#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 -5.85 -3.61 1.61 7.64 -1.26 -5.10 113.62 107.05 2cr9 n SER 2 Ca 0.00 1.11 -0.02 0.00 1.01 0.00 0.00 58.87 60.97 2cr9 n SER 2 Cb 0.00 -3.03 -0.02 0.00 -1.01 0.00 0.00 64.21 60.16 2cr9 n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2cr9 s SER 3 N -4.01 -0.06 0.32 6.43 1.04 -1.26 -5.19 113.70 110.97 2cr9 s SER 3 Ca 0.00 -0.02 -0.02 0.00 0.48 0.00 0.00 55.95 56.39 2cr9 s SER 3 Cb 0.00 0.08 -0.01 0.00 0.10 0.00 0.00 66.02 66.19 2cr9 s SER 3 CO 0.00 -0.14 0.42 -0.83 0.98 0.00 0.00 173.24 173.67 2cr9 s GLY 4 N -2.35 1.52 0.06 7.32 0.00 -1.26 -5.18 107.32 107.43 2cr9 s GLY 4 Ca 0.12 -1.55 -0.26 0.00 0.00 0.00 0.00 44.72 43.02 2cr9 s GLY 4 CO -0.04 -1.07 0.76 -1.35 0.00 0.00 0.00 173.10 171.40 2cr9 s SER 5 N -3.23 -0.46 0.01 1.64 1.04 -1.26 -5.18 113.70 106.26 2cr9 s SER 5 Ca 0.32 0.02 -0.00 0.00 0.48 0.00 0.00 55.95 56.77 2cr9 s SER 5 Cb 0.01 0.48 -0.01 0.00 0.10 0.00 0.00 66.02 66.60 2cr9 s SER 5 CO 0.20 -0.77 -0.01 -0.55 0.98 0.00 0.00 173.24 173.08 2cr9 s SER 6 N -2.55 0.11 -0.12 7.02 0.15 -1.26 -5.16 113.70 111.90 2cr9 s SER 6 Ca 0.03 -0.24 -0.28 0.00 0.70 0.00 0.00 55.95 56.16 2cr9 s SER 6 Cb -0.01 0.05 0.07 0.00 -1.71 0.00 0.00 66.02 64.42 2cr9 s SER 6 CO -0.10 -0.14 0.67 -0.83 1.20 0.00 0.00 173.24 174.04 2cr9 s GLY 7 N -0.70 -0.55 0.42 9.45 0.00 -1.26 -5.14 107.32 109.54 2cr9 s GLY 7 Ca -0.08 1.50 -0.21 0.00 0.00 0.00 0.00 44.72 45.93 2cr9 s GLY 7 CO -0.00 1.18 0.20 0.58 0.00 0.00 0.00 173.10 175.05 2cr9 n LYS 8 N 1.52 0.14 -3.69 2.90 0.00 -1.26 -4.98 118.16 112.78 2cr9 n LYS 8 Ca -0.17 0.05 -0.13 0.00 -0.00 0.00 0.00 58.31 58.06 2cr9 n LYS 8 Cb 0.56 -1.14 -0.13 0.00 -0.00 0.00 0.00 35.03 34.33 2cr9 n LYS 8 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 2cr9 s SER 9 N -1.00 0.01 0.45 -5.58 1.04 -1.26 -5.10 113.70 102.26 2cr9 s SER 9 Ca 0.60 0.59 0.00 0.00 0.48 0.00 0.00 55.95 57.63 2cr9 s SER 9 Cb -0.62 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.09 2cr9 s SER 9 CO 0.61 -0.20 0.00 -0.62 0.98 0.00 0.00 173.24 174.01 2cr9 n GLU 10 N 4.78 -3.24 -3.99 4.02 1.02 -1.26 -5.05 120.64 116.92 2cr9 n GLU 10 Ca -0.16 2.50 -0.08 0.00 -0.02 0.00 0.00 57.16 59.40 2cr9 n GLU 10 Cb 0.51 -3.09 -0.09 0.00 -0.02 0.00 0.00 31.44 28.76 2cr9 n GLU 10 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2cr9 s LYS 11 N -4.98 0.64 0.24 3.49 1.02 -1.26 -5.15 119.74 113.74 2cr9 s LYS 11 Ca 0.00 -1.01 -0.26 0.00 0.02 0.00 0.00 55.97 54.72 2cr9 s LYS 11 Cb 0.00 0.24 -0.09 0.00 -0.52 0.00 0.00 37.83 37.46 2cr9 s LYS 11 CO 0.00 -0.15 0.86 0.50 -0.92 0.00 0.00 175.35 175.64 2cr9 s ARG 12 N -3.46 4.62 -0.24 1.68 3.00 -1.26 -5.04 118.95 118.24 2cr9 s ARG 12 Ca 0.02 1.26 -0.30 0.00 -1.00 0.00 0.00 55.73 55.72 2cr9 s ARG 12 Cb 0.04 -3.10 0.17 0.00 0.00 0.00 0.00 34.95 32.06 2cr9 s ARG 12 CO -0.08 0.46 1.24 0.00 0.00 0.00 0.00 175.30 176.91 2cr9 s MET 13 N -1.50 0.24 -0.07 5.12 0.23 -1.26 -5.18 119.30 116.88 2cr9 s MET 13 Ca 0.42 0.06 -0.31 0.00 -1.03 0.00 0.00 55.69 54.83 2cr9 s MET 13 Cb -0.22 0.11 0.07 0.00 -1.53 0.00 0.00 34.83 33.26 2cr9 s MET 13 CO 0.27 -0.08 0.69 -1.59 -2.03 0.00 0.00 175.02 172.28 2cr9 s LYS 14 N -1.06 1.04 -0.30 3.16 -2.85 -1.26 -5.14 119.74 113.33 2cr9 s LYS 14 Ca 0.05 0.31 -0.17 0.00 -1.00 0.00 0.00 55.97 55.17 2cr9 s LYS 14 Cb -0.01 0.49 0.18 0.00 -2.06 0.00 0.00 37.83 36.43 2cr9 s LYS 14 CO -0.05 -0.31 1.20 -0.51 0.10 0.00 0.00 175.35 175.78 2cr9 s LEU 15 N -1.07 -0.07 0.00 2.77 1.43 -1.26 -5.05 118.68 115.43 2cr9 s LEU 15 Ca -0.10 0.02 -0.20 0.00 -1.03 0.00 0.00 54.13 52.83 2cr9 s LEU 15 Cb -0.00 1.05 -0.26 0.00 0.03 0.00 0.00 46.19 47.01 2cr9 s LEU 15 CO 0.09 -0.01 1.06 0.71 0.23 0.00 0.00 176.35 178.43 2cr9 h THR 16 N 4.50 1.43 -5.35 5.49 1.35 -2.02 -3.49 112.91 114.81 2cr9 h THR 16 Ca -0.11 -2.22 -0.02 0.00 -0.55 0.00 0.00 66.41 63.51 2cr9 h THR 16 Cb 1.17 2.73 0.00 0.00 -1.73 0.00 0.00 68.15 70.32 2cr9 h THR 16 CO -0.20 0.65 -0.50 0.18 -0.25 0.00 0.00 175.52 175.40 2cr9 n LEU 17 N -4.14 -7.60 -4.18 3.87 4.77 -1.26 -4.88 117.00 103.58 2cr9 n LEU 17 Ca -0.11 0.45 -0.44 0.00 -0.03 0.00 0.00 56.01 55.88 2cr9 n LEU 17 Cb 0.74 -3.31 0.00 0.00 -2.33 0.00 0.00 43.42 38.53 2cr9 n LEU 17 CO 0.49 -2.15 1.43 0.29 -1.33 0.00 0.00 177.39 176.11 2cr9 n LYS 18 N -0.42 3.67 0.00 3.23 4.01 -1.26 -4.81 118.16 122.58 2cr9 n LYS 18 Ca 0.10 -3.97 0.00 0.00 -0.51 0.00 0.00 58.31 53.93 2cr9 n LYS 18 Cb 0.47 -2.83 0.00 0.00 -0.51 0.00 0.00 35.03 32.16 2cr9 n LYS 18 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2cr9 n GLY 19 N 2.97 4.28 0.00 0.72 0.00 -1.26 -5.18 105.19 106.72 2cr9 n GLY 19 Ca 0.34 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.60 3.29 3.87 -0.02 0.00 -1.26 -5.11 105.19 105.36 2cr9 n GLY 20 Ca 0.00 -0.15 -0.30 0.00 0.00 0.00 0.00 46.02 45.57 2cr9 n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cr9 s ALA 21 N -1.49 2.73 0.10 4.61 0.00 -1.26 -5.00 121.76 121.44 2cr9 s ALA 21 Ca 0.00 -0.35 -0.22 0.00 0.00 0.00 0.00 51.96 51.39 2cr9 s ALA 21 Cb 0.00 -3.04 -0.07 0.00 0.00 0.00 0.00 23.12 20.02 2cr9 s ALA 21 CO 0.00 -1.32 0.67 0.00 0.00 0.00 0.00 175.76 175.11 2cr9 s ALA 22 N -3.34 3.50 0.31 0.00 0.00 -1.26 -3.93 121.76 117.05 2cr9 s ALA 22 Ca 0.59 0.18 -0.03 0.00 0.00 0.00 0.00 51.96 52.71 2cr9 s ALA 22 Cb -0.12 -2.81 -0.04 0.00 0.00 0.00 0.00 23.12 20.15 2cr9 s ALA 22 CO 0.52 0.30 0.55 0.08 0.00 0.00 0.00 175.76 177.20 2cr9 s VAL 23 N -0.90 5.07 0.28 0.00 1.01 -1.26 -4.84 120.40 119.75 2cr9 s VAL 23 Ca 0.33 -0.16 -0.15 0.00 0.00 0.00 0.00 61.98 62.00 2cr9 s VAL 23 Cb -0.21 -3.79 -0.08 0.00 0.00 0.00 0.00 36.38 32.30 2cr9 s VAL 23 CO 0.22 -0.42 0.69 -0.62 0.00 0.00 0.00 175.10 174.97 2cr9 s ASP 24 N -3.52 6.80 0.41 3.32 2.15 -1.26 -4.80 116.67 119.76 2cr9 s ASP 24 Ca 0.42 1.23 0.27 0.00 0.43 0.00 0.00 52.55 54.91 2cr9 s ASP 24 Cb -0.10 -2.35 0.88 0.00 -0.30 0.00 0.00 42.92 41.04 2cr9 s ASP 24 CO 0.33 -0.12 1.78 1.55 -0.17 0.00 0.00 175.17 178.54 2cr9 h PRO 25 N 2.58 0.00 0.00 4.34 0.13 -1.97 -2.80 132.00 134.29 2cr9 h PRO 25 Ca -0.48 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.60 2cr9 h PRO 25 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 2cr9 h PRO 25 CO 0.66 0.00 -0.25 -0.44 -0.23 0.00 0.00 178.00 177.74 2cr9 h ASP 26 N 0.00 0.00 0.75 1.44 3.32 -2.03 -2.39 116.42 117.51 2cr9 h ASP 26 Ca 0.00 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.87 2cr9 h ASP 26 Cb 0.68 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.21 2cr9 h ASP 26 CO 0.00 0.25 -0.83 0.77 -1.72 0.00 0.00 179.24 177.71 2cr9 h SER 27 N 0.00 0.07 0.00 6.45 4.64 -1.90 -3.47 113.55 119.34 2cr9 h SER 27 Ca -0.00 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 2cr9 h SER 27 Cb 0.68 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 2cr9 h SER 27 CO 0.03 0.87 0.00 0.61 -0.87 0.00 0.00 176.83 177.47 2cr9 n GLY 28 N 0.83 3.14 1.13 -0.77 0.00 -0.90 -4.79 105.19 103.83 2cr9 n GLY 28 Ca -0.01 0.00 0.06 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 3.26 0.23 0.99 7.99 -1.26 -4.16 117.00 124.04 2cr9 n LEU 29 Ca 0.00 -1.64 0.07 0.00 -0.01 0.00 0.00 56.01 54.42 2cr9 n LEU 29 Cb 0.00 -0.48 0.58 0.00 -0.11 0.00 0.00 43.42 43.41 2cr9 n LEU 29 CO 0.00 0.54 1.02 1.05 -1.51 0.00 0.00 177.39 178.49 2cr9 h GLU 30 N 2.56 0.04 -0.04 3.23 4.11 -1.77 0.94 114.58 123.65 2cr9 h GLU 30 Ca 0.00 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2cr9 h GLU 30 Cb 1.05 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.29 2cr9 h GLU 30 CO 0.17 0.09 0.00 -2.39 0.07 0.00 0.00 179.01 176.95 2cr9 n HIS 31 N -4.46 0.06 -0.01 2.06 1.44 -1.26 -4.73 115.22 108.31 2cr9 n HIS 31 Ca -0.02 -0.34 -0.05 0.00 -2.01 0.00 0.00 57.72 55.29 2cr9 n HIS 31 Cb 0.14 -0.03 -0.02 0.00 0.12 0.00 0.00 29.99 30.20 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 -0.17 1.04 -3.73 4.39 7.64 -0.78 -5.09 113.62 116.93 2cr9 n SER 32 Ca 0.02 0.16 -0.16 0.00 1.01 0.00 0.00 58.87 59.90 2cr9 n SER 32 Cb 0.21 -0.37 0.00 0.00 -1.01 0.00 0.00 64.21 63.04 2cr9 n SER 32 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2cr9 n ALA 33 N -3.62 0.52 -2.79 -0.43 0.00 0.32 -4.48 120.51 110.04 2cr9 n ALA 33 Ca -0.10 -1.34 -0.10 0.00 0.00 0.00 0.00 53.44 51.90 2cr9 n ALA 33 Cb 0.35 0.55 -0.06 0.00 0.00 0.00 0.00 19.45 20.29 2cr9 n ALA 33 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 2cr9 s HIS 34 N -1.65 -0.03 0.21 0.00 -3.43 -0.98 -4.41 115.29 105.01 2cr9 s HIS 34 Ca 0.19 -0.33 -0.32 0.00 -0.80 0.00 0.00 55.06 53.80 2cr9 s HIS 34 Cb -0.02 0.10 -0.14 0.00 -1.43 0.00 0.00 32.58 31.09 2cr9 s HIS 34 CO 0.12 -0.61 1.36 0.28 -2.00 0.00 0.00 174.74 173.89 2cr9 n VAL 35 N -0.09 0.84 -1.52 -5.38 0.31 -1.25 0.65 118.33 111.89 2cr9 n VAL 35 Ca -0.16 -0.21 -0.33 0.00 -0.01 0.00 0.00 64.34 63.63 2cr9 n VAL 35 Cb 0.63 -1.32 0.07 0.00 -0.91 0.00 0.00 33.84 32.32 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 0.29 3.28 -0.07 7.52 2.96 0.52 -4.61 118.68 128.58 2cr9 s LEU 36 Ca 0.70 2.10 -0.04 0.00 -0.22 0.00 0.00 54.13 56.68 2cr9 s LEU 36 Cb -0.71 -4.56 0.03 0.00 0.50 0.00 0.00 46.19 41.46 2cr9 s LEU 36 CO 0.49 -1.98 0.16 -1.61 -1.32 0.00 0.00 176.35 172.10 2cr9 s GLU 37 N -4.18 0.13 0.01 1.98 2.02 -1.26 -1.67 118.70 115.74 2cr9 s GLU 37 Ca 0.68 0.35 -0.12 0.00 0.02 0.00 0.00 54.97 55.90 2cr9 s GLU 37 Cb -0.23 -0.10 0.02 0.00 0.10 0.00 0.00 34.13 33.91 2cr9 s GLU 37 CO 0.45 -0.13 0.26 0.21 0.02 0.00 0.00 175.26 176.08 2cr9 s LYS 38 N 0.90 0.68 -1.60 1.61 2.20 -0.78 -4.90 119.74 117.86 2cr9 s LYS 38 Ca -0.07 -0.39 -0.05 0.00 -0.36 0.00 0.00 55.97 55.10 2cr9 s LYS 38 Cb -0.09 0.30 0.05 0.00 -1.51 0.00 0.00 37.83 36.58 2cr9 s LYS 38 CO -0.05 -0.20 0.20 0.41 -0.36 0.00 0.00 175.35 175.36 2cr9 n GLY 39 N 1.00 -0.20 3.96 5.54 0.00 -1.26 0.14 105.19 114.37 2cr9 n GLY 39 Ca -0.20 0.15 -0.31 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.18 -0.47 3.30 -0.02 0.00 -1.26 -4.96 105.19 99.60 2cr9 n GLY 40 Ca -0.23 0.18 -0.16 0.00 0.00 0.00 0.00 46.02 45.81 2cr9 n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cr9 s LYS 41 N -6.64 1.34 -0.06 1.61 -0.14 0.36 -5.16 119.74 111.05 2cr9 s LYS 41 Ca 0.63 -1.71 0.06 0.00 -1.36 0.00 0.00 55.97 53.59 2cr9 s LYS 41 Cb -0.32 -0.26 -0.01 0.00 -1.68 0.00 0.00 37.83 35.55 2cr9 s LYS 41 CO 0.85 -0.25 -0.23 0.08 -0.76 0.00 0.00 175.35 175.04 2cr9 s VAL 42 N -3.73 2.27 -1.48 3.17 1.01 -1.26 -1.86 120.40 118.52 2cr9 s VAL 42 Ca 0.34 -1.00 -0.08 0.00 0.00 0.00 0.00 61.98 61.25 2cr9 s VAL 42 Cb 0.07 -1.84 0.01 0.00 0.00 0.00 0.00 36.38 34.63 2cr9 s VAL 42 CO 0.11 0.57 2.67 0.49 0.00 0.00 0.00 175.10 178.95 2cr9 n PHE 43 N 2.81 2.52 -3.58 5.22 3.01 -0.67 -4.75 117.46 122.03 2cr9 n PHE 43 Ca -0.17 -2.96 -0.29 0.00 1.01 0.00 0.00 57.45 55.03 2cr9 n PHE 43 Cb 0.52 -2.18 -0.14 0.00 -0.01 0.00 0.00 39.48 37.67 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 1.31 3.53 -0.07 4.37 0.15 -1.26 -2.25 113.70 119.48 2cr9 s SER 44 Ca 0.62 -1.65 0.03 0.00 0.70 0.00 0.00 55.95 55.64 2cr9 s SER 44 Cb 0.18 -0.52 -0.02 0.00 -1.71 0.00 0.00 66.02 63.95 2cr9 s SER 44 CO -0.08 -0.39 -0.16 0.00 1.20 0.00 0.00 173.24 173.81 2cr9 s ALA 45 N 1.65 2.55 -0.31 5.45 0.00 -0.80 -4.97 121.76 125.33 2cr9 s ALA 45 Ca 0.12 -0.97 -0.02 0.00 0.00 0.00 0.00 51.96 51.09 2cr9 s ALA 45 Cb -0.18 -0.98 0.05 0.00 0.00 0.00 0.00 23.12 22.01 2cr9 s ALA 45 CO -0.23 0.44 0.01 0.99 0.00 0.00 0.00 175.76 176.97 2cr9 s THR 46 N -0.31 3.02 0.34 0.00 2.01 -1.26 0.59 115.64 120.02 2cr9 s THR 46 Ca 0.02 -1.41 -0.03 0.00 0.31 0.00 0.00 61.69 60.58 2cr9 s THR 46 Cb -0.13 -2.75 -0.04 0.00 0.01 0.00 0.00 72.50 69.59 2cr9 s THR 46 CO 0.03 -0.14 0.60 -0.76 -0.69 0.00 0.00 174.62 173.66 2cr9 s LEU 47 N 1.25 3.97 -0.23 4.42 1.02 0.45 -1.36 118.68 128.20 2cr9 s LEU 47 Ca -0.04 0.68 -0.16 0.00 0.02 0.00 0.00 54.13 54.63 2cr9 s LEU 47 Cb -0.20 -3.54 0.07 0.00 0.02 0.00 0.00 46.19 42.54 2cr9 s LEU 47 CO -0.01 -0.29 0.59 -0.83 0.02 0.00 0.00 176.35 175.83 2cr9 s GLY 48 N -3.57 -0.50 -0.02 -3.19 0.00 -0.02 -1.12 107.32 98.90 2cr9 s GLY 48 Ca 0.43 1.95 -0.02 0.00 0.00 0.00 0.00 44.72 47.09 2cr9 s GLY 48 CO 0.34 1.90 0.05 -2.27 0.00 0.00 0.00 173.10 173.12 2cr9 s LEU 49 N 1.12 1.66 -0.09 0.66 2.96 0.21 -3.35 118.68 121.85 2cr9 s LEU 49 Ca -0.06 0.10 -0.04 0.00 -0.22 0.00 0.00 54.13 53.91 2cr9 s LEU 49 Cb -0.06 0.15 0.05 0.00 0.50 0.00 0.00 46.19 46.84 2cr9 s LEU 49 CO -0.11 -0.04 0.20 0.54 -1.32 0.00 0.00 176.35 175.62 2cr9 s VAL 50 N 0.22 -0.16 0.01 1.68 0.11 -1.26 0.30 120.40 121.30 2cr9 s VAL 50 Ca -0.02 0.23 -0.16 0.00 -2.93 0.00 0.00 61.98 59.11 2cr9 s VAL 50 Cb -0.02 -0.33 -0.06 0.00 -1.53 0.00 0.00 36.38 34.44 2cr9 s VAL 50 CO -0.01 0.09 0.44 -1.81 -3.33 0.00 0.00 175.10 170.49 2cr9 s ASP 51 N 1.67 6.86 0.03 3.54 1.01 -0.42 -4.92 116.67 124.43 2cr9 s ASP 51 Ca -0.05 1.02 -0.01 0.00 0.71 0.00 0.00 52.55 54.23 2cr9 s ASP 51 Cb -0.11 -2.27 -0.26 0.00 1.01 0.00 0.00 42.92 41.28 2cr9 s ASP 51 CO -0.07 0.32 0.96 -0.29 0.21 0.00 0.00 175.17 176.30 2cr9 h ILE 52 N 3.67 1.29 0.00 0.77 2.10 -1.95 0.50 117.51 123.89 2cr9 h ILE 52 Ca -0.51 -2.94 -0.02 0.00 1.08 0.00 0.00 64.86 62.47 2cr9 h ILE 52 Cb 1.22 2.79 -0.00 0.00 -1.09 0.00 0.00 36.82 39.73 2cr9 h ILE 52 CO 0.62 0.83 -0.12 -0.37 -1.08 0.00 0.00 178.15 178.02 2cr9 h VAL 53 N 0.05 1.10 0.00 2.19 -1.51 -1.99 -3.30 116.25 112.79 2cr9 h VAL 53 Ca -0.19 -1.87 0.00 0.00 -1.23 0.00 0.00 66.70 63.41 2cr9 h VAL 53 Cb 1.97 2.13 0.00 0.00 -2.13 0.00 0.00 31.29 33.26 2cr9 h VAL 53 CO 0.16 0.37 0.00 0.11 -1.23 0.00 0.00 177.57 176.98 2cr9 h LYS 54 N -1.00 0.00 -5.74 5.19 1.57 -1.99 -3.46 116.57 111.14 2cr9 h LYS 54 Ca -0.03 0.00 -0.43 0.00 -1.87 0.00 0.00 60.65 58.32 2cr9 h LYS 54 Cb 0.70 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.98 2cr9 h LYS 54 CO -0.02 0.00 -0.67 0.41 -0.57 0.00 0.00 179.45 178.60 2cr9 n GLY 55 N 0.18 -0.50 3.24 3.86 0.00 0.15 -4.95 105.19 107.18 2cr9 n GLY 55 Ca 0.01 0.15 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 2cr9 n GLY 55 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2cr9 s THR 56 N -3.17 3.04 -0.39 2.61 -1.32 -1.13 -4.89 115.64 110.40 2cr9 s THR 56 Ca 0.53 -0.83 -0.16 0.00 -1.21 0.00 0.00 61.69 60.02 2cr9 s THR 56 Cb -0.26 -2.48 0.01 0.00 -1.51 0.00 0.00 72.50 68.25 2cr9 s THR 56 CO 0.65 0.29 0.35 0.20 -2.21 0.00 0.00 174.62 173.90 2cr9 s ASN 57 N 1.38 6.15 0.31 8.08 -0.87 -1.26 -1.31 114.94 127.42 2cr9 s ASN 57 Ca 0.02 -0.61 0.08 0.00 -1.57 0.00 0.00 52.86 50.79 2cr9 s ASN 57 Cb -0.16 -2.19 -0.04 0.00 -0.02 0.00 0.00 41.25 38.85 2cr9 s ASN 57 CO -0.04 -0.44 0.15 -0.44 -2.57 0.00 0.00 177.10 173.75 2cr9 s SER 58 N 1.74 4.89 -0.18 -1.22 0.01 0.86 0.15 113.70 119.97 2cr9 s SER 58 Ca 0.09 -0.62 -0.08 0.00 1.31 0.00 0.00 55.95 56.65 2cr9 s SER 58 Cb -0.18 -0.90 0.07 0.00 0.21 0.00 0.00 66.02 65.22 2cr9 s SER 58 CO 0.12 -0.21 0.40 -0.72 0.41 0.00 0.00 173.24 173.24 2cr9 s TYR 59 N -2.34 -0.65 -0.27 2.43 1.13 -0.78 -0.62 117.35 116.25 2cr9 s TYR 59 Ca 0.36 1.34 -0.01 0.00 -1.41 0.00 0.00 57.07 57.35 2cr9 s TYR 59 Cb -0.05 0.26 0.04 0.00 -1.10 0.00 0.00 41.96 41.11 2cr9 s TYR 59 CO 0.23 -0.39 -0.04 -0.47 -2.51 0.00 0.00 175.55 172.38 2cr9 s TYR 60 N 1.83 3.17 0.01 -3.49 5.04 -0.27 -3.52 117.35 120.12 2cr9 s TYR 60 Ca -0.07 -1.75 -0.11 0.00 -2.44 0.00 0.00 57.07 52.71 2cr9 s TYR 60 Cb -0.10 -2.07 -0.05 0.00 0.35 0.00 0.00 41.96 40.09 2cr9 s TYR 60 CO -0.13 -0.77 0.34 0.15 -1.34 0.00 0.00 175.55 173.80 2cr9 s LYS 61 N 1.28 3.75 -0.04 4.97 -0.14 -0.75 0.17 119.74 128.98 2cr9 s LYS 61 Ca -0.03 0.19 0.04 0.00 -1.36 0.00 0.00 55.97 54.81 2cr9 s LYS 61 Cb -0.18 -3.13 -0.00 0.00 -1.68 0.00 0.00 37.83 32.83 2cr9 s LYS 61 CO -0.03 0.66 -0.16 -0.51 -0.76 0.00 0.00 175.35 174.55 2cr9 s LEU 62 N -1.41 1.91 -0.28 3.17 1.43 0.20 -2.21 118.68 121.48 2cr9 s LEU 62 Ca 0.26 -0.33 -0.14 0.00 -1.03 0.00 0.00 54.13 52.88 2cr9 s LEU 62 Cb -0.15 -0.91 0.09 0.00 0.03 0.00 0.00 46.19 45.25 2cr9 s LEU 62 CO 0.14 0.15 0.66 -1.10 0.23 0.00 0.00 176.35 176.42 2cr9 s GLN 63 N 0.03 0.66 -0.42 1.70 -0.21 -1.09 -1.90 119.66 118.43 2cr9 s GLN 63 Ca -0.03 1.24 -0.04 0.00 0.02 0.00 0.00 55.36 56.55 2cr9 s GLN 63 Cb -0.11 0.27 0.11 0.00 1.00 0.00 0.00 33.01 34.28 2cr9 s GLN 63 CO 0.02 -0.16 0.23 -1.17 -2.12 0.00 0.00 175.29 172.08 2cr9 s LEU 64 N 1.87 5.30 0.19 2.90 0.20 -0.96 -1.91 118.68 126.28 2cr9 s LEU 64 Ca -0.09 -1.97 -0.30 0.00 0.69 0.00 0.00 54.13 52.46 2cr9 s LEU 64 Cb -0.07 -1.87 -0.08 0.00 -0.43 0.00 0.00 46.19 43.75 2cr9 s LEU 64 CO -0.19 -0.57 1.01 -0.76 -0.29 0.00 0.00 176.35 175.55 2cr9 s LEU 65 N 1.19 4.55 -0.07 -0.68 1.43 -1.09 0.19 118.68 124.21 2cr9 s LEU 65 Ca 0.07 1.98 0.03 0.00 -1.03 0.00 0.00 54.13 55.19 2cr9 s LEU 65 Cb -0.23 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.39 2cr9 s LEU 65 CO -0.03 -0.04 -0.17 -1.83 0.23 0.00 0.00 176.35 174.50 2cr9 s GLU 66 N -0.67 2.13 -0.03 1.70 -1.05 0.21 -1.82 118.70 119.17 2cr9 s GLU 66 Ca 0.45 -0.61 -0.30 0.00 -0.15 0.00 0.00 54.97 54.37 2cr9 s GLU 66 Cb -0.27 -1.72 -0.05 0.00 -0.44 0.00 0.00 34.13 31.66 2cr9 s GLU 66 CO 0.33 0.13 1.41 0.34 0.95 0.00 0.00 175.26 178.43 2cr9 s ASP 67 N 0.39 6.84 -0.01 0.83 -1.08 -0.99 -2.31 116.67 120.35 2cr9 s ASP 67 Ca -0.13 2.06 -0.20 0.00 -0.52 0.00 0.00 52.55 53.77 2cr9 s ASP 67 Cb -0.15 -2.55 -0.31 0.00 -1.46 0.00 0.00 42.92 38.45 2cr9 s ASP 67 CO 0.05 -0.75 0.97 -2.24 0.52 0.00 0.00 175.17 173.72 2cr9 h ASP 68 N 8.11 0.60 0.00 -0.34 2.03 -1.92 -3.41 116.42 121.50 2cr9 h ASP 68 Ca -0.36 -0.90 0.00 0.00 -0.73 0.00 0.00 57.03 55.03 2cr9 h ASP 68 Cb 1.17 -0.19 0.00 0.00 -0.83 0.00 0.00 39.33 39.48 2cr9 h ASP 68 CO 0.92 1.45 0.00 0.29 -1.03 0.00 0.00 179.24 180.87 2cr9 n LYS 69 N -4.03 0.00 0.00 4.15 5.02 -1.26 -4.94 118.16 117.09 2cr9 n LYS 69 Ca -0.14 0.24 0.00 0.00 -2.02 0.00 0.00 58.31 56.40 2cr9 n LYS 69 Cb 0.87 -0.84 0.00 0.00 -0.02 0.00 0.00 35.03 35.04 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 -1.23 0.28 -3.77 1.97 -0.58 -1.26 -5.03 120.64 111.00 2cr9 n GLU 70 Ca 0.00 0.00 -0.28 0.00 -0.42 0.00 0.00 57.16 56.46 2cr9 n GLU 70 Cb 0.00 0.00 -0.12 0.00 -0.57 0.00 0.00 31.44 30.75 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 -1.08 3.95 -0.17 1.62 2.47 -1.26 -4.55 114.94 115.92 2cr9 s ASN 71 Ca 0.00 -3.57 -0.06 0.00 0.42 0.00 0.00 52.86 49.65 2cr9 s ASN 71 Cb 0.00 -1.32 0.08 0.00 -1.45 0.00 0.00 41.25 38.56 2cr9 s ASN 71 CO 0.00 -0.12 0.36 -0.60 -3.72 0.00 0.00 177.10 173.01 2cr9 s ARG 72 N -0.95 0.25 0.10 0.43 3.52 -1.26 -4.93 118.95 116.11 2cr9 s ARG 72 Ca 0.26 0.92 0.04 0.00 -0.13 0.00 0.00 55.73 56.82 2cr9 s ARG 72 Cb -0.05 0.18 -0.04 0.00 -1.56 0.00 0.00 34.95 33.49 2cr9 s ARG 72 CO -0.16 -0.26 0.06 0.71 -0.81 0.00 0.00 175.30 174.84 2cr9 s TYR 73 N 2.52 3.11 0.16 5.12 1.51 -1.25 -2.34 117.35 126.18 2cr9 s TYR 73 Ca -0.01 0.03 0.10 0.00 -1.01 0.00 0.00 57.07 56.18 2cr9 s TYR 73 Cb -0.12 -1.57 -0.04 0.00 -0.11 0.00 0.00 41.96 40.12 2cr9 s TYR 73 CO -0.11 0.51 -0.22 -1.58 -1.11 0.00 0.00 175.55 173.04 2cr9 s TRP 74 N -1.42 2.03 -0.42 2.71 0.51 -0.76 0.16 118.94 121.76 2cr9 s TRP 74 Ca 0.28 -0.41 -0.01 0.00 -2.12 0.00 0.00 56.10 53.84 2cr9 s TRP 74 Cb -0.12 -1.03 0.11 0.00 -0.81 0.00 0.00 33.47 31.62 2cr9 s TRP 74 CO 0.21 0.37 0.20 0.42 -0.51 0.00 0.00 176.95 177.64 2cr9 s ILE 75 N -1.67 3.11 -0.23 2.03 -1.09 0.30 -2.68 121.20 120.97 2cr9 s ILE 75 Ca 0.16 -2.26 -0.20 0.00 -2.23 0.00 0.00 60.65 56.12 2cr9 s ILE 75 Cb -0.08 -3.15 -0.02 0.00 -1.58 0.00 0.00 42.46 37.64 2cr9 s ILE 75 CO 0.07 -0.70 0.61 0.12 -1.23 0.00 0.00 174.94 173.82 2cr9 s PHE 76 N 0.91 3.32 -0.16 3.97 5.36 -0.80 -3.04 117.98 127.54 2cr9 s PHE 76 Ca 0.10 0.84 -0.01 0.00 -0.96 0.00 0.00 56.93 56.89 2cr9 s PHE 76 Cb -0.22 -2.80 0.05 0.00 -0.34 0.00 0.00 43.02 39.71 2cr9 s PHE 76 CO -0.05 -0.25 -0.02 1.03 -1.46 0.00 0.00 175.22 174.48 2cr9 s ARG 77 N 2.21 1.05 0.06 10.12 0.52 -0.62 -2.67 118.95 129.61 2cr9 s ARG 77 Ca 0.26 -0.40 0.02 0.00 -0.52 0.00 0.00 55.73 55.10 2cr9 s ARG 77 Cb -0.16 -1.88 -0.04 0.00 0.52 0.00 0.00 34.95 33.40 2cr9 s ARG 77 CO 0.09 -0.48 0.06 -1.54 0.02 0.00 0.00 175.30 173.45 2cr9 s SER 78 N 1.75 5.46 0.21 0.23 1.04 -0.94 -0.52 113.70 120.93 2cr9 s SER 78 Ca 0.01 0.00 -0.19 0.00 0.48 0.00 0.00 55.95 56.25 2cr9 s SER 78 Cb -0.15 -1.46 0.03 0.00 0.10 0.00 0.00 66.02 64.53 2cr9 s SER 78 CO -0.07 0.20 0.57 -1.66 0.98 0.00 0.00 173.24 173.26 2cr9 s TRP 79 N -1.31 -0.16 0.00 5.02 -2.14 0.03 -1.80 118.94 118.58 2cr9 s TRP 79 Ca 0.27 -0.19 0.00 0.00 2.66 0.00 0.00 56.10 58.84 2cr9 s TRP 79 Cb -0.12 0.47 0.00 0.00 -3.10 0.00 0.00 33.47 30.72 2cr9 s TRP 79 CO 0.19 -0.98 0.00 0.41 -2.66 0.00 0.00 176.95 173.90 2cr9 n GLY 80 N -0.38 3.71 3.44 3.67 0.00 -1.23 -1.10 105.19 113.31 2cr9 n GLY 80 Ca -0.09 -1.65 -0.31 0.00 0.00 0.00 0.00 46.02 43.97 2cr9 n GLY 80 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2cr9 s ARG 81 N -2.46 -2.31 -0.04 1.61 3.00 -0.46 -1.87 118.95 116.42 2cr9 s ARG 81 Ca 0.00 -0.10 -0.08 0.00 0.00 0.00 0.00 55.73 55.56 2cr9 s ARG 81 Cb 0.00 -1.47 -0.03 0.00 0.00 0.00 0.00 34.95 33.45 2cr9 s ARG 81 CO 0.00 -4.42 -0.15 0.28 0.00 0.00 0.00 175.30 171.01 2cr9 n VAL 82 N -5.26 1.07 0.26 3.52 0.31 0.40 -4.63 118.33 114.01 2cr9 n VAL 82 Ca 0.15 0.27 0.03 0.00 -0.01 0.00 0.00 64.34 64.77 2cr9 n VAL 82 Cb 0.60 -1.84 0.17 0.00 -0.91 0.00 0.00 33.84 31.87 2cr9 n VAL 82 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2cr9 n GLY 83 N 2.41 1.99 3.43 2.92 0.00 -1.26 -4.86 105.19 109.81 2cr9 n GLY 83 Ca -0.06 -0.39 -0.30 0.00 0.00 0.00 0.00 46.02 45.27 2cr9 n GLY 83 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2cr9 n THR 84 N 0.28 0.00 0.03 2.61 -1.04 -1.26 -5.06 114.28 109.84 2cr9 n THR 84 Ca 0.12 -2.30 -0.15 0.00 -2.04 0.00 0.00 64.05 59.68 2cr9 n THR 84 Cb 0.62 0.53 -0.14 0.00 -1.82 0.00 0.00 70.33 69.53 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 1.33 1.02 -1.02 12.58 -1.51 -1.92 -3.46 116.25 123.27 2cr9 h VAL 85 Ca -0.38 -2.73 -0.86 0.00 -1.23 0.00 0.00 66.70 61.50 2cr9 h VAL 85 Cb 1.21 2.64 0.01 0.00 -2.13 0.00 0.00 31.29 33.02 2cr9 h VAL 85 CO 0.63 0.76 0.75 -0.38 -1.23 0.00 0.00 177.57 178.10 2cr9 n ILE 86 N -3.35 0.04 -3.41 7.19 5.41 -1.26 -4.88 119.36 119.10 2cr9 n ILE 86 Ca -0.18 -0.01 0.01 0.00 1.00 0.00 0.00 62.75 63.57 2cr9 n ILE 86 Cb 1.04 -0.60 -0.04 0.00 -0.71 0.00 0.00 39.64 39.33 2cr9 n ILE 86 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 2cr9 s GLY 87 N 3.23 -0.22 0.16 7.39 0.00 -1.26 -1.35 107.32 115.27 2cr9 s GLY 87 Ca 1.05 3.00 -0.13 0.00 0.00 0.00 0.00 44.72 48.64 2cr9 s GLY 87 CO 0.79 3.24 0.39 -0.56 0.00 0.00 0.00 173.10 176.96 2cr9 s SER 88 N 2.48 -0.12 0.25 1.64 0.01 -0.26 -5.00 113.70 112.70 2cr9 s SER 88 Ca -0.03 -0.60 0.05 0.00 1.31 0.00 0.00 55.95 56.69 2cr9 s SER 88 Cb -0.06 0.49 -0.02 0.00 0.21 0.00 0.00 66.02 66.64 2cr9 s SER 88 CO -0.18 -0.93 0.19 0.59 0.41 0.00 0.00 173.24 173.32 2cr9 n ASN 89 N -0.25 -0.22 -3.73 2.44 3.02 -1.26 -0.79 115.26 114.47 2cr9 n ASN 89 Ca -0.11 -2.58 -0.13 0.00 -0.03 0.00 0.00 54.58 51.73 2cr9 n ASN 89 Cb 0.63 1.12 -0.10 0.00 -0.61 0.00 0.00 39.78 40.82 2cr9 n ASN 89 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2cr9 s LYS 90 N -3.00 0.52 -0.12 3.52 2.20 0.32 -4.95 119.74 118.23 2cr9 s LYS 90 Ca 0.26 0.46 -0.03 0.00 -0.36 0.00 0.00 55.97 56.30 2cr9 s LYS 90 Cb 0.01 0.25 0.04 0.00 -1.51 0.00 0.00 37.83 36.63 2cr9 s LYS 90 CO 0.19 -0.08 0.04 -1.17 -0.36 0.00 0.00 175.35 173.96 2cr9 s LEU 91 N -0.04 0.64 0.04 5.43 2.96 -1.26 -1.59 118.68 124.86 2cr9 s LEU 91 Ca -0.02 -0.36 0.08 0.00 -0.22 0.00 0.00 54.13 53.61 2cr9 s LEU 91 Cb -0.03 -0.40 -0.03 0.00 0.50 0.00 0.00 46.19 46.23 2cr9 s LEU 91 CO 0.01 -0.26 -0.22 -1.61 -1.32 0.00 0.00 176.35 172.95 2cr9 s GLU 92 N 2.00 1.49 -0.09 1.98 2.02 -1.17 -4.94 118.70 119.99 2cr9 s GLU 92 Ca 0.03 -0.98 -0.19 0.00 0.02 0.00 0.00 54.97 53.85 2cr9 s GLU 92 Cb -0.14 -1.62 -0.04 0.00 0.10 0.00 0.00 34.13 32.43 2cr9 s GLU 92 CO -0.06 0.41 0.52 -1.14 0.02 0.00 0.00 175.26 175.01 2cr9 s GLN 93 N -1.18 4.33 0.04 1.61 -0.44 -1.26 -0.54 119.66 122.22 2cr9 s GLN 93 Ca 0.08 0.55 -0.05 0.00 -2.50 0.00 0.00 55.36 53.44 2cr9 s GLN 93 Cb -0.09 -3.41 -0.05 0.00 -1.64 0.00 0.00 33.01 27.82 2cr9 s GLN 93 CO 0.02 0.21 0.26 -1.64 0.50 0.00 0.00 175.29 174.64 2cr9 s MET 94 N 0.44 3.54 -0.07 1.67 -1.94 0.43 -4.97 119.30 118.40 2cr9 s MET 94 Ca 0.28 -0.17 -0.21 0.00 -1.71 0.00 0.00 55.69 53.88 2cr9 s MET 94 Cb -0.16 -3.04 -0.17 0.00 2.01 0.00 0.00 34.83 33.48 2cr9 s MET 94 CO 0.12 0.62 0.79 -1.00 -0.01 0.00 0.00 175.02 175.54 2cr9 h PRO 95 N 3.62 -0.12 -5.85 2.03 0.13 -1.93 -3.32 132.00 126.56 2cr9 h PRO 95 Ca -0.48 0.01 -0.57 0.00 -0.87 0.00 0.00 66.00 64.08 2cr9 h PRO 95 Cb 1.18 0.03 -0.14 0.00 0.13 0.00 0.00 31.00 32.20 2cr9 h PRO 95 CO 0.69 0.40 -0.70 0.45 -0.23 0.00 0.00 178.00 178.62 2cr9 s SER 96 N -5.68 3.38 0.21 1.44 0.15 -1.26 -4.85 113.70 107.10 2cr9 s SER 96 Ca -0.13 -1.16 -0.10 0.00 0.70 0.00 0.00 55.95 55.26 2cr9 s SER 96 Cb -0.00 -0.28 0.22 0.00 -1.71 0.00 0.00 66.02 64.25 2cr9 s SER 96 CO 0.49 -0.20 1.81 0.50 1.20 0.00 0.00 173.24 177.05 2cr9 h LYS 97 N 2.16 0.68 0.67 5.44 3.64 -1.93 -2.31 116.57 124.92 2cr9 h LYS 97 Ca -0.41 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 58.90 2cr9 h LYS 97 Cb 1.25 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.91 2cr9 h LYS 97 CO 0.67 0.45 -0.41 0.93 -2.27 0.00 0.00 179.45 178.82 2cr9 h GLU 98 N 0.70 -0.97 -1.50 1.90 5.08 -1.98 0.12 114.58 117.93 2cr9 h GLU 98 Ca 0.29 0.07 0.43 0.00 -1.00 0.00 0.00 59.36 59.15 2cr9 h GLU 98 Cb 0.15 0.22 -0.06 0.00 0.50 0.00 0.00 28.75 29.56 2cr9 h GLU 98 CO -0.17 -0.65 1.22 -0.44 -1.00 0.00 0.00 179.01 177.97 2cr9 h ASP 99 N -1.01 0.00 0.03 1.42 5.19 -1.92 1.05 116.42 121.19 2cr9 h ASP 99 Ca -0.09 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.32 2cr9 h ASP 99 Cb 0.81 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.32 2cr9 h ASP 99 CO 0.10 0.00 -0.01 0.00 -3.12 0.00 0.00 179.24 176.20 2cr9 h ALA 100 N 0.97 -0.04 -0.50 3.45 0.00 -0.67 -2.84 119.26 119.63 2cr9 h ALA 100 Ca 0.71 -0.28 0.08 0.00 0.00 0.00 0.00 54.91 55.42 2cr9 h ALA 100 Cb 3.14 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 20.88 2cr9 h ALA 100 CO -0.01 -0.06 0.14 0.82 0.00 0.00 0.00 179.25 180.14 2cr9 h ILE 101 N -0.97 0.77 -0.43 0.00 2.04 0.34 0.13 117.51 119.40 2cr9 h ILE 101 Ca -0.00 -0.10 0.08 0.00 1.00 0.00 0.00 64.86 65.83 2cr9 h ILE 101 Cb 0.58 0.45 -0.07 0.00 -0.74 0.00 0.00 36.82 37.04 2cr9 h ILE 101 CO 0.01 0.05 0.02 -0.33 0.00 0.00 0.00 178.15 177.90 2cr9 h GLU 102 N 0.30 0.13 0.68 2.37 5.08 0.07 1.50 114.58 124.71 2cr9 h GLU 102 Ca 0.25 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.57 2cr9 h GLU 102 Cb 0.31 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.53 2cr9 h GLU 102 CO -0.29 0.08 -0.34 1.25 -1.00 0.00 0.00 179.01 178.71 2cr9 h HIS 103 N 0.13 -0.89 -0.04 4.33 2.76 -0.98 0.74 115.15 121.21 2cr9 h HIS 103 Ca 0.21 -0.02 0.01 0.00 -2.20 0.00 0.00 60.37 58.37 2cr9 h HIS 103 Cb 0.30 0.30 -0.00 0.00 1.55 0.00 0.00 27.41 29.55 2cr9 h HIS 103 CO -0.26 -0.55 0.03 0.35 -1.30 0.00 0.00 177.93 176.20 2cr9 h PHE 104 N -0.94 0.00 0.01 5.26 3.57 -0.32 1.61 116.94 126.14 2cr9 h PHE 104 Ca -0.09 0.00 -0.19 0.00 3.53 0.00 0.00 57.97 61.22 2cr9 h PHE 104 Cb 0.72 0.00 0.02 0.00 2.79 0.00 0.00 35.95 39.48 2cr9 h PHE 104 CO -0.04 0.00 -0.75 0.52 -2.23 0.00 0.00 178.31 175.81 2cr9 h MET 105 N 0.00 0.49 0.01 1.11 2.86 0.27 -2.81 114.93 116.87 2cr9 h MET 105 Ca 0.02 -0.54 -0.05 0.00 -2.06 0.00 0.00 59.70 57.06 2cr9 h MET 105 Cb 0.08 0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.90 2cr9 h MET 105 CO -0.00 1.18 -0.22 -0.22 1.06 0.00 0.00 176.91 178.71 2cr9 h LYS 106 N 0.02 0.13 -0.46 1.72 3.64 0.12 -3.18 116.57 118.55 2cr9 h LYS 106 Ca -0.10 -0.15 0.07 0.00 -1.27 0.00 0.00 60.65 59.20 2cr9 h LYS 106 Cb 1.45 0.05 -0.09 0.00 -0.41 0.00 0.00 32.23 33.23 2cr9 h LYS 106 CO 0.15 0.95 -0.45 -0.07 -2.27 0.00 0.00 179.45 177.75 2cr9 h LEU 107 N -0.63 -1.51 -1.94 5.20 -0.00 0.22 1.63 115.31 118.28 2cr9 h LEU 107 Ca -0.03 0.23 0.00 0.00 -0.00 0.00 0.00 57.88 58.08 2cr9 h LEU 107 Cb 1.03 0.66 0.00 0.00 -0.00 0.00 0.00 40.66 42.36 2cr9 h LEU 107 CO 0.04 -0.36 0.21 0.22 -0.00 0.00 0.00 178.44 178.55 2cr9 h TYR 108 N -0.31 0.00 0.00 1.13 3.20 -1.60 0.76 116.97 120.15 2cr9 h TYR 108 Ca 0.14 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.01 2cr9 h TYR 108 Cb 0.58 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.85 2cr9 h TYR 108 CO -0.67 0.00 -1.51 -1.91 -1.64 0.00 0.00 178.16 172.43 2cr9 n GLU 109 N -2.69 0.60 0.21 1.82 2.13 0.49 -3.50 120.64 119.71 2cr9 n GLU 109 Ca -0.02 -0.05 0.07 0.00 0.66 0.00 0.00 57.16 57.82 2cr9 n GLU 109 Cb 0.26 -1.65 0.47 0.00 0.27 0.00 0.00 31.44 30.78 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 0.65 0.55 114.58 125.20 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 0.98 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.23 2cr9 h GLU 110 CO 0.00 0.29 0.00 1.63 0.07 0.00 0.00 179.01 181.00 2cr9 n LYS 111 N -3.77 0.00 -0.22 1.06 4.76 -1.12 -4.44 118.16 114.42 2cr9 n LYS 111 Ca -0.01 0.15 0.12 0.00 -2.87 0.00 0.00 58.31 55.70 2cr9 n LYS 111 Cb 0.38 -0.55 0.42 0.00 -1.84 0.00 0.00 35.03 33.45 2cr9 n LYS 111 CO 0.00 0.00 0.00 1.79 -1.37 0.00 0.00 177.40 177.82 2cr9 h THR 112 N 0.00 0.85 0.00 -0.18 1.35 -1.65 -3.09 112.91 110.18 2cr9 h THR 112 Ca 0.00 -0.21 0.00 0.00 -0.55 0.00 0.00 66.41 65.65 2cr9 h THR 112 Cb 0.00 0.19 0.00 0.00 -1.73 0.00 0.00 68.15 66.61 2cr9 h THR 112 CO 0.00 0.11 0.00 0.61 -0.25 0.00 0.00 175.52 175.99 2cr9 n GLY 113 N -1.47 1.59 3.94 5.82 0.00 0.19 -4.54 105.19 110.72 2cr9 n GLY 113 Ca 0.15 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.89 5.80 0.60 1.61 0.01 -1.23 -4.88 114.94 114.96 2cr9 s ASN 114 Ca 0.00 -0.24 -0.15 0.00 -0.71 0.00 0.00 52.86 51.76 2cr9 s ASN 114 Cb 0.00 -1.28 -0.03 0.00 0.41 0.00 0.00 41.25 40.35 2cr9 s ASN 114 CO 0.00 -0.32 1.06 0.00 -1.51 0.00 0.00 177.10 176.33 2cr9 s ALA 115 N -2.18 2.73 0.06 0.60 0.00 -1.26 -3.69 121.76 118.02 2cr9 s ALA 115 Ca 0.41 0.38 -0.30 0.00 0.00 0.00 0.00 51.96 52.45 2cr9 s ALA 115 Cb -0.08 -3.23 -0.18 0.00 0.00 0.00 0.00 23.12 19.63 2cr9 s ALA 115 CO 0.29 -0.85 1.57 2.35 0.00 0.00 0.00 175.76 179.12 2cr9 h TRP 116 N 0.36 -0.65 -2.24 0.00 2.91 -1.90 -3.09 115.95 111.35 2cr9 h TRP 116 Ca -0.47 -0.02 -0.80 0.00 1.13 0.00 0.00 58.89 58.74 2cr9 h TRP 116 Cb 1.22 0.22 -0.27 0.00 -0.51 0.00 0.00 29.16 29.81 2cr9 h TRP 116 CO 0.59 -0.38 0.99 0.72 -1.03 0.00 0.00 178.44 179.33 2cr9 n HIS 117 N -5.37 2.82 -1.59 2.65 8.25 -1.26 -4.95 115.22 115.76 2cr9 n HIS 117 Ca -0.12 -2.59 0.00 0.00 -0.26 0.00 0.00 57.72 54.75 2cr9 n HIS 117 Cb 0.30 -1.18 0.00 0.00 1.12 0.00 0.00 29.99 30.23 2cr9 n HIS 117 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 2cr9 n SER 118 N -0.09 0.00 -3.85 0.41 3.41 -1.17 -5.10 113.62 107.23 2cr9 n SER 118 Ca 0.47 0.00 -0.19 0.00 -0.26 0.00 0.00 58.87 58.89 2cr9 n SER 118 Cb 0.26 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.05 2cr9 n SER 118 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2cr9 s LYS 119 N 3.06 0.60 0.41 4.33 -0.14 -1.26 -4.90 119.74 121.83 2cr9 s LYS 119 Ca 0.00 -0.01 0.00 0.00 -1.36 0.00 0.00 55.97 54.60 2cr9 s LYS 119 Cb 0.00 -0.71 0.00 0.00 -1.68 0.00 0.00 37.83 35.44 2cr9 s LYS 119 CO 0.00 -0.13 0.00 0.09 -0.76 0.00 0.00 175.35 174.55 2cr9 n ASN 120 N 4.21 -8.83 -4.34 2.83 4.13 -1.26 -4.92 115.26 107.08 2cr9 n ASN 120 Ca -0.23 1.25 -0.36 0.00 1.68 0.00 0.00 54.58 56.91 2cr9 n ASN 120 Cb 0.51 -4.67 -0.13 0.00 -1.54 0.00 0.00 39.78 33.95 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 -2.39 3.09 -0.33 3.10 5.36 -1.26 -5.05 117.98 120.50 2cr9 s PHE 121 Ca 0.00 -0.93 -0.14 0.00 -0.96 0.00 0.00 56.93 54.90 2cr9 s PHE 121 Cb 0.00 -2.20 -0.02 0.00 -0.34 0.00 0.00 43.02 40.46 2cr9 s PHE 121 CO 0.00 -0.55 0.31 0.99 -1.46 0.00 0.00 175.22 174.51 2cr9 s THR 122 N 1.50 5.22 -0.81 0.12 2.01 -1.26 -5.00 115.64 117.41 2cr9 s THR 122 Ca 0.04 0.01 -0.25 0.00 0.31 0.00 0.00 61.69 61.79 2cr9 s THR 122 Cb -0.16 -3.76 -0.04 0.00 0.01 0.00 0.00 72.50 68.55 2cr9 s THR 122 CO 0.01 -0.02 1.92 -0.75 -0.69 0.00 0.00 174.62 175.08 2cr9 s LYS 123 N 1.91 2.58 0.68 4.92 2.36 -1.26 -4.95 119.74 125.98 2cr9 s LYS 123 Ca 0.10 0.01 -0.07 0.00 -2.55 0.00 0.00 55.97 53.45 2cr9 s LYS 123 Cb -0.17 -4.84 0.04 0.00 -1.05 0.00 0.00 37.83 31.82 2cr9 s LYS 123 CO 0.11 -3.16 1.00 0.71 1.55 0.00 0.00 175.35 175.56 2cr9 s TYR 124 N 9.74 3.07 -0.10 4.03 2.02 -1.26 -5.02 117.35 129.82 2cr9 s TYR 124 Ca 0.69 0.59 -0.30 0.00 -0.37 0.00 0.00 57.07 57.69 2cr9 s TYR 124 Cb -0.09 -3.06 -0.03 0.00 -0.40 0.00 0.00 41.96 38.39 2cr9 s TYR 124 CO 0.06 -1.23 1.24 -1.25 -1.57 0.00 0.00 175.55 172.80 2cr9 s PRO 125 N -5.20 4.30 0.00 -1.71 0.04 -1.26 -3.28 135.00 127.88 2cr9 s PRO 125 Ca 0.58 1.69 0.00 0.00 0.04 0.00 0.00 61.00 63.31 2cr9 s PRO 125 Cb -0.11 -3.65 0.00 0.00 0.04 0.00 0.00 34.50 30.78 2cr9 s PRO 125 CO 0.46 -0.57 0.00 1.63 0.04 0.00 0.00 177.00 178.56 2cr9 n LYS 126 N 5.83 0.00 -1.54 4.56 5.02 -1.26 -4.97 118.16 125.80 2cr9 n LYS 126 Ca 0.12 0.00 -0.47 0.00 -2.02 0.00 0.00 58.31 55.94 2cr9 n LYS 126 Cb 0.45 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.44 2cr9 n LYS 126 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2cr9 n LYS 127 N 0.00 0.95 -2.03 1.97 4.76 -1.20 -4.93 118.16 117.67 2cr9 n LYS 127 Ca 0.00 0.33 -0.29 0.00 -2.87 0.00 0.00 58.31 55.48 2cr9 n LYS 127 Cb 0.00 -1.67 0.04 0.00 -1.84 0.00 0.00 35.03 31.56 2cr9 n LYS 127 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 2cr9 s PHE 128 N -0.72 3.31 0.11 2.13 0.40 -1.17 -4.70 117.98 117.34 2cr9 s PHE 128 Ca 0.66 0.93 -0.02 0.00 -0.60 0.00 0.00 56.93 57.90 2cr9 s PHE 128 Cb -0.82 -2.97 -0.03 0.00 0.51 0.00 0.00 43.02 39.70 2cr9 s PHE 128 CO 0.56 -1.08 0.07 1.52 0.70 0.00 0.00 175.22 176.99 2cr9 s TYR 129 N -3.25 0.68 -0.33 0.36 -0.85 -1.21 -3.79 117.35 108.95 2cr9 s TYR 129 Ca 0.57 -1.10 -0.29 0.00 -0.52 0.00 0.00 57.07 55.73 2cr9 s TYR 129 Cb -0.11 -0.39 0.00 0.00 0.38 0.00 0.00 41.96 41.85 2cr9 s TYR 129 CO 0.50 -0.51 1.37 -1.25 -1.52 0.00 0.00 175.55 174.14 2cr9 s PRO 130 N -3.99 3.78 0.00 -3.49 0.04 -1.26 -0.84 135.00 129.23 2cr9 s PRO 130 Ca 0.18 1.17 0.00 0.00 0.04 0.00 0.00 61.00 62.39 2cr9 s PRO 130 Cb 0.07 -3.95 0.00 0.00 0.04 0.00 0.00 34.50 30.66 2cr9 s PRO 130 CO -0.02 -1.30 0.73 1.28 0.04 0.00 0.00 177.00 177.72 2cr9 n LEU 131 N 8.14 0.03 -4.55 -3.56 4.77 -0.46 -4.23 117.00 117.13 2cr9 n LEU 131 Ca 0.16 0.73 -0.40 0.00 -0.03 0.00 0.00 56.01 56.47 2cr9 n LEU 131 Cb 0.47 -0.24 -0.03 0.00 -2.33 0.00 0.00 43.42 41.29 2cr9 n LEU 131 CO 0.66 -0.24 1.32 -0.70 -1.33 0.00 0.00 177.39 177.10 2cr9 s GLU 132 N -1.93 3.19 0.26 3.23 2.12 -1.26 -4.97 118.70 119.33 2cr9 s GLU 132 Ca 0.00 -0.39 -0.30 0.00 0.36 0.00 0.00 54.97 54.64 2cr9 s GLU 132 Cb 0.00 -4.60 -0.10 0.00 0.26 0.00 0.00 34.13 29.69 2cr9 s GLU 132 CO 0.00 -2.32 1.50 0.42 -0.54 0.00 0.00 175.26 174.32 2cr9 s ILE 133 N 6.23 2.47 -0.30 -3.70 -1.09 -1.26 -4.94 121.20 118.61 2cr9 s ILE 133 Ca 0.44 0.39 -0.14 0.00 -2.23 0.00 0.00 60.65 59.11 2cr9 s ILE 133 Cb -0.06 -3.25 0.18 0.00 -1.58 0.00 0.00 42.46 37.75 2cr9 s ILE 133 CO 0.08 0.06 1.12 -0.55 -1.23 0.00 0.00 174.94 174.42 2cr9 s SER 134 N 0.46 -0.24 0.00 3.58 0.15 -1.26 -5.17 113.70 111.22 2cr9 s SER 134 Ca 0.61 0.05 0.00 0.00 0.70 0.00 0.00 55.95 57.32 2cr9 s SER 134 Cb -0.44 1.16 0.00 0.00 -1.71 0.00 0.00 66.02 65.04 2cr9 s SER 134 CO 0.44 -0.04 0.00 0.61 1.20 0.00 0.00 173.24 175.44 2cr9 n GLY 135 N 5.17 2.93 2.91 9.45 0.00 -1.26 -5.14 105.19 119.25 2cr9 n GLY 135 Ca 0.06 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.32 -1.84 -4.29 1.61 -0.04 -1.26 -5.10 135.00 123.76 2cr9 n PRO 136 Ca 0.00 -1.50 -0.18 0.00 -0.04 0.00 0.00 63.50 61.78 2cr9 n PRO 136 Cb 0.00 -1.18 -0.11 0.00 -0.04 0.00 0.00 33.50 32.17 2cr9 n PRO 136 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2cr9 s SER 137 N -4.35 2.26 0.19 3.54 1.04 -1.26 -5.01 113.70 110.11 2cr9 s SER 137 Ca 0.58 -0.93 0.00 0.00 0.48 0.00 0.00 55.95 56.08 2cr9 s SER 137 Cb -0.03 -0.09 0.00 0.00 0.10 0.00 0.00 66.02 65.99 2cr9 s SER 137 CO 0.42 -0.17 0.00 -0.24 0.98 0.00 0.00 173.24 174.23 2cr9 n SER 138 N 0.04 -1.71 0.00 7.02 2.88 -1.26 -5.29 113.62 115.30 2cr9 n SER 138 Ca -0.11 0.66 0.00 0.00 -1.33 0.00 0.00 58.87 58.08 2cr9 n SER 138 Cb 0.59 1.87 0.00 0.00 -0.75 0.00 0.00 64.21 65.92 2cr9 n SER 138 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42