 175.90 2cr9 s GLY 48 N -4.23 -0.32 -0.02 -3.19 0.00 -0.01 -3.16 107.32 96.39 2cr9 s GLY 48 Ca 0.51 2.84 0.06 0.00 0.00 0.00 0.00 44.72 48.12 2cr9 s GLY 48 CO 0.30 2.93 -0.18 -2.27 0.00 0.00 0.00 173.10 173.87 2cr9 s LEU 49 N 2.16 2.02 -0.03 0.66 1.98 0.43 -3.77 118.68 122.14 2cr9 s LEU 49 Ca -0.06 -0.34 0.04 0.00 -2.89 0.00 0.00 54.13 50.88 2cr9 s LEU 49 Cb -0.07 -0.96 -0.00 0.00 0.66 0.00 0.00 46.19 45.82 2cr9 s LEU 49 CO -0.17 0.22 -0.13 -0.69 -1.89 0.00 0.00 176.35 173.68 2cr9 s VAL 50 N -0.39 1.10 0.08 1.68 1.01 -1.26 0.23 120.40 122.85 2cr9 s VAL 50 Ca 0.06 -0.56 -0.17 0.00 0.00 0.00 0.00 61.98 61.32 2cr9 s VAL 50 Cb -0.08 -0.94 -0.07 0.00 0.00 0.00 0.00 36.38 35.30 2cr9 s VAL 50 CO -0.00 0.32 0.53 -0.62 0.00 0.00 0.00 175.10 175.33 2cr9 s ASP 51 N -0.04 6.94 -0.13 3.32 -1.08 0.35 -4.96 116.67 121.06 2cr9 s ASP 51 Ca -0.00 1.15 0.04 0.00 -0.52 0.00 0.00 52.55 53.22 2cr9 s ASP 51 Cb -0.08 -2.32 -0.24 0.00 -1.46 0.00 0.00 42.92 38.83 2cr9 s ASP 51 CO 0.01 0.23 0.32 0.00 0.52 0.00 0.00 175.17 176.24 2cr9 n ILE 52 N 1.43 1.62 -0.05 4.11 3.06 -1.26 -2.82 119.36 125.46 2cr9 n ILE 52 Ca -0.09 -0.71 -0.01 0.00 -2.50 0.00 0.00 62.75 59.43 2cr9 n ILE 52 Cb 0.51 -1.28 -0.00 0.00 0.54 0.00 0.00 39.64 39.41 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 0.03 0.00 0.00 9.51 2.07 -1.97 -3.32 116.25 122.56 2cr9 h VAL 53 Ca -0.43 -0.89 0.00 0.00 0.82 0.00 0.00 66.70 66.20 2cr9 h VAL 53 Cb 2.04 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.81 2cr9 h VAL 53 CO 0.05 0.00 0.00 0.11 0.02 0.00 0.00 177.57 177.75 2cr9 h LYS 54 N -0.89 0.00 -3.67 1.57 1.79 -1.99 -3.45 116.57 109.92 2cr9 h LYS 54 Ca 0.00 0.00 -0.37 0.00 -2.18 0.00 0.00 60.65 58.10 2cr9 h LYS 54 Cb 0.14 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.79 2cr9 h LYS 54 CO 0.00 0.00 -0.50 0.41 -1.08 0.00 0.00 179.45 178.28 2cr9 n GLY 55 N -0.70 -0.50 4.03 3.86 0.00 -1.13 -4.97 105.19 105.77 2cr9 n GLY 55 Ca -0.01 0.03 -0.19 0.00 0.00 0.00 0.00 46.02 45.85 2cr9 n GLY 55 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2cr9 s THR 56 N -2.96 2.37 -0.03 2.61 -4.23 -1.21 -4.87 115.64 107.31 2cr9 s THR 56 Ca 0.09 -1.01 -0.00 0.00 -1.18 0.00 0.00 61.69 59.59 2cr9 s THR 56 Cb -0.04 -2.38 0.03 0.00 1.34 0.00 0.00 72.50 71.45 2cr9 s THR 56 CO 0.11 0.00 0.02 0.20 -0.54 0.00 0.00 174.62 174.41 2cr9 s ASN 57 N -4.57 0.43 0.23 3.99 -0.87 -1.26 -0.50 114.94 112.39 2cr9 s ASN 57 Ca 0.59 0.01 0.10 0.00 -1.57 0.00 0.00 52.86 51.99 2cr9 s ASN 57 Cb -0.07 -0.17 -0.05 0.00 -0.02 0.00 0.00 41.25 40.95 2cr9 s ASN 57 CO 0.37 -0.13 -0.17 -0.55 -2.57 0.00 0.00 177.10 174.05 2cr9 s SER 58 N 1.20 3.05 -0.21 -1.22 0.15 0.61 -2.25 113.70 115.04 2cr9 s SER 58 Ca -0.07 -1.01 -0.06 0.00 0.70 0.00 0.00 55.95 55.51 2cr9 s SER 58 Cb -0.13 -0.21 0.10 0.00 -1.71 0.00 0.00 66.02 64.07 2cr9 s SER 58 CO -0.02 -0.06 0.43 -0.72 1.20 0.00 0.00 173.24 174.07 2cr9 s TYR 59 N -2.66 -0.85 -0.28 3.44 -0.85 -0.93 -0.43 117.35 114.79 2cr9 s TYR 59 Ca 0.25 1.47 -0.06 0.00 -0.52 0.00 0.00 57.07 58.21 2cr9 s TYR 59 Cb -0.03 0.30 0.00 0.00 0.38 0.00 0.00 41.96 42.61 2cr9 s TYR 59 CO 0.10 -0.54 0.06 -0.47 -1.52 0.00 0.00 175.55 173.19 2cr9 s TYR 60 N 2.63 3.13 -0.16 -3.49 6.14 -1.19 -3.07 117.35 121.33 2cr9 s TYR 60 Ca 0.01 -0.95 -0.06 0.00 0.64 0.00 0.00 57.07 56.71 2cr9 s TYR 60 Cb -0.13 -2.23 -0.04 0.00 0.42 0.00 0.00 41.96 39.98 2cr9 s TYR 60 CO -0.14 -0.56 0.05 0.15 0.64 0.00 0.00 175.55 175.70 2cr9 s LYS 61 N 1.50 3.77 -0.03 4.97 -0.14 -0.84 -0.82 119.74 128.15 2cr9 s LYS 61 Ca 0.03 -0.35 0.07 0.00 -1.36 0.00 0.00 55.97 54.36 2cr9 s LYS 61 Cb -0.17 -3.13 -0.02 0.00 -1.68 0.00 0.00 37.83 32.84 2cr9 s LYS 61 CO 0.02 0.38 -0.24 -1.17 -0.76 0.00 0.00 175.35 173.58 2cr9 s LEU 62 N 0.06 2.16 -0.27 3.17 2.96 -0.78 -1.28 118.68 124.71 2cr9 s LEU 62 Ca 0.05 -0.43 -0.05 0.00 -0.22 0.00 0.00 54.13 53.48 2cr9 s LEU 62 Cb -0.12 -1.38 0.14 0.00 0.50 0.00 0.00 46.19 45.33 2cr9 s LEU 62 CO 0.01 0.31 0.53 -1.10 -1.32 0.00 0.00 176.35 174.78 2cr9 s GLN 63 N -0.56 0.47 -0.50 1.98 -0.21 -1.03 -2.54 119.66 117.27 2cr9 s GLN 63 Ca 0.08 1.03 -0.19 0.00 0.02 0.00 0.00 55.36 56.30 2cr9 s GLN 63 Cb -0.11 0.38 0.06 0.00 1.00 0.00 0.00 33.01 34.33 2cr9 s GLN 63 CO -0.00 -0.44 0.64 -1.17 -2.12 0.00 0.00 175.29 172.20 2cr9 s LEU 64 N 2.75 4.91 0.34 2.90 2.96 -0.98 -2.48 118.68 129.07 2cr9 s LEU 64 Ca 0.07 -0.86 -0.15 0.00 -0.22 0.00 0.00 54.13 52.97 2cr9 s LEU 64 Cb -0.14 -2.47 -0.09 0.00 0.50 0.00 0.00 46.19 43.99 2cr9 s LEU 64 CO -0.18 -0.90 0.76 -0.76 -1.32 0.00 0.00 176.35 173.95 2cr9 s LEU 65 N 2.69 4.04 -0.14 -0.68 1.43 -0.84 0.19 118.68 125.37 2cr9 s LEU 65 Ca 0.16 1.31 -0.06 0.00 -1.03 0.00 0.00 54.13 54.51 2cr9 s LEU 65 Cb -0.19 -4.12 0.06 0.00 0.03 0.00 0.00 46.19 41.98 2cr9 s LEU 65 CO 0.12 -0.23 0.29 -0.70 0.23 0.00 0.00 176.35 176.07 2cr9 s GLU 66 N -3.05 0.21 0.48 1.70 -6.30 0.37 -2.07 118.70 110.04 2cr9 s GLU 66 Ca 0.55 0.74 -0.24 0.00 -2.50 0.00 0.00 54.97 53.52 2cr9 s GLU 66 Cb -0.10 -0.00 -0.07 0.00 0.00 0.00 0.00 34.13 33.96 2cr9 s GLU 66 CO 0.18 -0.24 1.41 0.34 0.02 0.00 0.00 175.26 176.97 2cr9 s ASP 67 N 2.07 5.66 -0.19 -1.70 -1.08 0.43 -1.48 116.67 120.38 2cr9 s ASP 67 Ca -0.03 2.89 -0.15 0.00 -0.52 0.00 0.00 52.55 54.74 2cr9 s ASP 67 Cb -0.11 -2.65 -0.08 0.00 -1.46 0.00 0.00 42.92 38.62 2cr9 s ASP 67 CO -0.10 -1.32 -0.21 -0.67 0.52 0.00 0.00 175.17 173.40 2cr9 n ASP 68 N -0.47 1.89 0.00 -0.34 2.03 -1.26 -4.51 116.55 113.88 2cr9 n ASP 68 Ca 0.07 0.45 0.00 0.00 0.52 0.00 0.00 54.79 55.83 2cr9 n ASP 68 Cb 0.43 -0.83 0.00 0.00 -0.72 0.00 0.00 41.12 39.99 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 -4.48 0.00 0.00 -0.67 5.02 -1.26 -4.79 118.16 111.98 2cr9 n LYS 69 Ca -0.21 0.43 0.00 0.00 -2.02 0.00 0.00 58.31 56.51 2cr9 n LYS 69 Cb 0.51 -1.30 0.00 0.00 -0.02 0.00 0.00 35.03 34.22 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 -1.61 2.82 -3.63 1.97 -0.58 -1.26 -5.06 120.64 113.30 2cr9 n GLU 70 Ca 0.00 0.00 -0.29 0.00 -0.42 0.00 0.00 57.16 56.45 2cr9 n GLU 70 Cb 0.00 0.00 -0.13 0.00 -0.57 0.00 0.00 31.44 30.74 2cr9 n GLU 70 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 2cr9 s ASN 71 N -1.00 3.47 0.06 1.62 2.47 -1.26 -4.77 114.94 115.53 2cr9 s ASN 71 Ca 0.00 -2.31 -0.14 0.00 0.42 0.00 0.00 52.86 50.84 2cr9 s ASN 71 Cb 0.00 -0.78 0.02 0.00 -1.45 0.00 0.00 41.25 39.04 2cr9 s ASN 71 CO 0.00 -0.31 0.31 -0.60 -3.72 0.00 0.00 177.10 172.78 2cr9 s ARG 72 N 0.81 0.85 0.10 0.43 3.52 -1.26 -4.98 118.95 118.42 2cr9 s ARG 72 Ca 0.16 -0.57 -0.04 0.00 -0.13 0.00 0.00 55.73 55.16 2cr9 s ARG 72 Cb -0.23 0.36 -0.03 0.00 -1.56 0.00 0.00 34.95 33.50 2cr9 s ARG 72 CO -0.04 -0.28 0.09 0.71 -0.81 0.00 0.00 175.30 174.97 2cr9 s TYR 73 N -2.83 0.56 -0.01 5.12 1.51 -1.26 0.16 117.35 120.60 2cr9 s TYR 73 Ca -0.03 -1.00 -0.06 0.00 -1.01 0.00 0.00 57.07 54.97 2cr9 s TYR 73 Cb 0.00 -0.31 0.00 0.00 -0.11 0.00 0.00 41.96 41.54 2cr9 s TYR 73 CO -0.05 -0.51 0.11 -1.58 -1.11 0.00 0.00 175.55 172.41 2cr9 s TRP 74 N -3.96 0.04 -0.48 2.71 0.51 -0.88 -1.42 118.94 115.46 2cr9 s TRP 74 Ca 0.14 -0.09 -0.06 0.00 -2.12 0.00 0.00 56.10 53.97 2cr9 s TRP 74 Cb 0.07 -0.05 0.13 0.00 -0.81 0.00 0.00 33.47 32.80 2cr9 s TRP 74 CO -0.05 -0.23 0.31 0.42 -0.51 0.00 0.00 176.95 176.90 2cr9 s ILE 75 N -1.10 3.79 -0.28 2.03 -1.09 -0.39 -1.99 121.20 122.16 2cr9 s ILE 75 Ca -0.12 -2.10 -0.20 0.00 -2.23 0.00 0.00 60.65 56.00 2cr9 s ILE 75 Cb -0.07 -3.52 -0.02 0.00 -1.58 0.00 0.00 42.46 37.27 2cr9 s ILE 75 CO 0.01 -0.76 0.61 0.12 -1.23 0.00 0.00 174.94 173.69 2cr9 s PHE 76 N 1.02 3.24 -0.18 3.97 5.36 -1.03 -3.58 117.98 126.77 2cr9 s PHE 76 Ca 0.09 0.67 0.00 0.00 -0.96 0.00 0.00 56.93 56.73 2cr9 s PHE 76 Cb -0.23 -2.90 0.04 0.00 -0.34 0.00 0.00 43.02 39.59 2cr9 s PHE 76 CO -0.03 -0.39 -0.07 1.03 -1.46 0.00 0.00 175.22 174.29 2cr9 s ARG 77 N 2.52 1.69 0.06 10.12 0.52 -0.94 -2.45 118.95 130.47 2cr9 s ARG 77 Ca 0.25 -0.67 0.02 0.00 -0.52 0.00 0.00 55.73 54.81 2cr9 s ARG 77 Cb -0.15 -2.20 -0.04 0.00 0.52 0.00 0.00 34.95 33.08 2cr9 s ARG 77 CO 0.10 -0.44 0.10 -1.54 0.02 0.00 0.00 175.30 173.55 2cr9 s SER 78 N 1.53 5.69 -0.30 0.23 1.04 -0.40 -1.48 113.70 120.01 2cr9 s SER 78 Ca -0.00 0.07 -0.09 0.00 0.48 0.00 0.00 55.95 56.41 2cr9 s SER 78 Cb -0.16 -1.59 0.15 0.00 0.10 0.00 0.00 66.02 64.52 2cr9 s SER 78 CO -0.08 0.20 0.71 -1.66 0.98 0.00 0.00 173.24 173.38 2cr9 s TRP 79 N -1.36 -1.27 0.04 5.02 -2.14 0.16 -1.98 118.94 117.40 2cr9 s TRP 79 Ca 0.29 1.96 -0.01 0.00 2.66 0.00 0.00 56.10 60.99 2cr9 s TRP 79 Cb -0.12 0.67 0.01 0.00 -3.10 0.00 0.00 33.47 30.92 2cr9 s TRP 79 CO 0.21 -0.65 0.08 0.41 -2.66 0.00 0.00 176.95 174.34 2cr9 n GLY 80 N 5.38 2.06 3.88 3.67 0.00 -1.18 -1.67 105.19 117.33 2cr9 n GLY 80 Ca -0.09 -1.09 -0.36 0.00 0.00 0.00 0.00 46.02 44.48 2cr9 n GLY 80 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2cr9 s ARG 81 N -2.02 3.59 0.31 1.61 3.52 -1.18 -2.18 118.95 122.60 2cr9 s ARG 81 Ca 0.02 -0.02 -0.28 0.00 -0.13 0.00 0.00 55.73 55.32 2cr9 s ARG 81 Cb -0.00 -3.13 -0.09 0.00 -1.56 0.00 0.00 34.95 30.16 2cr9 s ARG 81 CO 0.01 0.69 1.07 0.08 -0.81 0.00 0.00 175.30 176.34 2cr9 s VAL 82 N -1.19 3.62 -1.23 7.11 1.01 -0.95 -3.63 120.40 125.14 2cr9 s VAL 82 Ca 0.23 1.50 -0.03 0.00 0.00 0.00 0.00 61.98 63.68 2cr9 s VAL 82 Cb -0.13 -3.90 -0.01 0.00 0.00 0.00 0.00 36.38 32.33 2cr9 s VAL 82 CO 0.12 0.26 0.82 0.61 0.00 0.00 0.00 175.10 176.91 2cr9 n GLY 83 N 0.94 -0.49 3.69 4.51 0.00 -1.26 -4.88 105.19 107.69 2cr9 n GLY 83 Ca 0.01 0.21 -0.11 0.00 0.00 0.00 0.00 46.02 46.13 2cr9 n GLY 83 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2cr9 s THR 84 N -3.53 0.00 -0.11 2.61 -4.23 -1.24 -5.04 115.64 104.10 2cr9 s THR 84 Ca 0.11 -1.24 0.22 0.00 -1.18 0.00 0.00 61.69 59.60 2cr9 s THR 84 Cb -0.02 -2.69 -0.22 0.00 1.34 0.00 0.00 72.50 70.91 2cr9 s THR 84 CO 0.78 0.00 0.65 1.33 -0.54 0.00 0.00 174.62 176.84 2cr9 n VAL 85 N -0.53 0.32 -1.77 2.29 0.24 -1.26 -4.90 118.33 112.72 2cr9 n VAL 85 Ca -0.04 -0.54 -0.42 0.00 -2.04 0.00 0.00 64.34 61.29 2cr9 n VAL 85 Cb 0.61 -0.16 -0.03 0.00 -1.47 0.00 0.00 33.84 32.78 2cr9 n VAL 85 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 2cr9 s ILE 86 N -3.39 3.02 -0.16 1.34 1.01 -1.26 -4.96 121.20 116.80 2cr9 s ILE 86 Ca -0.06 0.19 -0.06 0.00 0.00 0.00 0.00 60.65 60.73 2cr9 s ILE 86 Cb 0.12 -3.13 0.07 0.00 0.01 0.00 0.00 42.46 39.54 2cr9 s ILE 86 CO 0.86 -0.01 0.32 -0.83 0.00 0.00 0.00 174.94 175.29 2cr9 s GLY 87 N 3.68 -0.21 -0.12 6.18 0.00 -1.26 -3.11 107.32 112.48 2cr9 s GLY 87 Ca 0.83 1.16 0.03 0.00 0.00 0.00 0.00 44.72 46.74 2cr9 s GLY 87 CO 0.37 2.10 -0.20 -0.56 0.00 0.00 0.00 173.10 174.81 2cr9 s SER 88 N 2.42 2.87 0.34 1.64 0.01 -0.67 -5.00 113.70 115.31 2cr9 s SER 88 Ca -0.01 -0.53 0.03 0.00 1.31 0.00 0.00 55.95 56.75 2cr9 s SER 88 Cb -0.12 -1.32 -0.05 0.00 0.21 0.00 0.00 66.02 64.75 2cr9 s SER 88 CO -0.10 0.08 0.09 0.54 0.41 0.00 0.00 173.24 174.26 2cr9 s ASN 89 N 0.73 2.25 -0.13 2.44 4.22 -1.26 0.37 114.94 123.56 2cr9 s ASN 89 Ca -0.10 -1.47 -0.14 0.00 -2.14 0.00 0.00 52.86 49.00 2cr9 s ASN 89 Cb -0.16 0.15 0.04 0.00 1.28 0.00 0.00 41.25 42.56 2cr9 s ASN 89 CO 0.01 -0.74 0.39 -0.75 -2.04 0.00 0.00 177.10 173.98 2cr9 s LYS 90 N -3.86 0.49 -0.05 3.55 2.20 -0.55 -4.98 119.74 116.54 2cr9 s LYS 90 Ca 0.33 0.47 0.01 0.00 -0.36 0.00 0.00 55.97 56.42 2cr9 s LYS 90 Cb 0.07 0.24 0.02 0.00 -1.51 0.00 0.00 37.83 36.64 2cr9 s LYS 90 CO 0.15 -0.07 -0.06 -1.17 -0.36 0.00 0.00 175.35 173.84 2cr9 s LEU 91 N 0.04 1.33 -0.01 5.43 2.96 -1.26 -2.21 118.68 124.95 2cr9 s LEU 91 Ca -0.01 -0.16 -0.01 0.00 -0.22 0.00 0.00 54.13 53.72 2cr9 s LEU 91 Cb -0.03 -0.53 0.00 0.00 0.50 0.00 0.00 46.19 46.13 2cr9 s LEU 91 CO 0.01 -0.05 0.02 -1.61 -1.32 0.00 0.00 176.35 173.40 2cr9 s GLU 92 N 0.98 0.03 -0.07 1.98 2.02 -1.23 -4.98 118.70 117.42 2cr9 s GLU 92 Ca -0.10 0.03 -0.23 0.00 0.02 0.00 0.00 54.97 54.69 2cr9 s GLU 92 Cb -0.14 0.01 -0.04 0.00 0.10 0.00 0.00 34.13 34.06 2cr9 s GLU 92 CO -0.00 -0.00 0.70 -1.14 0.02 0.00 0.00 175.26 174.84 2cr9 s GLN 93 N 0.01 4.43 0.25 1.61 0.74 -1.26 -1.26 119.66 124.17 2cr9 s GLN 93 Ca -0.00 0.88 -0.09 0.00 0.05 0.00 0.00 55.36 56.19 2cr9 s GLN 93 Cb -0.00 -3.45 -0.07 0.00 1.10 0.00 0.00 33.01 30.58 2cr9 s GLN 93 CO 0.00 0.04 0.57 -1.64 -0.55 0.00 0.00 175.29 173.72 2cr9 s MET 94 N 0.87 3.80 -0.07 1.67 -1.94 -0.51 -4.98 119.30 118.13 2cr9 s MET 94 Ca 0.37 0.28 -0.18 0.00 -1.71 0.00 0.00 55.69 54.45 2cr9 s MET 94 Cb -0.18 -2.62 -0.14 0.00 2.01 0.00 0.00 34.83 33.91 2cr9 s MET 94 CO 0.18 0.28 0.68 -1.00 -0.01 0.00 0.00 175.02 175.14 2cr9 h PRO 95 N 2.37 -0.18 -5.81 2.03 0.13 -1.93 -3.39 132.00 125.23 2cr9 h PRO 95 Ca -0.47 0.01 -0.62 0.00 -0.87 0.00 0.00 66.00 64.05 2cr9 h PRO 95 Cb 1.17 0.04 -0.13 0.00 0.13 0.00 0.00 31.00 32.21 2cr9 h PRO 95 CO 0.68 0.23 -0.65 0.45 -0.23 0.00 0.00 178.00 178.48 2cr9 s SER 96 N -5.53 3.74 0.19 1.44 0.15 -1.26 -4.95 113.70 107.48 2cr9 s SER 96 Ca -0.11 -1.26 -0.11 0.00 0.70 0.00 0.00 55.95 55.17 2cr9 s SER 96 Cb -0.00 -0.36 0.12 0.00 -1.71 0.00 0.00 66.02 64.07 2cr9 s SER 96 CO 0.39 -0.30 1.83 0.50 1.20 0.00 0.00 173.24 176.86 2cr9 h LYS 97 N 1.94 0.92 0.94 5.44 3.64 -1.96 -2.49 116.57 125.00 2cr9 h LYS 97 Ca -0.43 -0.09 -0.05 0.00 -1.27 0.00 0.00 60.65 58.82 2cr9 h LYS 97 Cb 1.25 -0.19 0.01 0.00 -0.41 0.00 0.00 32.23 32.88 2cr9 h LYS 97 CO 0.74 0.66 -0.45 0.93 -2.27 0.00 0.00 179.45 179.06 2cr9 h GLU 98 N 0.92 -1.22 -1.37 1.90 5.08 -1.98 0.02 114.58 117.93 2cr9 h GLU 98 Ca 0.24 0.08 0.40 0.00 -1.00 0.00 0.00 59.36 59.08 2cr9 h GLU 98 Cb -0.02 0.28 -0.05 0.00 0.50 0.00 0.00 28.75 29.45 2cr9 h GLU 98 CO -0.04 -0.81 1.11 -0.44 -1.00 0.00 0.00 179.01 177.82 2cr9 h ASP 99 N -1.27 0.00 0.02 1.42 5.19 -1.94 1.35 116.42 121.19 2cr9 h ASP 99 Ca -0.13 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.24 2cr9 h ASP 99 Cb 0.97 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.48 2cr9 h ASP 99 CO 0.21 0.00 -0.17 0.00 -3.12 0.00 0.00 179.24 176.16 2cr9 h ALA 100 N 1.08 -0.00 -0.97 3.45 0.00 -0.85 -1.67 119.26 120.29 2cr9 h ALA 100 Ca 0.65 -0.49 0.01 0.00 0.00 0.00 0.00 54.91 55.08 2cr9 h ALA 100 Cb 2.86 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 20.61 2cr9 h ALA 100 CO -0.01 0.05 0.65 0.82 0.00 0.00 0.00 179.25 180.76 2cr9 h ILE 101 N -0.74 1.24 -0.58 0.00 2.04 0.33 -0.37 117.51 119.44 2cr9 h ILE 101 Ca -0.03 -0.45 -0.11 0.00 1.00 0.00 0.00 64.86 65.28 2cr9 h ILE 101 Cb 1.04 -0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 36.92 2cr9 h ILE 101 CO 0.03 0.24 -0.05 -0.33 0.00 0.00 0.00 178.15 178.04 2cr9 h GLU 102 N 1.32 1.05 0.00 2.37 5.08 0.26 0.61 114.58 125.26 2cr9 h GLU 102 Ca 0.36 -0.36 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2cr9 h GLU 102 Cb -0.14 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.03 2cr9 h GLU 102 CO -0.08 1.06 0.00 1.58 -1.00 0.00 0.00 179.01 180.57 2cr9 n HIS 103 N -4.17 0.00 -0.05 4.33 -0.00 -0.63 -1.18 115.22 113.53 2cr9 n HIS 103 Ca 0.02 0.00 -0.05 0.00 0.46 0.00 0.00 57.72 58.15 2cr9 n HIS 103 Cb 0.38 -0.11 -0.07 0.00 -0.12 0.00 0.00 29.99 30.07 2cr9 n HIS 103 CO 0.00 0.00 0.00 0.34 0.46 0.00 0.00 176.34 177.14 2cr9 n PHE 104 N -1.11 0.00 0.08 1.57 7.35 -0.23 -3.92 117.46 121.20 2cr9 n PHE 104 Ca 0.15 0.00 -0.15 0.00 -0.76 0.00 0.00 57.45 56.69 2cr9 n PHE 104 Cb 0.12 -0.44 -0.14 0.00 0.35 0.00 0.00 39.48 39.37 2cr9 n PHE 104 CO 0.00 0.00 0.00 0.52 -0.76 0.00 0.00 176.76 176.52 2cr9 h MET 105 N 0.00 0.22 0.05 -4.13 2.86 0.36 -3.10 114.93 111.18 2cr9 h MET 105 Ca -0.24 -0.38 -0.08 0.00 -2.06 0.00 0.00 59.70 56.94 2cr9 h MET 105 Cb 1.53 0.14 0.01 0.00 0.06 0.00 0.00 31.60 33.34 2cr9 h MET 105 CO 0.01 1.12 -0.34 -0.22 1.06 0.00 0.00 176.91 178.54 2cr9 h LYS 106 N 0.06 0.15 -0.15 1.72 3.64 -1.37 -3.02 116.57 117.61 2cr9 h LYS 106 Ca -0.17 -0.22 0.03 0.00 -1.27 0.00 0.00 60.65 59.02 2cr9 h LYS 106 Cb 1.97 0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 33.80 2cr9 h LYS 106 CO 0.17 1.06 -0.54 -0.07 -2.27 0.00 0.00 179.45 177.80 2cr9 h LEU 107 N -0.65 -1.73 -0.79 5.20 -0.00 -1.70 1.05 115.31 116.69 2cr9 h LEU 107 Ca -0.06 0.21 0.00 0.00 -0.00 0.00 0.00 57.88 58.03 2cr9 h LEU 107 Cb 1.21 0.68 0.00 0.00 -0.00 0.00 0.00 40.66 42.55 2cr9 h LEU 107 CO 0.06 -0.48 0.00 0.00 -0.00 0.00 0.00 178.44 178.02 2cr9 n TYR 108 N -5.41 0.40 0.05 1.13 4.19 -1.17 0.13 117.16 116.48 2cr9 n TYR 108 Ca -0.06 0.21 0.11 0.00 3.31 0.00 0.00 57.90 61.47 2cr9 n TYR 108 Cb 0.38 -0.84 -0.08 0.00 0.49 0.00 0.00 39.34 39.29 2cr9 n TYR 108 CO 0.00 0.00 0.00 -1.91 0.91 0.00 0.00 176.86 175.86 2cr9 n GLU 109 N -1.92 0.63 0.04 2.98 2.13 0.30 -2.90 120.64 121.91 2cr9 n GLU 109 Ca -0.01 -0.03 -0.07 0.00 0.66 0.00 0.00 57.16 57.72 2cr9 n GLU 109 Cb 0.02 -1.68 -0.12 0.00 0.27 0.00 0.00 31.44 29.93 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 0.44 -1.04 114.58 123.41 2cr9 h GLU 110 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2cr9 h GLU 110 Cb 1.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.26 2cr9 h GLU 110 CO 0.00 0.85 -0.10 0.87 0.07 0.00 0.00 179.01 180.70 2cr9 h LYS 111 N 0.00 0.00 -0.51 1.06 1.79 -1.55 -3.37 116.57 113.99 2cr9 h LYS 111 Ca -0.08 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.37 2cr9 h LYS 111 Cb 1.81 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 32.44 2cr9 h LYS 111 CO 0.11 0.00 0.23 1.79 -1.08 0.00 0.00 179.45 180.51 2cr9 h THR 112 N -0.47 1.17 0.00 -0.16 1.35 -1.46 -2.46 112.91 110.89 2cr9 h THR 112 Ca 0.00 -0.50 0.00 0.00 -0.55 0.00 0.00 66.41 65.36 2cr9 h THR 112 Cb 0.10 0.54 0.00 0.00 -1.73 0.00 0.00 68.15 67.06 2cr9 h THR 112 CO 0.00 0.20 0.00 0.61 -0.25 0.00 0.00 175.52 176.08 2cr9 n GLY 113 N -1.19 2.63 3.88 5.82 0.00 -0.39 -4.24 105.19 111.69 2cr9 n GLY 113 Ca 0.04 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.46 5.78 0.50 1.61 0.01 -1.24 -4.88 114.94 115.26 2cr9 s ASN 114 Ca 0.00 -0.16 -0.20 0.00 -0.71 0.00 0.00 52.86 51.79 2cr9 s ASN 114 Cb 0.00 -1.53 -0.08 0.00 0.41 0.00 0.00 41.25 40.05 2cr9 s ASN 114 CO 0.00 -0.07 1.08 0.00 -1.51 0.00 0.00 177.10 176.60 2cr9 s ALA 115 N -2.09 2.83 0.02 0.60 0.00 -1.26 -3.98 121.76 117.88 2cr9 s ALA 115 Ca 0.34 0.71 -0.27 0.00 0.00 0.00 0.00 51.96 52.73 2cr9 s ALA 115 Cb -0.08 -3.30 -0.16 0.00 0.00 0.00 0.00 23.12 19.58 2cr9 s ALA 115 CO 0.26 -0.49 1.21 2.35 0.00 0.00 0.00 175.76 179.09 2cr9 h TRP 116 N 1.52 -0.79 -0.57 0.00 2.91 -1.89 -3.23 115.95 113.90 2cr9 h TRP 116 Ca -0.50 -0.02 -0.72 0.00 1.13 0.00 0.00 58.89 58.79 2cr9 h TRP 116 Cb 1.24 0.26 -0.07 0.00 -0.51 0.00 0.00 29.16 30.08 2cr9 h TRP 116 CO 0.55 -0.45 2.91 1.58 -1.03 0.00 0.00 178.44 181.99 2cr9 n HIS 117 N -5.37 2.91 -4.88 2.65 -0.00 -1.26 -4.90 115.22 104.37 2cr9 n HIS 117 Ca -0.12 -2.93 -0.33 0.00 0.46 0.00 0.00 57.72 54.81 2cr9 n HIS 117 Cb 0.36 -2.25 -0.14 0.00 -0.12 0.00 0.00 29.99 27.84 2cr9 n HIS 117 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 2cr9 s SER 118 N 1.79 3.97 0.00 0.26 0.15 -1.22 -5.06 113.70 113.58 2cr9 s SER 118 Ca 0.52 -0.25 0.00 0.00 0.70 0.00 0.00 55.95 56.92 2cr9 s SER 118 Cb 0.15 -1.04 0.00 0.00 -1.71 0.00 0.00 66.02 63.42 2cr9 s SER 118 CO -0.06 0.29 0.49 0.29 1.20 0.00 0.00 173.24 175.46 2cr9 n LYS 119 N 2.66 0.00 -3.69 5.44 4.01 -1.26 -4.69 118.16 120.64 2cr9 n LYS 119 Ca -0.17 0.40 -0.20 0.00 -0.51 0.00 0.00 58.31 57.83 2cr9 n LYS 119 Cb 0.52 -0.99 -0.02 0.00 -0.51 0.00 0.00 35.03 34.03 2cr9 n LYS 119 CO 0.00 0.00 0.00 1.21 -1.11 0.00 0.00 177.40 177.50 2cr9 s ASN 120 N -2.81 5.68 -0.25 4.39 2.47 -1.26 -5.10 114.94 118.05 2cr9 s ASN 120 Ca 0.00 -0.31 0.02 0.00 0.42 0.00 0.00 52.86 52.99 2cr9 s ASN 120 Cb 0.00 -1.17 0.05 0.00 -1.45 0.00 0.00 41.25 38.68 2cr9 s ASN 120 CO 0.00 -0.35 -0.11 0.12 -3.72 0.00 0.00 177.10 173.04 2cr9 s PHE 121 N -2.22 3.15 -0.19 0.43 5.36 -1.26 -5.01 117.98 118.24 2cr9 s PHE 121 Ca 0.42 -2.07 -0.23 0.00 -0.96 0.00 0.00 56.93 54.09 2cr9 s PHE 121 Cb -0.08 -1.96 -0.02 0.00 -0.34 0.00 0.00 43.02 40.62 2cr9 s PHE 121 CO 0.29 -0.84 0.72 0.99 -1.46 0.00 0.00 175.22 174.92 2cr9 s THR 122 N 1.18 4.95 0.07 0.12 2.01 -1.26 -5.01 115.64 117.70 2cr9 s THR 122 Ca -0.05 1.39 -0.31 0.00 0.31 0.00 0.00 61.69 63.03 2cr9 s THR 122 Cb -0.18 -4.03 -0.08 0.00 0.01 0.00 0.00 72.50 68.22 2cr9 s THR 122 CO -0.06 0.06 1.51 -0.75 -0.69 0.00 0.00 174.62 174.69 2cr9 s LYS 123 N 2.09 4.25 0.44 4.92 2.20 -1.26 -4.97 119.74 127.41 2cr9 s LYS 123 Ca 0.33 2.17 0.07 0.00 -0.36 0.00 0.00 55.97 58.18 2cr9 s LYS 123 Cb -0.16 -3.47 -0.01 0.00 -1.51 0.00 0.00 37.83 32.68 2cr9 s LYS 123 CO 0.11 -0.61 0.38 0.71 -0.36 0.00 0.00 175.35 175.58 2cr9 s TYR 124 N 2.08 2.51 0.00 4.03 2.02 -1.26 -5.12 117.35 121.61 2cr9 s TYR 124 Ca 0.68 -0.55 0.00 0.00 -0.37 0.00 0.00 57.07 56.83 2cr9 s TYR 124 Cb -0.37 -2.13 0.00 0.00 -0.40 0.00 0.00 41.96 39.06 2cr9 s TYR 124 CO 0.30 -0.19 0.00 -0.35 -1.57 0.00 0.00 175.55 173.74 2cr9 n PRO 125 N -1.58 0.00 -1.04 -1.71 -0.04 -1.26 -4.33 135.00 125.04 2cr9 n PRO 125 Ca 0.03 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.25 2cr9 n PRO 125 Cb 0.62 -0.06 -0.08 0.00 -0.04 0.00 0.00 33.50 33.94 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 2.62 -4.39 0.54 5.02 -1.26 -4.81 118.16 115.88 2cr9 n LYS 126 Ca 0.00 -1.52 -0.20 0.00 -2.02 0.00 0.00 58.31 54.58 2cr9 n LYS 126 Cb 0.00 -2.37 -0.10 0.00 -0.02 0.00 0.00 35.03 32.53 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 1.95 1.45 -0.40 1.97 -0.14 -1.26 -5.04 119.74 118.27 2cr9 s LYS 127 Ca 0.61 -1.71 -0.13 0.00 -1.36 0.00 0.00 55.97 53.37 2cr9 s LYS 127 Cb 0.21 -1.07 0.02 0.00 -1.68 0.00 0.00 37.83 35.32 2cr9 s LYS 127 CO -0.03 0.06 0.26 -0.06 -0.76 0.00 0.00 175.35 174.83 2cr9 s PHE 128 N -3.06 3.24 0.35 3.18 0.08 -0.93 -4.69 117.98 116.16 2cr9 s PHE 128 Ca 0.27 -0.75 0.07 0.00 0.12 0.00 0.00 56.93 56.64 2cr9 s PHE 128 Cb 0.03 -2.54 -0.01 0.00 -0.57 0.00 0.00 43.02 39.93 2cr9 s PHE 128 CO 0.10 -0.62 0.47 1.52 -0.10 0.00 0.00 175.22 176.59 2cr9 s TYR 129 N 1.63 3.03 0.03 0.36 -0.85 -1.25 -3.11 117.35 117.20 2cr9 s TYR 129 Ca 0.04 -0.26 -0.30 0.00 -0.52 0.00 0.00 57.07 56.02 2cr9 s TYR 129 Cb -0.19 -2.04 -0.05 0.00 0.38 0.00 0.00 41.96 40.06 2cr9 s TYR 129 CO 0.09 -0.06 1.18 -1.25 -1.52 0.00 0.00 175.55 173.98 2cr9 s PRO 130 N -4.18 4.43 -0.12 -3.49 0.04 -1.26 -0.83 135.00 129.59 2cr9 s PRO 130 Ca 0.46 1.72 -0.22 0.00 0.04 0.00 0.00 61.00 63.00 2cr9 s PRO 130 Cb -0.09 -3.40 -0.19 0.00 0.04 0.00 0.00 34.50 30.86 2cr9 s PRO 130 CO 0.31 -0.28 0.63 -0.07 0.04 0.00 0.00 177.00 177.63 2cr9 h LEU 131 N 7.10 -0.02 -7.10 -3.56 3.38 -1.25 -3.45 115.31 110.41 2cr9 h LEU 131 Ca -0.40 -0.70 -0.41 0.00 0.09 0.00 0.00 57.88 56.46 2cr9 h LEU 131 Cb 1.20 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 41.56 2cr9 h LEU 131 CO 0.82 0.81 -0.73 -0.70 0.09 0.00 0.00 178.44 178.73 2cr9 s GLU 132 N -2.27 0.04 0.00 1.13 2.12 -1.26 -4.41 118.70 114.05 2cr9 s GLU 132 Ca -0.14 0.10 -0.03 0.00 0.36 0.00 0.00 54.97 55.26 2cr9 s GLU 132 Cb -0.02 -1.35 -0.02 0.00 0.26 0.00 0.00 34.13 33.01 2cr9 s GLU 132 CO 0.52 -0.56 0.98 0.82 -0.54 0.00 0.00 175.26 176.48 2cr9 h ILE 133 N 6.41 0.00 0.00 -3.70 1.08 -1.83 -3.42 117.51 116.06 2cr9 h ILE 133 Ca -0.14 -0.01 0.00 0.00 -0.39 0.00 0.00 64.86 64.32 2cr9 h ILE 133 Cb 1.14 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.89 2cr9 h ILE 133 CO 0.25 0.00 0.00 -1.54 -0.69 0.00 0.00 178.15 176.17 2cr9 n SER 134 N -2.34 0.00 -1.01 1.72 3.41 -1.25 -4.95 113.62 109.21 2cr9 n SER 134 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 2cr9 n SER 134 Cb 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.00 2cr9 n SER 134 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cr9 n GLY 135 N -0.02 -4.16 3.80 5.00 0.00 -1.26 -4.00 105.19 104.55 2cr9 n GLY 135 Ca 0.00 -0.76 -0.33 0.00 0.00 0.00 0.00 46.02 44.92 2cr9 n GLY 135 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cr9 s PRO 136 N -3.71 3.62 0.33 1.61 0.04 -1.26 -4.71 135.00 130.92 2cr9 s PRO 136 Ca 0.00 1.28 0.03 0.00 0.04 0.00 0.00 61.00 62.35 2cr9 s PRO 136 Cb 0.00 -2.07 -0.02 0.00 0.04 0.00 0.00 34.50 32.45 2cr9 s PRO 136 CO 0.00 -0.57 0.50 -1.12 0.04 0.00 0.00 177.00 175.85 2cr9 s SER 137 N -2.35 6.14 0.00 6.66 0.01 -1.26 -4.52 113.70 118.38 2cr9 s SER 137 Ca 0.65 0.16 0.00 0.00 1.31 0.00 0.00 55.95 58.07 2cr9 s SER 137 Cb -0.16 -1.70 0.00 0.00 0.21 0.00 0.00 66.02 64.38 2cr9 s SER 137 CO 0.27 -0.34 0.00 -0.24 0.41 0.00 0.00 173.24 173.34 2cr9 n SER 138 N -1.70 0.00 0.00 2.44 2.88 -1.26 -5.14 113.62 110.84 2cr9 n SER 138 Ca -0.04 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.50 2cr9 n SER 138 Cb 0.57 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.03 2cr9 n SER 138 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42