#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cr9 n SER 2 N 0.00 0.00 -3.62 1.61 7.64 -1.26 -5.19 113.62 112.80 2cr9 n SER 2 Ca 0.00 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 59.85 2cr9 n SER 2 Cb 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.18 2cr9 n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2cr9 s SER 3 N 0.00 -0.08 0.21 6.43 0.15 -1.26 -5.19 113.70 113.96 2cr9 s SER 3 Ca 0.00 0.02 -0.22 0.00 0.70 0.00 0.00 55.95 56.44 2cr9 s SER 3 Cb 0.00 0.08 0.06 0.00 -1.71 0.00 0.00 66.02 64.45 2cr9 s SER 3 CO 0.00 -0.13 0.94 -0.83 1.20 0.00 0.00 173.24 174.43 2cr9 s GLY 4 N -1.94 -0.01 -0.30 9.45 0.00 -1.26 -5.16 107.32 108.10 2cr9 s GLY 4 Ca 0.10 -0.20 -0.09 0.00 0.00 0.00 0.00 44.72 44.52 2cr9 s GLY 4 CO -0.04 0.77 0.66 -0.56 0.00 0.00 0.00 173.10 173.93 2cr9 s SER 5 N -3.12 -1.14 0.47 1.64 0.01 -1.26 -5.17 113.70 105.13 2cr9 s SER 5 Ca 0.16 1.48 0.06 0.00 1.31 0.00 0.00 55.95 58.97 2cr9 s SER 5 Cb -0.03 2.27 -0.01 0.00 0.21 0.00 0.00 66.02 68.46 2cr9 s SER 5 CO 0.05 -0.22 0.30 -0.94 0.41 0.00 0.00 173.24 172.84 2cr9 s SER 6 N 2.88 4.62 0.62 2.44 1.04 -1.26 -5.05 113.70 118.99 2cr9 s SER 6 Ca -0.04 -1.11 0.00 0.00 0.48 0.00 0.00 55.95 55.29 2cr9 s SER 6 Cb -0.12 -0.10 0.00 0.00 0.10 0.00 0.00 66.02 65.90 2cr9 s SER 6 CO -0.19 -0.80 0.00 0.61 0.98 0.00 0.00 173.24 173.84 2cr9 n GLY 7 N -1.50 -3.39 1.65 7.32 0.00 -1.26 -5.02 105.19 102.98 2cr9 n GLY 7 Ca -0.01 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 44.96 2cr9 n GLY 7 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2cr9 n LYS 8 N -4.31 0.00 0.00 1.61 3.00 -1.26 -5.09 118.16 112.11 2cr9 n LYS 8 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.22 2cr9 n LYS 8 Cb 0.68 -0.01 0.00 0.00 0.00 0.00 0.00 35.03 35.70 2cr9 n LYS 8 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2cr9 n SER 9 N -2.56 0.00 -4.56 3.14 2.88 -1.26 -5.13 113.62 106.14 2cr9 n SER 9 Ca 0.00 0.00 -0.54 0.00 -1.33 0.00 0.00 58.87 57.00 2cr9 n SER 9 Cb 0.00 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.40 2cr9 n SER 9 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2cr9 n GLU 10 N 0.00 0.76 0.00 -1.46 4.71 -1.26 -4.93 120.64 118.47 2cr9 n GLU 10 Ca 0.00 0.27 0.00 0.00 -0.01 0.00 0.00 57.16 57.42 2cr9 n GLU 10 Cb 0.00 -1.84 0.00 0.00 -1.01 0.00 0.00 31.44 28.59 2cr9 n GLU 10 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 2cr9 n LYS 11 N 2.08 0.00 -3.40 3.49 3.00 -1.26 -5.14 118.16 116.92 2cr9 n LYS 11 Ca 0.18 0.00 -0.14 0.00 -0.00 0.00 0.00 58.31 58.35 2cr9 n LYS 11 Cb 0.16 0.00 -0.10 0.00 0.00 0.00 0.00 35.03 35.10 2cr9 n LYS 11 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 2cr9 s ARG 12 N 0.00 0.30 -0.29 1.64 3.00 -1.26 -5.11 118.95 117.24 2cr9 s ARG 12 Ca 0.00 0.15 0.02 0.00 -1.00 0.00 0.00 55.73 54.91 2cr9 s ARG 12 Cb 0.00 -0.72 0.08 0.00 0.00 0.00 0.00 34.95 34.31 2cr9 s ARG 12 CO 0.00 -0.83 -0.01 -1.64 0.00 0.00 0.00 175.30 172.81 2cr9 s MET 13 N 2.42 1.62 0.33 5.12 -1.94 -1.26 -5.11 119.30 120.48 2cr9 s MET 13 Ca 0.10 -1.40 0.04 0.00 -1.71 0.00 0.00 55.69 52.72 2cr9 s MET 13 Cb -0.15 -2.81 -0.02 0.00 2.01 0.00 0.00 34.83 33.87 2cr9 s MET 13 CO -0.23 -0.75 0.49 0.21 -0.01 0.00 0.00 175.02 174.73 2cr9 s LYS 14 N 1.18 3.25 0.00 2.03 2.20 -1.26 -5.09 119.74 122.05 2cr9 s LYS 14 Ca 0.01 -0.75 0.00 0.00 -0.36 0.00 0.00 55.97 54.86 2cr9 s LYS 14 Cb -0.19 -2.77 0.00 0.00 -1.51 0.00 0.00 37.83 33.36 2cr9 s LYS 14 CO -0.09 0.12 0.00 1.28 -0.36 0.00 0.00 175.35 176.30 2cr9 n LEU 15 N -1.67 0.00 -4.77 5.43 4.77 -1.26 -5.15 117.00 114.34 2cr9 n LEU 15 Ca -0.03 0.00 -0.38 0.00 -0.03 0.00 0.00 56.01 55.57 2cr9 n LEU 15 Cb 0.57 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.61 2cr9 n LEU 15 CO 0.45 0.00 0.67 0.28 -1.33 0.00 0.00 177.39 177.46 2cr9 s THR 16 N 0.00 4.04 0.23 -5.08 -1.32 -1.26 -5.06 115.64 107.19 2cr9 s THR 16 Ca 0.00 1.84 0.01 0.00 -1.21 0.00 0.00 61.69 62.33 2cr9 s THR 16 Cb 0.00 -4.09 -0.00 0.00 -1.51 0.00 0.00 72.50 66.90 2cr9 s THR 16 CO 0.00 0.28 0.02 0.18 -2.21 0.00 0.00 174.62 172.89 2cr9 n LEU 17 N 0.91 0.00 0.07 9.08 4.77 -1.26 -5.10 117.00 125.47 2cr9 n LEU 17 Ca 0.00 -1.51 0.00 0.00 -0.03 0.00 0.00 56.01 54.47 2cr9 n LEU 17 Cb 0.48 0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.84 2cr9 n LEU 17 CO 0.47 -0.22 0.00 1.17 -1.33 0.00 0.00 177.39 177.48 2cr9 n LYS 18 N -0.55 0.00 0.00 3.23 4.81 -1.26 -5.17 118.16 119.22 2cr9 n LYS 18 Ca -0.08 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.36 2cr9 n LYS 18 Cb 0.30 -0.03 0.00 0.00 0.02 0.00 0.00 35.03 35.32 2cr9 n LYS 18 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2cr9 n GLY 19 N 1.74 -1.46 0.00 3.14 0.00 -1.26 -5.05 105.19 102.30 2cr9 n GLY 19 Ca 0.00 -2.03 0.00 0.00 0.00 0.00 0.00 46.02 43.99 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 -1.55 3.96 -0.02 0.00 -1.26 -5.07 105.19 101.25 2cr9 n GLY 20 Ca 0.00 0.56 -0.20 0.00 0.00 0.00 0.00 46.02 46.38 2cr9 n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cr9 s ALA 21 N 0.00 4.09 -0.15 4.61 0.00 -1.26 -5.11 121.76 123.94 2cr9 s ALA 21 Ca 0.00 -1.45 -0.04 0.00 0.00 0.00 0.00 51.96 50.47 2cr9 s ALA 21 Cb 0.00 -1.59 -0.03 0.00 0.00 0.00 0.00 23.12 21.50 2cr9 s ALA 21 CO 0.00 0.04 -0.02 0.00 0.00 0.00 0.00 175.76 175.78 2cr9 s ALA 22 N -2.16 3.08 0.84 0.00 0.00 -1.26 -4.22 121.76 118.05 2cr9 s ALA 22 Ca 0.42 -0.81 -0.12 0.00 0.00 0.00 0.00 51.96 51.45 2cr9 s ALA 22 Cb -0.09 -1.60 0.10 0.00 0.00 0.00 0.00 23.12 21.54 2cr9 s ALA 22 CO 0.30 0.24 1.17 0.08 0.00 0.00 0.00 175.76 177.55 2cr9 s VAL 23 N 0.26 2.19 0.38 0.00 1.01 -1.26 -4.89 120.40 118.09 2cr9 s VAL 23 Ca -0.02 0.07 -0.24 0.00 0.00 0.00 0.00 61.98 61.79 2cr9 s VAL 23 Cb -0.14 -2.32 -0.10 0.00 0.00 0.00 0.00 36.38 33.82 2cr9 s VAL 23 CO 0.02 -0.07 0.99 -0.62 0.00 0.00 0.00 175.10 175.42 2cr9 s ASP 24 N -2.48 7.01 0.42 3.32 2.15 -1.26 -4.73 116.67 121.10 2cr9 s ASP 24 Ca 0.69 1.89 0.23 0.00 0.43 0.00 0.00 52.55 55.80 2cr9 s ASP 24 Cb -0.25 -2.57 0.67 0.00 -0.30 0.00 0.00 42.92 40.47 2cr9 s ASP 24 CO 0.54 -0.31 1.72 1.55 -0.17 0.00 0.00 175.17 178.50 2cr9 h PRO 25 N 2.64 0.00 0.00 4.34 0.13 -1.99 -2.88 132.00 134.24 2cr9 h PRO 25 Ca -0.48 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.58 2cr9 h PRO 25 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 2cr9 h PRO 25 CO 0.63 0.21 -0.36 -0.44 -0.23 0.00 0.00 178.00 177.80 2cr9 h ASP 26 N 0.00 0.00 1.25 1.44 3.32 -2.03 -1.97 116.42 118.42 2cr9 h ASP 26 Ca -0.00 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.99 2cr9 h ASP 26 Cb 0.91 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.45 2cr9 h ASP 26 CO 0.03 0.36 -0.30 0.77 -1.72 0.00 0.00 179.24 178.38 2cr9 h SER 27 N 0.00 0.00 0.00 6.45 4.64 -1.91 -3.47 113.55 119.27 2cr9 h SER 27 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2cr9 h SER 27 Cb 0.71 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 2cr9 h SER 27 CO 0.05 0.30 0.00 0.61 -0.87 0.00 0.00 176.83 176.91 2cr9 n GLY 28 N 0.64 0.24 0.53 -0.77 0.00 -0.74 -4.79 105.19 100.30 2cr9 n GLY 28 Ca 0.01 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.15 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 2.03 0.24 0.99 4.77 -1.26 -4.18 117.00 119.59 2cr9 n LEU 29 Ca 0.00 -0.72 0.14 0.00 -0.03 0.00 0.00 56.01 55.40 2cr9 n LEU 29 Cb 0.25 -0.02 0.76 0.00 -2.33 0.00 0.00 43.42 42.09 2cr9 n LEU 29 CO 0.00 0.37 0.98 1.05 -1.33 0.00 0.00 177.39 178.46 2cr9 h GLU 30 N 2.61 0.00 -0.03 3.23 4.11 -1.71 1.31 114.58 124.11 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 0.75 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.00 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 -2.56 0.05 0.05 2.06 1.44 -1.26 -4.81 115.22 110.20 2cr9 n HIS 31 Ca -0.02 -0.61 0.00 0.00 -2.01 0.00 0.00 57.72 55.08 2cr9 n HIS 31 Cb 0.16 -0.07 0.00 0.00 0.12 0.00 0.00 29.99 30.19 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 -0.63 0.17 -4.91 4.39 7.64 0.21 -5.12 113.62 115.37 2cr9 n SER 32 Ca 0.04 0.18 -0.20 0.00 1.01 0.00 0.00 58.87 59.90 2cr9 n SER 32 Cb 0.36 0.06 -0.02 0.00 -1.01 0.00 0.00 64.21 63.59 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 4.08 0.17 -0.43 0.00 0.39 -3.59 121.76 120.38 2cr9 s ALA 33 Ca 0.00 -1.66 0.06 0.00 0.00 0.00 0.00 51.96 50.36 2cr9 s ALA 33 Cb 0.00 -1.32 -0.04 0.00 0.00 0.00 0.00 23.12 21.75 2cr9 s ALA 33 CO 0.00 -0.09 -0.12 -3.38 0.00 0.00 0.00 175.76 172.17 2cr9 s HIS 34 N -2.32 1.44 -0.02 0.00 -3.43 -0.44 -4.07 115.29 106.46 2cr9 s HIS 34 Ca 0.45 -0.68 -0.37 0.00 -0.80 0.00 0.00 55.06 53.67 2cr9 s HIS 34 Cb -0.07 -0.70 -0.16 0.00 -1.43 0.00 0.00 32.58 30.22 2cr9 s HIS 34 CO 0.29 0.19 1.53 0.28 -2.00 0.00 0.00 174.74 175.03 2cr9 n VAL 35 N -0.22 0.13 -2.25 -5.38 0.31 -1.25 -0.15 118.33 109.52 2cr9 n VAL 35 Ca -0.10 -0.02 -0.42 0.00 -0.01 0.00 0.00 64.34 63.79 2cr9 n VAL 35 Cb 0.60 -1.11 -0.03 0.00 -0.91 0.00 0.00 33.84 32.39 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 1.70 4.30 -0.10 7.52 1.98 0.52 -4.76 118.68 129.83 2cr9 s LEU 36 Ca 0.88 2.06 0.00 0.00 -2.89 0.00 0.00 54.13 54.19 2cr9 s LEU 36 Cb -0.93 -3.56 -0.02 0.00 0.66 0.00 0.00 46.19 42.34 2cr9 s LEU 36 CO 0.51 -0.72 -0.10 -1.61 -1.89 0.00 0.00 176.35 172.55 2cr9 s GLU 37 N 2.52 3.12 0.03 1.98 2.02 -1.26 -1.61 118.70 125.50 2cr9 s GLU 37 Ca 0.63 -0.61 -0.07 0.00 0.02 0.00 0.00 54.97 54.94 2cr9 s GLU 37 Cb -0.30 -2.64 -0.00 0.00 0.10 0.00 0.00 34.13 31.29 2cr9 s GLU 37 CO 0.25 0.42 0.13 0.21 0.02 0.00 0.00 175.26 176.29 2cr9 s LYS 38 N -0.16 0.57 -1.12 1.61 2.20 -0.70 -4.91 119.74 117.23 2cr9 s LYS 38 Ca 0.01 -0.61 -0.26 0.00 -0.36 0.00 0.00 55.97 54.75 2cr9 s LYS 38 Cb -0.13 0.23 0.04 0.00 -1.51 0.00 0.00 37.83 36.45 2cr9 s LYS 38 CO 0.03 -0.14 0.49 0.41 -0.36 0.00 0.00 175.35 175.77 2cr9 n GLY 39 N 1.00 -0.61 4.32 5.54 0.00 -1.26 0.18 105.19 114.36 2cr9 n GLY 39 Ca -0.20 0.27 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 2cr9 n GLY 39 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cr9 n GLY 40 N -2.05 -0.43 3.33 -0.02 0.00 -1.26 -4.90 105.19 99.86 2cr9 n GLY 40 Ca -0.13 0.10 -0.17 0.00 0.00 0.00 0.00 46.02 45.82 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 -7.02 1.46 -0.04 1.61 -0.14 0.48 -5.16 119.74 110.93 2cr9 s LYS 41 Ca 0.77 -1.80 0.05 0.00 -1.36 0.00 0.00 55.97 53.64 2cr9 s LYS 41 Cb -0.44 -0.27 -0.01 0.00 -1.68 0.00 0.00 37.83 35.43 2cr9 s LYS 41 CO 0.95 -0.32 -0.19 0.08 -0.76 0.00 0.00 175.35 175.11 2cr9 s VAL 42 N -3.70 1.58 -0.87 3.17 1.01 -1.26 -1.73 120.40 118.60 2cr9 s VAL 42 Ca 0.37 -0.82 -0.06 0.00 0.00 0.00 0.00 61.98 61.47 2cr9 s VAL 42 Cb 0.07 -1.34 -0.00 0.00 0.00 0.00 0.00 36.38 35.11 2cr9 s VAL 42 CO 0.14 0.45 2.82 0.49 0.00 0.00 0.00 175.10 179.00 2cr9 n PHE 43 N 2.91 1.80 -3.71 5.22 3.01 -0.63 -4.76 117.46 121.30 2cr9 n PHE 43 Ca -0.17 -2.36 -0.30 0.00 1.01 0.00 0.00 57.45 55.64 2cr9 n PHE 43 Cb 0.53 -1.76 -0.15 0.00 -0.01 0.00 0.00 39.48 38.10 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 0.94 3.91 0.10 4.37 0.15 -1.26 -2.27 113.70 119.64 2cr9 s SER 44 Ca 0.60 -1.82 0.10 0.00 0.70 0.00 0.00 55.95 55.54 2cr9 s SER 44 Cb 0.27 -0.86 -0.04 0.00 -1.71 0.00 0.00 66.02 63.69 2cr9 s SER 44 CO -0.11 -0.39 -0.25 0.00 1.20 0.00 0.00 173.24 173.68 2cr9 s ALA 45 N 1.40 2.39 -0.35 5.45 0.00 -0.76 -5.04 121.76 124.85 2cr9 s ALA 45 Ca 0.11 -1.39 0.01 0.00 0.00 0.00 0.00 51.96 50.69 2cr9 s ALA 45 Cb -0.19 -0.45 0.11 0.00 0.00 0.00 0.00 23.12 22.59 2cr9 s ALA 45 CO -0.20 0.55 0.11 0.99 0.00 0.00 0.00 175.76 177.20 2cr9 s THR 46 N -1.00 1.48 0.55 0.00 2.01 -1.26 -1.98 115.64 115.44 2cr9 s THR 46 Ca 0.14 -1.96 -0.06 0.00 0.31 0.00 0.00 61.69 60.12 2cr9 s THR 46 Cb -0.10 -2.09 -0.01 0.00 0.01 0.00 0.00 72.50 70.31 2cr9 s THR 46 CO 0.05 -0.69 0.87 -0.76 -0.69 0.00 0.00 174.62 173.40 2cr9 s LEU 47 N 1.12 3.38 -0.24 4.42 1.43 0.13 -0.08 118.68 128.83 2cr9 s LEU 47 Ca 0.12 0.84 -0.08 0.00 -1.03 0.00 0.00 54.13 53.97 2cr9 s LEU 47 Cb -0.19 -3.73 0.11 0.00 0.03 0.00 0.00 46.19 42.41 2cr9 s LEU 47 CO -0.15 -0.87 0.52 -0.83 0.23 0.00 0.00 176.35 175.24 2cr9 s GLY 48 N -4.22 -0.53 -0.02 -3.19 0.00 0.63 -2.52 107.32 97.46 2cr9 s GLY 48 Ca 0.52 1.84 0.06 0.00 0.00 0.00 0.00 44.72 47.14 2cr9 s GLY 48 CO 0.46 2.71 -0.21 -2.27 0.00 0.00 0.00 173.10 173.79 2cr9 s LEU 49 N 2.73 2.02 -0.09 0.66 1.98 0.64 -3.94 118.68 122.69 2cr9 s LEU 49 Ca -0.03 -0.39 -0.07 0.00 -2.89 0.00 0.00 54.13 50.75 2cr9 s LEU 49 Cb -0.12 -1.09 0.03 0.00 0.66 0.00 0.00 46.19 45.67 2cr9 s LEU 49 CO -0.16 0.24 0.23 0.54 -1.89 0.00 0.00 176.35 175.32 2cr9 s VAL 50 N -0.38 -0.01 0.06 1.68 0.11 -1.26 0.27 120.40 120.86 2cr9 s VAL 50 Ca 0.05 0.04 -0.12 0.00 -2.93 0.00 0.00 61.98 59.01 2cr9 s VAL 50 Cb -0.09 -0.34 -0.06 0.00 -1.53 0.00 0.00 36.38 34.36 2cr9 s VAL 50 CO 0.00 0.01 0.42 -1.81 -3.33 0.00 0.00 175.10 170.40 2cr9 s ASP 51 N 0.40 6.73 -0.16 3.54 1.01 0.52 -4.96 116.67 123.74 2cr9 s ASP 51 Ca -0.02 0.89 0.04 0.00 0.71 0.00 0.00 52.55 54.17 2cr9 s ASP 51 Cb -0.04 -2.22 -0.23 0.00 1.01 0.00 0.00 42.92 41.45 2cr9 s ASP 51 CO -0.02 0.22 0.19 0.00 0.21 0.00 0.00 175.17 175.78 2cr9 n ILE 52 N 1.25 1.60 -0.04 0.77 3.06 -1.26 -2.84 119.36 121.91 2cr9 n ILE 52 Ca -0.10 -0.69 -0.09 0.00 -2.50 0.00 0.00 62.75 59.37 2cr9 n ILE 52 Cb 0.52 -1.30 -0.08 0.00 0.54 0.00 0.00 39.64 39.32 2cr9 n ILE 52 CO 0.00 0.00 0.00 -0.37 -2.50 0.00 0.00 176.55 173.68 2cr9 h VAL 53 N 0.03 0.99 0.00 9.51 -1.51 -1.96 -3.24 116.25 120.07 2cr9 h VAL 53 Ca -0.47 -1.63 0.00 0.00 -1.23 0.00 0.00 66.70 63.37 2cr9 h VAL 53 Cb 2.03 1.83 0.00 0.00 -2.13 0.00 0.00 31.29 33.02 2cr9 h VAL 53 CO 0.02 0.32 0.00 0.11 -1.23 0.00 0.00 177.57 176.79 2cr9 h LYS 54 N -0.97 0.00 -3.87 5.19 1.79 -1.99 -3.45 116.57 113.27 2cr9 h LYS 54 Ca -0.00 0.00 -0.39 0.00 -2.18 0.00 0.00 60.65 58.08 2cr9 h LYS 54 Cb 0.56 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.22 2cr9 h LYS 54 CO 0.01 0.00 -0.54 0.41 -1.08 0.00 0.00 179.45 178.25 2cr9 n GLY 55 N -0.25 -0.51 3.40 3.86 0.00 -1.14 -4.97 105.19 105.58 2cr9 n GLY 55 Ca 0.01 0.06 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 2cr9 n GLY 55 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2cr9 s THR 56 N -3.04 2.89 0.05 2.61 -4.23 -1.13 -4.93 115.64 107.86 2cr9 s THR 56 Ca 0.15 -0.76 0.02 0.00 -1.18 0.00 0.00 61.69 59.92 2cr9 s THR 56 Cb -0.07 -2.15 -0.04 0.00 1.34 0.00 0.00 72.50 71.58 2cr9 s THR 56 CO 0.18 0.56 0.08 0.20 -0.54 0.00 0.00 174.62 175.11 2cr9 s ASN 57 N -0.24 5.59 0.06 3.99 -0.87 -1.26 0.20 114.94 122.41 2cr9 s ASN 57 Ca 0.01 0.05 -0.10 0.00 -1.57 0.00 0.00 52.86 51.24 2cr9 s ASN 57 Cb -0.13 -1.54 0.00 0.00 -0.02 0.00 0.00 41.25 39.56 2cr9 s ASN 57 CO 0.03 0.20 0.21 -0.44 -2.57 0.00 0.00 177.10 174.53 2cr9 s SER 58 N -2.19 0.04 -0.18 -1.22 0.01 0.75 -3.26 113.70 107.64 2cr9 s SER 58 Ca 0.28 -0.44 -0.07 0.00 1.31 0.00 0.00 55.95 57.02 2cr9 s SER 58 Cb -0.12 0.32 0.08 0.00 0.21 0.00 0.00 66.02 66.51 2cr9 s SER 58 CO 0.20 -0.63 0.40 -0.72 0.41 0.00 0.00 173.24 172.89 2cr9 s TYR 59 N -3.06 -0.72 -0.18 2.43 -0.85 -0.71 -0.26 117.35 114.01 2cr9 s TYR 59 Ca -0.01 1.41 -0.03 0.00 -0.52 0.00 0.00 57.07 57.92 2cr9 s TYR 59 Cb 0.01 0.26 -0.02 0.00 0.38 0.00 0.00 41.96 42.59 2cr9 s TYR 59 CO -0.07 -0.44 -0.05 -0.47 -1.52 0.00 0.00 175.55 173.01 2cr9 s TYR 60 N 2.37 2.97 -0.01 -3.49 6.14 -1.05 -2.77 117.35 121.51 2cr9 s TYR 60 Ca -0.03 -0.61 0.02 0.00 0.64 0.00 0.00 57.07 57.10 2cr9 s TYR 60 Cb -0.11 -2.02 -0.03 0.00 0.42 0.00 0.00 41.96 40.22 2cr9 s TYR 60 CO -0.12 -0.29 -0.04 0.15 0.64 0.00 0.00 175.55 175.89 2cr9 s LYS 61 N 0.88 2.67 -0.04 4.97 -0.14 -0.54 -0.70 119.74 126.85 2cr9 s LYS 61 Ca -0.01 -0.65 0.01 0.00 -1.36 0.00 0.00 55.97 53.96 2cr9 s LYS 61 Cb -0.15 -2.58 0.02 0.00 -1.68 0.00 0.00 37.83 33.45 2cr9 s LYS 61 CO 0.01 0.62 -0.03 -1.17 -0.76 0.00 0.00 175.35 174.02 2cr9 s LEU 62 N -1.37 1.26 -0.19 3.17 2.96 -0.84 -1.10 118.68 122.56 2cr9 s LEU 62 Ca 0.17 -0.10 -0.09 0.00 -0.22 0.00 0.00 54.13 53.89 2cr9 s LEU 62 Cb -0.11 -0.38 0.07 0.00 0.50 0.00 0.00 46.19 46.27 2cr9 s LEU 62 CO 0.07 -0.07 0.44 -1.10 -1.32 0.00 0.00 176.35 174.38 2cr9 s GLN 63 N 0.98 0.40 -0.20 1.98 -0.21 -1.12 -1.84 119.66 119.65 2cr9 s GLN 63 Ca -0.10 0.92 -0.09 0.00 0.02 0.00 0.00 55.36 56.11 2cr9 s GLN 63 Cb -0.14 0.12 -0.05 0.00 1.00 0.00 0.00 33.01 33.95 2cr9 s GLN 63 CO -0.01 -0.19 0.11 -1.17 -2.12 0.00 0.00 175.29 171.92 2cr9 s LEU 64 N 1.84 4.10 -0.06 2.90 0.20 -0.96 -2.44 118.68 124.26 2cr9 s LEU 64 Ca -0.07 0.18 0.04 0.00 0.69 0.00 0.00 54.13 54.97 2cr9 s LEU 64 Cb -0.09 -2.06 -0.02 0.00 -0.43 0.00 0.00 46.19 43.59 2cr9 s LEU 64 CO -0.14 0.17 -0.18 -0.76 -0.29 0.00 0.00 176.35 175.16 2cr9 s LEU 65 N 0.41 2.50 0.24 -0.68 2.01 -1.16 0.19 118.68 122.20 2cr9 s LEU 65 Ca 0.07 -0.31 0.11 0.00 0.01 0.00 0.00 54.13 54.01 2cr9 s LEU 65 Cb -0.12 -1.49 -0.05 0.00 0.01 0.00 0.00 46.19 44.54 2cr9 s LEU 65 CO -0.01 0.30 -0.21 -1.83 1.01 0.00 0.00 176.35 175.61 2cr9 s GLU 66 N -0.48 1.57 0.31 1.70 -1.05 0.78 -0.05 118.70 121.48 2cr9 s GLU 66 Ca 0.06 -1.64 -0.30 0.00 -0.15 0.00 0.00 54.97 52.94 2cr9 s GLU 66 Cb -0.12 -1.73 -0.12 0.00 -0.44 0.00 0.00 34.13 31.73 2cr9 s GLU 66 CO 0.01 0.34 1.55 -3.47 0.95 0.00 0.00 175.26 174.65 2cr9 n ASP 67 N -0.21 3.74 -0.68 0.83 2.03 0.55 -1.32 116.55 121.49 2cr9 n ASP 67 Ca -0.09 1.17 0.51 0.00 0.52 0.00 0.00 54.79 56.91 2cr9 n ASP 67 Cb 0.58 -1.59 0.79 0.00 -0.72 0.00 0.00 41.12 40.18 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 1.70 0.00 0.00 1.67 8.00 -1.24 -2.97 116.55 123.71 2cr9 n ASP 68 Ca 0.07 0.96 0.00 0.00 0.71 0.00 0.00 54.79 56.52 2cr9 n ASP 68 Cb 0.37 -0.47 0.00 0.00 -0.02 0.00 0.00 41.12 40.99 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 -3.84 0.00 0.00 -1.24 5.02 -1.26 -5.05 118.16 111.79 2cr9 n LYS 69 Ca 0.43 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.72 2cr9 n LYS 69 Cb 1.95 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 36.96 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 0.00 0.00 0.00 1.97 0.28 -1.16 -5.04 120.64 116.69 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 0.09 -0.16 0.00 0.00 177.13 177.06 2cr9 n ASN 71 N 0.00 0.00 -4.84 -1.84 4.13 -1.26 -5.01 115.26 106.43 2cr9 n ASN 71 Ca 0.00 0.00 -0.37 0.00 1.68 0.00 0.00 54.58 55.89 2cr9 n ASN 71 Cb 0.00 0.00 -0.07 0.00 -1.54 0.00 0.00 39.78 38.17 2cr9 n ASN 71 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 2cr9 s ARG 72 N 0.00 3.52 0.08 3.52 0.52 -1.26 -4.44 118.95 120.89 2cr9 s ARG 72 Ca 0.00 -0.17 -0.07 0.00 -0.52 0.00 0.00 55.73 54.97 2cr9 s ARG 72 Cb 0.00 -3.19 -0.01 0.00 0.52 0.00 0.00 34.95 32.27 2cr9 s ARG 72 CO 0.00 0.70 0.15 0.71 0.02 0.00 0.00 175.30 176.88 2cr9 s TYR 73 N -0.80 0.21 0.20 -0.53 1.51 -1.24 0.21 117.35 116.90 2cr9 s TYR 73 Ca 0.14 -0.64 0.03 0.00 -1.01 0.00 0.00 57.07 55.58 2cr9 s TYR 73 Cb -0.12 -0.12 -0.05 0.00 -0.11 0.00 0.00 41.96 41.56 2cr9 s TYR 73 CO 0.03 -0.50 -0.01 -1.58 -1.11 0.00 0.00 175.55 172.38 2cr9 s TRP 74 N -3.73 1.43 -0.31 2.71 0.51 0.92 0.12 118.94 120.58 2cr9 s TRP 74 Ca 0.04 -0.93 -0.00 0.00 -2.12 0.00 0.00 56.10 53.09 2cr9 s TRP 74 Cb 0.05 -0.81 0.10 0.00 -0.81 0.00 0.00 33.47 32.00 2cr9 s TRP 74 CO -0.10 -0.08 0.10 0.42 -0.51 0.00 0.00 176.95 176.78 2cr9 s ILE 75 N -3.48 0.98 -0.04 2.03 -1.09 -0.22 -2.97 121.20 116.41 2cr9 s ILE 75 Ca 0.26 -1.49 -0.17 0.00 -2.23 0.00 0.00 60.65 57.03 2cr9 s ILE 75 Cb 0.05 -1.74 -0.05 0.00 -1.58 0.00 0.00 42.46 39.14 2cr9 s ILE 75 CO 0.06 -0.68 0.45 0.12 -1.23 0.00 0.00 174.94 173.67 2cr9 s PHE 76 N 1.54 3.64 -0.13 3.97 5.36 -1.02 -2.99 117.98 128.35 2cr9 s PHE 76 Ca 0.10 0.97 -0.04 0.00 -0.96 0.00 0.00 56.93 57.01 2cr9 s PHE 76 Cb -0.17 -2.42 0.06 0.00 -0.34 0.00 0.00 43.02 40.14 2cr9 s PHE 76 CO -0.24 0.43 0.15 1.03 -1.46 0.00 0.00 175.22 175.14 2cr9 s ARG 77 N -0.35 0.07 0.16 10.12 0.52 -0.54 -2.80 118.95 126.13 2cr9 s ARG 77 Ca 0.25 0.29 0.05 0.00 -0.52 0.00 0.00 55.73 55.80 2cr9 s ARG 77 Cb -0.16 -0.92 -0.04 0.00 0.52 0.00 0.00 34.95 34.35 2cr9 s ARG 77 CO 0.12 -0.49 0.15 -1.54 0.02 0.00 0.00 175.30 173.57 2cr9 s SER 78 N 2.25 5.62 -0.29 0.23 1.04 -0.26 -0.87 113.70 121.42 2cr9 s SER 78 Ca 0.04 -0.09 -0.16 0.00 0.48 0.00 0.00 55.95 56.22 2cr9 s SER 78 Cb -0.14 -1.50 0.15 0.00 0.10 0.00 0.00 66.02 64.64 2cr9 s SER 78 CO -0.08 0.07 0.98 -1.66 0.98 0.00 0.00 173.24 173.53 2cr9 s TRP 79 N -1.75 -0.61 0.01 5.02 -2.14 0.61 -1.46 118.94 118.62 2cr9 s TRP 79 Ca 0.31 1.15 -0.29 0.00 2.66 0.00 0.00 56.10 59.93 2cr9 s TRP 79 Cb -0.10 0.37 0.11 0.00 -3.10 0.00 0.00 33.47 30.74 2cr9 s TRP 79 CO 0.24 -0.30 1.16 0.20 -2.66 0.00 0.00 176.95 175.59 2cr9 s GLY 80 N 1.81 -0.35 0.68 3.67 0.00 -1.12 -2.20 107.32 109.81 2cr9 s GLY 80 Ca -0.06 0.67 -0.14 0.00 0.00 0.00 0.00 44.72 45.19 2cr9 s GLY 80 CO -0.16 0.15 1.10 0.50 0.00 0.00 0.00 173.10 174.69 2cr9 s ARG 81 N -2.71 2.73 0.44 2.90 0.52 -1.26 -1.74 118.95 119.84 2cr9 s ARG 81 Ca 0.12 1.29 -0.12 0.00 -0.52 0.00 0.00 55.73 56.51 2cr9 s ARG 81 Cb 0.02 -1.95 -0.07 0.00 0.52 0.00 0.00 34.95 33.48 2cr9 s ARG 81 CO -0.03 -1.29 0.83 0.08 0.02 0.00 0.00 175.30 174.91 2cr9 s VAL 82 N -2.52 4.73 -1.36 3.52 1.01 -1.20 -4.13 120.40 120.45 2cr9 s VAL 82 Ca 0.65 0.74 -0.05 0.00 0.00 0.00 0.00 61.98 63.32 2cr9 s VAL 82 Cb -0.19 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.45 2cr9 s VAL 82 CO 0.45 -0.59 0.48 0.61 0.00 0.00 0.00 175.10 176.05 2cr9 n GLY 83 N -1.45 -0.36 3.52 4.51 0.00 -1.26 -4.93 105.19 105.22 2cr9 n GLY 83 Ca 0.03 0.20 -0.12 0.00 0.00 0.00 0.00 46.02 46.14 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 -3.87 0.00 -0.11 2.61 -4.23 -1.26 -5.05 115.64 103.73 2cr9 s THR 84 Ca 0.09 -1.53 0.21 0.00 -1.18 0.00 0.00 61.69 59.28 2cr9 s THR 84 Cb -0.04 -2.43 -0.23 0.00 1.34 0.00 0.00 72.50 71.14 2cr9 s THR 84 CO 0.89 0.00 0.60 1.33 -0.54 0.00 0.00 174.62 176.90 2cr9 n VAL 85 N -0.45 0.42 -1.74 2.29 0.24 -1.26 -4.91 118.33 112.93 2cr9 n VAL 85 Ca -0.01 -0.57 -0.42 0.00 -2.04 0.00 0.00 64.34 61.30 2cr9 n VAL 85 Cb 0.62 -0.21 -0.03 0.00 -1.47 0.00 0.00 33.84 32.76 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 -3.31 2.81 -0.23 1.34 1.01 -1.26 -4.96 121.20 116.60 2cr9 s ILE 86 Ca -0.06 0.13 -0.04 0.00 0.00 0.00 0.00 60.65 60.68 2cr9 s ILE 86 Cb 0.12 -3.08 0.09 0.00 0.01 0.00 0.00 42.46 39.59 2cr9 s ILE 86 CO 0.86 -0.00 0.15 -0.83 0.00 0.00 0.00 174.94 175.12 2cr9 s GLY 87 N 3.27 0.28 -0.28 6.18 0.00 -1.26 -4.20 107.32 111.32 2cr9 s GLY 87 Ca 0.82 -0.47 -0.10 0.00 0.00 0.00 0.00 44.72 44.98 2cr9 s GLY 87 CO 0.37 2.02 0.15 -0.56 0.00 0.00 0.00 173.10 175.08 2cr9 s SER 88 N 2.18 5.71 0.19 1.64 0.01 -0.94 -5.01 113.70 117.49 2cr9 s SER 88 Ca 0.06 -0.15 0.07 0.00 1.31 0.00 0.00 55.95 57.23 2cr9 s SER 88 Cb -0.16 -2.05 -0.05 0.00 0.21 0.00 0.00 66.02 63.97 2cr9 s SER 88 CO -0.21 -0.07 -0.13 0.54 0.41 0.00 0.00 173.24 173.78 2cr9 s ASN 89 N 1.70 2.31 -0.01 2.44 4.22 -1.26 -0.28 114.94 124.05 2cr9 s ASN 89 Ca 0.07 -1.03 -0.01 0.00 -2.14 0.00 0.00 52.86 49.75 2cr9 s ASN 89 Cb -0.16 -0.09 0.00 0.00 1.28 0.00 0.00 41.25 42.28 2cr9 s ASN 89 CO 0.08 -0.23 0.04 -0.75 -2.04 0.00 0.00 177.10 174.20 2cr9 s LYS 90 N -3.68 0.04 -0.02 3.55 2.47 -0.05 -4.99 119.74 117.06 2cr9 s LYS 90 Ca 0.21 0.06 0.03 0.00 -1.56 0.00 0.00 55.97 54.70 2cr9 s LYS 90 Cb 0.01 0.02 0.00 0.00 -1.46 0.00 0.00 37.83 36.39 2cr9 s LYS 90 CO 0.05 -0.01 -0.10 -1.17 0.16 0.00 0.00 175.35 174.28 2cr9 s LEU 91 N 0.05 1.84 -0.09 5.43 2.96 -1.26 -1.46 118.68 126.13 2cr9 s LEU 91 Ca -0.00 -0.20 -0.04 0.00 -0.22 0.00 0.00 54.13 53.67 2cr9 s LEU 91 Cb -0.01 -0.58 0.05 0.00 0.50 0.00 0.00 46.19 46.16 2cr9 s LEU 91 CO -0.00 0.08 0.20 -1.61 -1.32 0.00 0.00 176.35 173.70 2cr9 s GLU 92 N 0.11 0.10 -0.14 1.98 2.02 -1.16 -4.97 118.70 116.64 2cr9 s GLU 92 Ca -0.02 0.56 -0.29 0.00 0.02 0.00 0.00 54.97 55.24 2cr9 s GLU 92 Cb -0.08 -0.17 -0.02 0.00 0.10 0.00 0.00 34.13 33.96 2cr9 s GLU 92 CO 0.00 -0.24 1.29 -1.14 0.02 0.00 0.00 175.26 175.19 2cr9 s GLN 93 N 1.89 4.24 0.31 1.61 -0.44 -1.26 -1.05 119.66 124.96 2cr9 s GLN 93 Ca -0.02 1.72 -0.17 0.00 -2.50 0.00 0.00 55.36 54.39 2cr9 s GLN 93 Cb -0.12 -3.75 -0.09 0.00 -1.64 0.00 0.00 33.01 27.41 2cr9 s GLN 93 CO -0.07 -0.69 0.75 -1.64 0.50 0.00 0.00 175.29 174.15 2cr9 s MET 94 N 3.37 4.08 -0.06 1.67 -1.94 0.31 -4.96 119.30 121.77 2cr9 s MET 94 Ca 0.57 0.76 -0.13 0.00 -1.71 0.00 0.00 55.69 55.17 2cr9 s MET 94 Cb -0.23 -2.51 -0.09 0.00 2.01 0.00 0.00 34.83 34.01 2cr9 s MET 94 CO 0.17 0.19 0.53 -1.00 -0.01 0.00 0.00 175.02 174.90 2cr9 h PRO 95 N 2.49 -0.26 -6.12 2.03 0.13 -1.90 -3.30 132.00 125.06 2cr9 h PRO 95 Ca -0.48 0.02 -0.57 0.00 -0.87 0.00 0.00 66.00 64.10 2cr9 h PRO 95 Cb 1.18 0.06 -0.10 0.00 0.13 0.00 0.00 31.00 32.27 2cr9 h PRO 95 CO 0.65 -0.01 -0.62 0.45 -0.23 0.00 0.00 178.00 178.23 2cr9 s SER 96 N -5.33 4.37 0.18 1.44 0.15 -1.26 -4.73 113.70 108.53 2cr9 s SER 96 Ca -0.08 -0.82 -0.13 0.00 0.70 0.00 0.00 55.95 55.63 2cr9 s SER 96 Cb 0.00 -0.67 0.13 0.00 -1.71 0.00 0.00 66.02 63.77 2cr9 s SER 96 CO 0.26 -0.14 1.80 0.50 1.20 0.00 0.00 173.24 176.86 2cr9 h LYS 97 N 1.82 0.53 0.47 5.44 3.64 -1.91 -1.92 116.57 124.65 2cr9 h LYS 97 Ca -0.43 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 58.89 2cr9 h LYS 97 Cb 1.25 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.96 2cr9 h LYS 97 CO 0.63 0.35 -0.23 0.93 -2.27 0.00 0.00 179.45 178.87 2cr9 h GLU 98 N 0.55 -0.61 -1.03 1.90 5.08 -1.98 -0.25 114.58 118.23 2cr9 h GLU 98 Ca 0.22 0.04 0.30 0.00 -1.00 0.00 0.00 59.36 58.93 2cr9 h GLU 98 Cb 0.10 0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.45 2cr9 h GLU 98 CO -0.14 -0.34 0.95 -0.44 -1.00 0.00 0.00 179.01 178.04 2cr9 h ASP 99 N -0.78 0.00 0.00 1.42 3.32 -1.90 0.99 116.42 119.47 2cr9 h ASP 99 Ca -0.07 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.96 2cr9 h ASP 99 Cb 0.55 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.10 2cr9 h ASP 99 CO 0.11 0.00 -0.14 0.00 -1.72 0.00 0.00 179.24 177.49 2cr9 h ALA 100 N 1.07 0.03 0.18 3.45 0.00 -0.60 -3.16 119.26 120.22 2cr9 h ALA 100 Ca 0.49 -0.50 0.01 0.00 0.00 0.00 0.00 54.91 54.91 2cr9 h ALA 100 Cb 2.39 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 20.25 2cr9 h ALA 100 CO -0.01 0.08 -0.19 0.82 0.00 0.00 0.00 179.25 179.95 2cr9 h ILE 101 N -1.00 0.57 -0.74 0.00 2.04 0.19 0.95 117.51 119.52 2cr9 h ILE 101 Ca -0.04 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.93 2cr9 h ILE 101 Cb 0.87 0.57 -0.13 0.00 -0.74 0.00 0.00 36.82 37.39 2cr9 h ILE 101 CO -0.02 0.00 -0.42 -0.33 0.00 0.00 0.00 178.15 177.38 2cr9 h GLU 102 N -0.41 -0.12 -0.42 2.37 5.08 0.51 1.88 114.58 123.47 2cr9 h GLU 102 Ca 0.01 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.39 2cr9 h GLU 102 Cb 0.40 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.65 2cr9 h GLU 102 CO -0.06 -0.08 0.25 1.25 -1.00 0.00 0.00 179.01 179.37 2cr9 h HIS 103 N -0.13 0.47 -0.28 4.33 2.76 -1.44 0.43 115.15 121.30 2cr9 h HIS 103 Ca 0.24 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.40 2cr9 h HIS 103 Cb 0.56 -0.15 -0.01 0.00 1.55 0.00 0.00 27.41 29.35 2cr9 h HIS 103 CO -0.77 0.27 0.09 0.35 -1.30 0.00 0.00 177.93 176.57 2cr9 h PHE 104 N 0.51 0.38 0.04 5.26 3.04 0.22 1.47 116.94 127.86 2cr9 h PHE 104 Ca 0.17 -0.01 -0.26 0.00 3.98 0.00 0.00 57.97 61.84 2cr9 h PHE 104 Cb 0.00 -0.12 0.02 0.00 2.56 0.00 0.00 35.95 38.41 2cr9 h PHE 104 CO -0.07 0.33 -1.09 0.52 -2.02 0.00 0.00 178.31 175.98 2cr9 h MET 105 N 0.39 0.56 0.05 1.11 2.86 0.38 -2.68 114.93 117.60 2cr9 h MET 105 Ca 0.10 -0.66 -0.22 0.00 -2.06 0.00 0.00 59.70 56.86 2cr9 h MET 105 Cb 0.12 0.20 0.02 0.00 0.06 0.00 0.00 31.60 32.00 2cr9 h MET 105 CO -0.01 1.27 -0.89 -0.22 1.06 0.00 0.00 176.91 178.11 2cr9 h LYS 106 N 0.29 0.51 0.17 1.72 3.64 0.36 -2.82 116.57 120.44 2cr9 h LYS 106 Ca -0.13 -0.62 0.01 0.00 -1.27 0.00 0.00 60.65 58.64 2cr9 h LYS 106 Cb 1.74 0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 33.72 2cr9 h LYS 106 CO 0.20 1.24 -0.42 -0.07 -2.27 0.00 0.00 179.45 178.14 2cr9 h LEU 107 N 0.05 -1.21 0.00 5.20 3.38 0.20 0.37 115.31 123.30 2cr9 h LEU 107 Ca -0.13 0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2cr9 h LEU 107 Cb 1.60 0.45 0.00 0.00 0.09 0.00 0.00 40.66 42.80 2cr9 h LEU 107 CO 0.17 -0.50 0.00 0.00 0.09 0.00 0.00 178.44 178.20 2cr9 n TYR 108 N -5.47 0.00 0.07 1.13 4.19 -1.01 -0.71 117.16 115.36 2cr9 n TYR 108 Ca -0.08 0.00 0.11 0.00 3.31 0.00 0.00 57.90 61.24 2cr9 n TYR 108 Cb 0.38 -0.46 -0.05 0.00 0.49 0.00 0.00 39.34 39.69 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 -1.46 0.62 0.00 2.98 2.13 0.10 -3.36 120.64 121.65 2cr9 n GLU 109 Ca 0.02 0.03 -0.22 0.00 0.66 0.00 0.00 57.16 57.65 2cr9 n GLU 109 Cb 0.07 -1.73 -0.14 0.00 0.27 0.00 0.00 31.44 29.91 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 0.24 0.10 5.31 4.11 0.16 0.36 114.58 124.86 2cr9 h GLU 110 Ca -0.01 -0.41 -0.00 0.00 0.07 0.00 0.00 59.36 59.01 2cr9 h GLU 110 Cb 1.02 0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.42 2cr9 h GLU 110 CO 0.00 1.20 -0.05 0.87 0.07 0.00 0.00 179.01 181.10 2cr9 h LYS 111 N -0.25 -0.13 0.13 1.06 1.79 -1.55 -3.26 116.57 114.36 2cr9 h LYS 111 Ca -0.34 0.01 -0.25 0.00 -2.18 0.00 0.00 60.65 57.88 2cr9 h LYS 111 Cb 1.81 0.03 0.01 0.00 -1.58 0.00 0.00 32.23 32.50 2cr9 h LYS 111 CO 0.05 0.01 -1.23 1.79 -1.08 0.00 0.00 179.45 178.98 2cr9 h THR 112 N -0.23 1.20 0.00 -0.16 1.35 -1.65 0.33 112.91 113.75 2cr9 h THR 112 Ca -0.01 -2.47 0.00 0.00 -0.55 0.00 0.00 66.41 63.38 2cr9 h THR 112 Cb 0.19 2.89 0.00 0.00 -1.73 0.00 0.00 68.15 69.51 2cr9 h THR 112 CO 0.02 0.72 0.00 0.61 -0.25 0.00 0.00 175.52 176.62 2cr9 n GLY 113 N 1.72 2.62 3.88 5.82 0.00 0.13 -4.45 105.19 114.91 2cr9 n GLY 113 Ca -0.21 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.84 5.96 0.80 1.61 0.01 -1.19 -4.81 114.94 116.48 2cr9 s ASN 114 Ca 0.00 0.01 -0.14 0.00 -0.71 0.00 0.00 52.86 52.02 2cr9 s ASN 114 Cb 0.00 -1.69 0.07 0.00 0.41 0.00 0.00 41.25 40.04 2cr9 s ASN 114 CO 0.00 0.04 1.14 0.00 -1.51 0.00 0.00 177.10 176.77 2cr9 n ALA 115 N -0.61 -0.12 -0.02 0.60 0.00 -1.26 -4.05 120.51 115.04 2cr9 n ALA 115 Ca -0.08 -0.31 -0.01 0.00 0.00 0.00 0.00 53.44 53.04 2cr9 n ALA 115 Cb 0.55 -2.22 -0.00 0.00 0.00 0.00 0.00 19.45 17.78 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 -0.79 -0.04 -0.73 0.00 2.91 -1.86 -3.34 115.95 112.09 2cr9 h TRP 116 Ca -0.46 -0.00 0.14 0.00 1.13 0.00 0.00 58.89 59.70 2cr9 h TRP 116 Cb 1.30 0.01 -0.14 0.00 -0.51 0.00 0.00 29.16 29.83 2cr9 h TRP 116 CO 0.45 -0.03 -0.22 0.45 -1.03 0.00 0.00 178.44 178.06 2cr9 h HIS 117 N -0.91 -0.52 -0.02 2.65 3.86 -1.93 -3.39 115.15 114.90 2cr9 h HIS 117 Ca -0.00 0.07 -0.77 0.00 -1.16 0.00 0.00 60.37 58.51 2cr9 h HIS 117 Cb 0.04 0.34 -0.04 0.00 1.06 0.00 0.00 27.41 28.81 2cr9 h HIS 117 CO 0.00 -0.34 1.33 0.45 0.86 0.00 0.00 177.93 180.23 2cr9 n SER 118 N -5.48 0.77 0.00 2.45 2.88 -1.26 -4.84 113.62 108.13 2cr9 n SER 118 Ca 0.09 0.67 0.00 0.00 -1.33 0.00 0.00 58.87 58.30 2cr9 n SER 118 Cb 0.38 -0.91 0.00 0.00 -0.75 0.00 0.00 64.21 62.93 2cr9 n SER 118 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2cr9 n LYS 119 N 7.52 0.00 -1.51 -1.46 4.01 -1.26 -4.37 118.16 121.09 2cr9 n LYS 119 Ca 0.55 0.03 -0.37 0.00 -0.51 0.00 0.00 58.31 58.01 2cr9 n LYS 119 Cb -0.04 -0.91 -0.15 0.00 -0.51 0.00 0.00 35.03 33.42 2cr9 n LYS 119 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 2cr9 n ASN 120 N -0.43 0.19 -4.56 4.39 4.13 -1.26 -4.83 115.26 112.89 2cr9 n ASN 120 Ca 0.00 -0.05 -0.40 0.00 1.68 0.00 0.00 54.58 55.81 2cr9 n ASN 120 Cb 0.00 -0.93 -0.10 0.00 -1.54 0.00 0.00 39.78 37.21 2cr9 n ASN 120 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 2cr9 s PHE 121 N 7.83 3.22 -0.18 3.10 5.36 -1.26 -5.06 117.98 131.00 2cr9 s PHE 121 Ca 1.31 -0.01 -0.22 0.00 -0.96 0.00 0.00 56.93 57.05 2cr9 s PHE 121 Cb -1.07 -2.53 -0.02 0.00 -0.34 0.00 0.00 43.02 39.06 2cr9 s PHE 121 CO 0.47 -0.32 0.69 0.99 -1.46 0.00 0.00 175.22 175.59 2cr9 s THR 122 N 1.86 4.99 -0.21 0.12 2.01 -1.26 -5.00 115.64 118.15 2cr9 s THR 122 Ca 0.09 1.33 -0.29 0.00 0.31 0.00 0.00 61.69 63.13 2cr9 s THR 122 Cb -0.17 -4.00 -0.03 0.00 0.01 0.00 0.00 72.50 68.31 2cr9 s THR 122 CO 0.11 0.11 1.70 -0.75 -0.69 0.00 0.00 174.62 175.10 2cr9 s LYS 123 N 1.84 3.73 0.72 4.92 2.20 -1.26 -4.94 119.74 126.96 2cr9 s LYS 123 Ca 0.32 1.74 -0.04 0.00 -0.36 0.00 0.00 55.97 57.64 2cr9 s LYS 123 Cb -0.16 -4.08 0.11 0.00 -1.51 0.00 0.00 37.83 32.18 2cr9 s LYS 123 CO 0.12 -1.38 1.01 0.71 -0.36 0.00 0.00 175.35 175.45 2cr9 s TYR 124 N 5.52 2.06 0.00 4.03 1.51 -1.26 -5.09 117.35 124.12 2cr9 s TYR 124 Ca 0.76 -0.00 0.00 0.00 -1.01 0.00 0.00 57.07 56.81 2cr9 s TYR 124 Cb -0.27 -3.16 0.00 0.00 -0.11 0.00 0.00 41.96 38.43 2cr9 s TYR 124 CO 0.31 -1.65 0.00 -0.35 -1.11 0.00 0.00 175.55 172.75 2cr9 n PRO 125 N -2.91 0.00 -1.18 -1.71 -0.04 -1.26 -4.34 135.00 123.56 2cr9 n PRO 125 Ca 0.12 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.32 2cr9 n PRO 125 Cb 0.60 -0.07 -0.10 0.00 -0.04 0.00 0.00 33.50 33.89 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 2.90 -4.46 0.54 5.02 -1.26 -4.83 118.16 116.07 2cr9 n LYS 126 Ca 0.00 -1.65 -0.22 0.00 -2.02 0.00 0.00 58.31 54.42 2cr9 n LYS 126 Cb 0.00 -2.41 -0.10 0.00 -0.02 0.00 0.00 35.03 32.50 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 1.52 1.62 -0.52 1.97 -0.14 -1.26 -5.02 119.74 117.91 2cr9 s LYS 127 Ca 0.68 -1.85 -0.14 0.00 -1.36 0.00 0.00 55.97 53.29 2cr9 s LYS 127 Cb 0.25 -1.14 0.13 0.00 -1.68 0.00 0.00 37.83 35.39 2cr9 s LYS 127 CO -0.03 -0.03 0.46 -0.06 -0.76 0.00 0.00 175.35 174.93 2cr9 s PHE 128 N -3.05 3.29 0.57 3.18 0.08 0.11 -4.65 117.98 117.51 2cr9 s PHE 128 Ca 0.32 -1.43 -0.05 0.00 0.12 0.00 0.00 56.93 55.89 2cr9 s PHE 128 Cb 0.06 -3.73 0.01 0.00 -0.57 0.00 0.00 43.02 38.79 2cr9 s PHE 128 CO 0.14 -1.01 0.86 1.52 -0.10 0.00 0.00 175.22 176.62 2cr9 s TYR 129 N 1.54 3.24 0.04 0.36 -0.85 -1.25 -3.81 117.35 116.61 2cr9 s TYR 129 Ca 0.04 0.56 -0.30 0.00 -0.52 0.00 0.00 57.07 56.84 2cr9 s TYR 129 Cb -0.29 -2.67 -0.05 0.00 0.38 0.00 0.00 41.96 39.33 2cr9 s TYR 129 CO 0.02 -0.75 1.17 -1.25 -1.52 0.00 0.00 175.55 173.22 2cr9 s PRO 130 N -4.92 4.44 -0.12 -3.49 0.04 -1.26 -0.27 135.00 129.42 2cr9 s PRO 130 Ca 0.53 1.72 -0.25 0.00 0.04 0.00 0.00 61.00 63.03 2cr9 s PRO 130 Cb -0.10 -3.38 -0.27 0.00 0.04 0.00 0.00 34.50 30.79 2cr9 s PRO 130 CO 0.44 -0.25 0.72 -0.07 0.04 0.00 0.00 177.00 177.88 2cr9 h LEU 131 N 6.94 0.15 -8.56 -3.56 3.38 -0.78 -3.43 115.31 109.44 2cr9 h LEU 131 Ca -0.41 -0.92 -0.52 0.00 0.09 0.00 0.00 57.88 56.12 2cr9 h LEU 131 Cb 1.21 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.88 2cr9 h LEU 131 CO 0.81 1.20 1.31 -0.70 0.09 0.00 0.00 178.44 181.15 2cr9 s GLU 132 N -2.31 2.82 0.02 1.13 2.12 -1.25 -4.96 118.70 116.28 2cr9 s GLU 132 Ca -0.19 0.72 0.08 0.00 0.36 0.00 0.00 54.97 55.95 2cr9 s GLU 132 Cb -0.00 -4.33 -0.03 0.00 0.26 0.00 0.00 34.13 30.03 2cr9 s GLU 132 CO 0.72 -2.50 -0.24 0.42 -0.54 0.00 0.00 175.26 173.12 2cr9 s ILE 133 N 8.36 2.29 -0.16 -3.70 -1.09 -1.26 -4.99 121.20 120.65 2cr9 s ILE 133 Ca 0.67 -1.24 -0.29 0.00 -2.23 0.00 0.00 60.65 57.57 2cr9 s ILE 133 Cb -0.14 -1.88 0.09 0.00 -1.58 0.00 0.00 42.46 38.95 2cr9 s ILE 133 CO 0.23 0.43 0.79 -0.44 -1.23 0.00 0.00 174.94 174.73 2cr9 s SER 134 N -1.07 -0.61 0.00 3.58 0.01 -1.26 -5.15 113.70 109.20 2cr9 s SER 134 Ca 0.12 0.87 0.00 0.00 1.31 0.00 0.00 55.95 58.25 2cr9 s SER 134 Cb -0.10 0.78 0.00 0.00 0.21 0.00 0.00 66.02 66.91 2cr9 s SER 134 CO 0.02 -0.41 0.00 0.61 0.41 0.00 0.00 173.24 173.87 2cr9 n GLY 135 N 1.51 -1.62 1.85 3.44 0.00 -1.26 -4.98 105.19 104.13 2cr9 n GLY 135 Ca -0.15 -1.54 -0.15 0.00 0.00 0.00 0.00 46.02 44.18 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 -1.94 -1.35 0.00 1.61 -0.04 -1.26 -4.93 135.00 127.09 2cr9 n PRO 136 Ca 0.00 -0.96 0.00 0.00 -0.04 0.00 0.00 63.50 62.50 2cr9 n PRO 136 Cb 0.00 -0.75 0.00 0.00 -0.04 0.00 0.00 33.50 32.71 2cr9 n PRO 136 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2cr9 n SER 137 N -3.68 0.00 -4.34 3.54 3.41 -1.26 -5.13 113.62 106.16 2cr9 n SER 137 Ca 0.08 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.26 2cr9 n SER 137 Cb 0.29 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.24 2cr9 n SER 137 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2cr9 n SER 138 N 0.00 -2.35 0.00 4.04 7.64 -1.26 -5.15 113.62 116.54 2cr9 n SER 138 Ca 0.00 0.87 0.00 0.00 1.01 0.00 0.00 58.87 60.75 2cr9 n SER 138 Cb 0.00 -0.93 0.00 0.00 -1.01 0.00 0.00 64.21 62.27 2cr9 n SER 138 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64