#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2grj s HIS -1 N 0.00 3.62 0.00 4.41 0.00 -1.26 -4.89 115.29 117.17 2grj s HIS -1 Ca 0.00 1.41 0.00 0.00 -3.00 0.00 0.00 55.06 53.47 2grj s HIS -1 Cb 0.00 -2.90 0.00 0.00 -4.00 0.00 0.00 32.58 25.68 2grj s HIS -1 CO 0.00 0.08 0.00 -2.39 -1.00 0.00 0.00 174.74 171.43 2grj n HIS 0 N 3.72 0.00 -3.51 0.38 -0.00 -1.26 -2.06 115.22 112.50 2grj n HIS 0 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.73 2grj n HIS 0 Cb 0.51 0.00 -0.04 0.00 -0.00 0.00 0.00 29.99 30.46 2grj n HIS 0 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 2grj s VAL 2 N 0.34 -0.62 -0.18 0.61 1.01 -1.26 -4.91 120.40 115.39 2grj s VAL 2 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61.98 61.98 2grj s VAL 2 Cb 0.00 -1.00 0.01 0.00 0.00 0.00 0.00 36.38 35.39 2grj s VAL 2 CO 0.00 0.00 -0.16 -0.63 0.00 0.00 0.00 175.10 174.31 2grj s ILE 3 N 2.51 2.42 0.12 2.22 1.01 -0.19 0.26 121.20 129.55 2grj s ILE 3 Ca -0.04 -0.83 -0.25 0.00 0.00 0.00 0.00 60.65 59.53 2grj s ILE 3 Cb -0.08 -2.03 -0.07 0.00 0.01 0.00 0.00 42.46 40.29 2grj s ILE 3 CO -0.18 0.52 0.77 -0.83 0.00 0.00 0.00 174.94 175.22 2grj s GLY 4 N 1.15 2.87 -0.25 6.18 0.00 -0.04 -0.97 107.32 116.28 2grj s GLY 4 Ca 0.01 0.33 0.02 0.00 0.00 0.00 0.00 44.72 45.08 2grj s GLY 4 CO -0.07 0.95 -0.08 0.14 0.00 0.00 0.00 173.10 174.04 2grj s VAL 5 N -0.75 1.82 0.32 1.40 1.01 -0.15 -0.11 120.40 123.95 2grj s VAL 5 Ca 0.37 -1.42 0.01 0.00 0.00 0.00 0.00 61.98 60.94 2grj s VAL 5 Cb -0.22 -2.02 -0.00 0.00 0.00 0.00 0.00 36.38 34.13 2grj s VAL 5 CO 0.25 -0.08 0.05 1.07 0.00 0.00 0.00 175.10 176.39 2grj n THR 6 N 4.56 0.00 0.00 3.92 5.66 -0.01 -1.64 114.28 126.77 2grj n THR 6 Ca -0.13 -1.67 0.00 0.00 -3.05 0.00 0.00 64.05 59.20 2grj n THR 6 Cb 0.43 0.46 0.00 0.00 -1.55 0.00 0.00 70.33 69.67 2grj n THR 6 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2grj n GLY 7 N 0.48 3.94 3.69 1.09 0.00 -1.26 -0.92 105.19 112.20 2grj n GLY 7 Ca -0.10 -1.65 -0.30 0.00 0.00 0.00 0.00 46.02 43.97 2grj n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2grj s LYS 8 N -2.79 1.19 0.26 1.61 1.02 -1.26 -4.39 119.74 115.38 2grj s LYS 8 Ca 0.00 1.14 -0.30 0.00 0.02 0.00 0.00 55.97 56.83 2grj s LYS 8 Cb 0.00 -1.78 -0.14 0.00 -0.52 0.00 0.00 37.83 35.40 2grj s LYS 8 CO 0.00 -2.38 1.25 1.51 -0.92 0.00 0.00 175.35 174.81 2grj n ILE 9 N -4.02 1.41 -0.93 2.17 3.06 -1.26 -2.86 119.36 116.93 2grj n ILE 9 Ca 0.09 -0.35 0.00 0.00 -2.50 0.00 0.00 62.75 59.98 2grj n ILE 9 Cb 0.54 -1.28 0.00 0.00 0.54 0.00 0.00 39.64 39.43 2grj n ILE 9 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 2grj n GLY 10 N 1.61 0.80 0.14 4.50 0.00 -1.26 -4.90 105.19 106.08 2grj n GLY 10 Ca 0.10 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.00 2grj n GLY 10 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2grj h THR 11 N 0.00 1.45 0.00 2.61 1.35 -1.87 -3.43 112.91 113.03 2grj h THR 11 Ca 0.00 -2.60 0.00 0.00 -0.55 0.00 0.00 66.41 63.26 2grj h THR 11 Cb 0.02 2.51 0.00 0.00 -1.73 0.00 0.00 68.15 68.94 2grj h THR 11 CO 0.00 0.77 0.00 0.61 -0.25 0.00 0.00 175.52 176.65 2grj n GLY 12 N 1.00 0.01 0.31 5.82 0.00 -1.26 -4.69 105.19 106.38 2grj n GLY 12 Ca -0.06 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.85 2grj n GLY 12 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2grj h LYS 13 N 0.00 -0.38 -1.00 1.61 1.57 -1.89 0.20 116.57 116.69 2grj h LYS 13 Ca 0.00 0.03 0.12 0.00 -1.87 0.00 0.00 60.65 58.93 2grj h LYS 13 Cb 0.00 0.09 -0.08 0.00 0.08 0.00 0.00 32.23 32.31 2grj h LYS 13 CO 0.00 -0.25 0.63 0.77 -0.57 0.00 0.00 179.45 180.03 2grj h SER 14 N -0.39 0.91 -0.08 0.86 0.02 -1.97 0.32 113.55 113.22 2grj h SER 14 Ca 0.08 0.05 -0.05 0.00 -0.84 0.00 0.00 61.79 61.03 2grj h SER 14 Cb 0.51 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.91 2grj h SER 14 CO -0.29 0.49 -0.15 0.74 -1.14 0.00 0.00 176.83 176.48 2grj h THR 15 N 0.98 1.41 -0.26 -2.27 2.02 -1.78 0.11 112.91 113.12 2grj h THR 15 Ca 0.49 -1.44 0.04 0.00 0.77 0.00 0.00 66.41 66.27 2grj h THR 15 Cb 0.49 2.17 -0.04 0.00 -1.74 0.00 0.00 68.15 69.03 2grj h THR 15 CO -0.26 0.41 0.03 0.58 0.37 0.00 0.00 175.52 176.65 2grj h VAL 16 N -0.24 0.85 -0.60 3.16 2.07 -0.22 -2.27 116.25 119.01 2grj h VAL 16 Ca 0.00 -0.04 -0.04 0.00 0.82 0.00 0.00 66.70 67.45 2grj h VAL 16 Cb 0.73 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 31.19 2grj h VAL 16 CO 0.03 0.02 0.23 0.00 0.02 0.00 0.00 177.57 177.87 2grj h GLU 18 N 0.87 1.17 0.13 0.00 4.39 -0.54 0.59 114.58 121.18 2grj h GLU 18 Ca 0.20 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.83 2grj h GLU 18 Cb 0.19 -0.26 0.00 0.00 -0.10 0.00 0.00 28.75 28.58 2grj h GLU 18 CO -0.02 0.77 -0.06 0.82 -1.16 0.00 0.00 179.01 179.37 2grj h ILE 19 N 1.20 0.95 -1.01 3.13 2.04 -0.72 -0.21 117.51 122.89 2grj h ILE 19 Ca 0.35 -0.29 0.11 0.00 1.00 0.00 0.00 64.86 66.02 2grj h ILE 19 Cb -0.08 1.13 -0.08 0.00 -0.74 0.00 0.00 36.82 37.06 2grj h ILE 19 CO -0.09 0.07 0.64 -0.07 0.00 0.00 0.00 178.15 178.70 2grj h LEU 20 N -0.30 0.96 -0.13 1.44 3.38 -0.91 0.21 115.31 119.96 2grj h LEU 20 Ca -0.02 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 2grj h LEU 20 Cb 0.25 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 2grj h LEU 20 CO 0.03 0.54 -0.05 0.50 0.09 0.00 0.00 178.44 179.55 2grj h LYS 21 N 1.05 0.26 0.21 1.13 3.64 -0.66 -1.16 116.57 121.04 2grj h LYS 21 Ca 0.48 -0.11 -0.32 0.00 -1.27 0.00 0.00 60.65 59.43 2grj h LYS 21 Cb 0.40 -0.01 0.03 0.00 -0.41 0.00 0.00 32.23 32.24 2grj h LYS 21 CO -0.24 0.59 -1.40 -0.91 -2.27 0.00 0.00 179.45 175.22 2grj h ASN 22 N -0.08 0.80 0.12 4.20 2.35 -0.59 -2.74 115.58 119.64 2grj h ASN 22 Ca 0.03 -0.82 -0.35 0.00 -0.55 0.00 0.00 56.30 54.61 2grj h ASN 22 Cb 0.50 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.60 2grj h ASN 22 CO 0.02 1.64 -1.90 0.11 -1.65 0.00 0.00 177.43 175.65 2grj h LYS 23 N 0.17 0.26 -0.09 0.81 1.79 -0.72 -3.41 116.57 115.38 2grj h LYS 23 Ca -0.22 -0.44 0.00 0.00 -2.18 0.00 0.00 60.65 57.81 2grj h LYS 23 Cb 2.09 0.16 0.00 0.00 -1.58 0.00 0.00 32.23 32.90 2grj h LYS 23 CO 0.26 1.21 0.00 0.66 -1.08 0.00 0.00 179.45 180.50 2grj n TYR 24 N -3.59 0.10 -1.09 -1.35 4.02 -0.59 -4.99 117.16 109.67 2grj n TYR 24 Ca -0.31 -0.10 -0.03 0.00 -0.01 0.00 0.00 57.90 57.44 2grj n TYR 24 Cb 1.01 -0.01 -0.01 0.00 -0.02 0.00 0.00 39.34 40.32 2grj n TYR 24 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2grj n GLY 25 N 0.66 0.63 3.77 2.72 0.00 -0.74 -4.93 105.19 107.29 2grj n GLY 25 Ca 0.08 -0.59 -0.41 0.00 0.00 0.00 0.00 46.02 45.10 2grj n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2grj s ALA 26 N -2.05 3.45 -0.35 4.61 0.00 -0.54 -4.74 121.76 122.13 2grj s ALA 26 Ca 0.00 1.56 -0.24 0.00 0.00 0.00 0.00 51.96 53.28 2grj s ALA 26 Cb 0.00 -3.61 0.01 0.00 0.00 0.00 0.00 23.12 19.52 2grj s ALA 26 CO 0.00 -1.14 0.80 -1.58 0.00 0.00 0.00 175.76 173.84 2grj s HIS 27 N -1.15 3.13 -0.27 0.00 2.46 0.04 -4.43 115.29 115.06 2grj s HIS 27 Ca 0.56 0.64 -0.17 0.00 0.47 0.00 0.00 55.06 56.56 2grj s HIS 27 Cb -0.46 -3.40 -0.03 0.00 -0.13 0.00 0.00 32.58 28.56 2grj s HIS 27 CO 0.61 -0.71 0.46 0.08 -2.47 0.00 0.00 174.74 172.71 2grj s VAL 28 N 3.12 5.11 -0.59 0.89 1.01 -1.26 -0.51 120.40 128.17 2grj s VAL 28 Ca 0.32 0.71 -0.21 0.00 0.00 0.00 0.00 61.98 62.81 2grj s VAL 28 Cb -0.13 -3.78 0.08 0.00 0.00 0.00 0.00 36.38 32.54 2grj s VAL 28 CO 0.16 0.09 0.79 -0.69 0.00 0.00 0.00 175.10 175.46 2grj s VAL 29 N 2.22 4.63 -0.76 2.92 1.01 0.81 -4.96 120.40 126.28 2grj s VAL 29 Ca 0.18 -0.56 -0.27 0.00 0.00 0.00 0.00 61.98 61.34 2grj s VAL 29 Cb -0.16 -4.52 0.03 0.00 0.00 0.00 0.00 36.38 31.73 2grj s VAL 29 CO 0.10 -1.16 1.35 0.21 0.00 0.00 0.00 175.10 175.59 2grj s ASN 30 N 3.37 6.11 0.38 3.32 3.84 -1.26 -1.00 114.94 129.69 2grj s ASN 30 Ca 0.17 -0.48 0.10 0.00 0.21 0.00 0.00 52.86 52.86 2grj s ASN 30 Cb -0.20 -2.56 0.74 0.00 -0.55 0.00 0.00 41.25 38.69 2grj s ASN 30 CO 0.10 -1.86 1.88 0.58 -2.79 0.00 0.00 177.10 175.01 2grj h VAL 31 N 6.18 1.21 -0.17 -5.21 2.07 -1.79 -2.56 116.25 115.98 2grj h VAL 31 Ca -0.23 -0.95 0.01 0.00 0.82 0.00 0.00 66.70 66.34 2grj h VAL 31 Cb 1.05 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 32.18 2grj h VAL 31 CO 1.29 0.29 0.07 0.44 0.02 0.00 0.00 177.57 179.68 2grj h ASP 32 N 0.17 0.11 -0.61 0.57 3.32 -1.90 -1.23 116.42 116.85 2grj h ASP 32 Ca 0.03 0.01 0.06 0.00 0.02 0.00 0.00 57.03 57.15 2grj h ASP 32 Cb 0.48 -0.01 -0.05 0.00 0.22 0.00 0.00 39.33 39.97 2grj h ASP 32 CO 0.03 0.09 0.32 0.03 -1.72 0.00 0.00 179.24 177.99 2grj h ARG 33 N 0.17 0.58 -0.99 3.56 -0.00 -1.89 -1.65 114.38 114.16 2grj h ARG 33 Ca 0.07 -0.04 0.06 0.00 -0.50 0.00 0.00 59.98 59.57 2grj h ARG 33 Cb 0.02 -0.13 -0.06 0.00 0.00 0.00 0.00 29.97 29.80 2grj h ARG 33 CO -0.06 0.39 0.64 0.82 0.00 0.00 0.00 179.97 181.76 2grj h ILE 34 N 0.60 1.10 -0.59 2.04 2.04 -1.20 -0.80 117.51 120.70 2grj h ILE 34 Ca 0.27 -0.40 0.09 0.00 1.00 0.00 0.00 64.86 65.82 2grj h ILE 34 Cb 0.18 -0.18 -0.07 0.00 -0.74 0.00 0.00 36.82 36.02 2grj h ILE 34 CO -0.18 0.21 0.23 1.23 0.00 0.00 0.00 178.15 179.64 2grj h GLY 35 N 1.17 0.83 1.11 5.37 0.00 -0.35 -1.18 103.07 110.03 2grj h GLY 35 Ca 0.42 -0.12 -0.02 0.00 0.00 0.00 0.00 47.33 47.60 2grj h GLY 35 CO -0.16 -0.00 0.41 0.45 0.00 0.00 0.00 176.54 177.24 2grj h HIS 36 N 0.42 1.14 -0.36 5.60 3.86 -0.32 -0.10 115.15 125.38 2grj h HIS 36 Ca 0.30 -0.04 -0.10 0.00 -1.16 0.00 0.00 60.37 59.36 2grj h HIS 36 Cb 0.35 -0.36 -0.01 0.00 1.06 0.00 0.00 27.41 28.45 2grj h HIS 36 CO -0.16 0.81 -0.17 0.93 0.86 0.00 0.00 177.93 180.21 2grj h GLU 37 N 1.15 0.75 -0.82 2.45 5.08 -1.07 -3.05 114.58 119.08 2grj h GLU 37 Ca 0.28 -0.33 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 2grj h GLU 37 Cb 0.08 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.27 2grj h GLU 37 CO -0.04 0.94 0.38 0.28 -1.00 0.00 0.00 179.01 179.57 2grj h VAL 38 N 0.54 1.26 -0.63 3.13 2.07 -0.79 -2.73 116.25 119.10 2grj h VAL 38 Ca 0.08 -0.73 0.11 0.00 0.82 0.00 0.00 66.70 66.98 2grj h VAL 38 Cb 0.71 0.21 -0.08 0.00 -1.52 0.00 0.00 31.29 30.61 2grj h VAL 38 CO 0.05 0.31 0.20 -0.07 0.02 0.00 0.00 177.57 178.08 2grj h LEU 39 N 1.18 0.14 -1.77 2.57 3.38 -0.92 -0.17 115.31 119.72 2grj h LEU 39 Ca 0.28 0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.33 2grj h LEU 39 Cb 0.13 0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 2grj h LEU 39 CO -0.03 0.08 -0.11 -0.33 0.09 0.00 0.00 178.44 178.13 2grj h GLU 40 N 0.35 0.01 0.00 1.13 4.39 -1.45 -2.02 114.58 116.98 2grj h GLU 40 Ca 0.33 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.03 2grj h GLU 40 Cb 0.46 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 2grj h GLU 40 CO -0.36 0.12 0.00 0.93 -1.16 0.00 0.00 179.01 178.54 2grj h GLU 41 N 0.01 0.00 -0.04 2.33 5.08 -0.92 -3.27 114.58 117.77 2grj h GLU 41 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2grj h GLU 41 Cb 0.20 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 2grj h GLU 41 CO 0.01 0.00 -0.31 1.33 -1.00 0.00 0.00 179.01 179.04 2grj n VAL 42 N -2.78 2.16 -0.28 3.13 0.24 -0.78 -4.83 118.33 115.19 2grj n VAL 42 Ca 0.03 -2.90 0.07 0.00 -2.04 0.00 0.00 64.34 59.49 2grj n VAL 42 Cb 0.38 -0.25 0.18 0.00 -1.47 0.00 0.00 33.84 32.69 2grj n VAL 42 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 2grj h LYS 43 N 0.76 0.09 -0.41 7.34 1.57 -1.58 -1.07 116.57 123.28 2grj h LYS 43 Ca 0.02 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 2grj h LYS 43 Cb 1.08 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.35 2grj h LYS 43 CO 0.04 0.06 0.13 0.93 -0.57 0.00 0.00 179.45 180.05 2grj h GLU 44 N 0.09 0.63 -0.39 3.15 4.39 -1.91 -1.41 114.58 119.14 2grj h GLU 44 Ca 0.45 -0.13 -0.10 0.00 0.34 0.00 0.00 59.36 59.91 2grj h GLU 44 Cb 0.81 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.36 2grj h GLU 44 CO -0.71 0.62 -0.18 0.87 -1.16 0.00 0.00 179.01 178.45 2grj h LYS 45 N 0.52 0.73 -0.58 2.33 1.57 -1.79 -1.56 116.57 117.79 2grj h LYS 45 Ca 0.13 -0.27 0.02 0.00 -1.87 0.00 0.00 60.65 58.66 2grj h LYS 45 Cb 0.25 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.48 2grj h LYS 45 CO -0.01 0.86 0.37 -0.07 -0.57 0.00 0.00 179.45 180.04 2grj h LEU 46 N 0.65 0.61 -0.56 2.94 3.38 -1.01 -0.17 115.31 121.15 2grj h LEU 46 Ca 0.10 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 2grj h LEU 46 Cb 0.66 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 2grj h LEU 46 CO 0.05 0.43 0.08 0.58 0.09 0.00 0.00 178.44 179.67 2grj h VAL 47 N 0.73 1.26 -0.94 1.22 2.07 -1.02 0.13 116.25 119.70 2grj h VAL 47 Ca 0.23 -1.00 0.04 0.00 0.82 0.00 0.00 66.70 66.79 2grj h VAL 47 Cb -0.02 0.81 -0.06 0.00 -1.52 0.00 0.00 31.29 30.50 2grj h VAL 47 CO -0.08 0.36 0.61 -0.33 0.02 0.00 0.00 177.57 178.15 2grj h GLU 48 N 0.83 1.13 -0.02 1.57 5.08 -1.00 -0.14 114.58 122.02 2grj h GLU 48 Ca 0.17 -0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 58.40 2grj h GLU 48 Cb 0.43 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.43 2grj h GLU 48 CO 0.01 0.75 -0.23 -0.07 -1.00 0.00 0.00 179.01 178.47 2grj h LEU 49 N 1.16 0.24 -1.52 1.33 3.38 -0.59 -3.41 115.31 115.92 2grj h LEU 49 Ca 0.38 -0.71 0.00 0.00 0.09 0.00 0.00 57.88 57.64 2grj h LEU 49 Cb 0.03 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.71 2grj h LEU 49 CO -0.13 0.91 0.00 0.49 0.09 0.00 0.00 178.44 179.80 2grj n PHE 50 N -4.53 0.02 0.00 1.13 3.72 0.40 -5.10 117.46 113.10 2grj n PHE 50 Ca -0.09 -0.12 0.00 0.00 -0.05 0.00 0.00 57.45 57.19 2grj n PHE 50 Cb 0.47 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.00 2grj n PHE 50 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2grj n GLY 51 N 0.01 -0.63 0.30 1.37 0.00 -0.07 -4.53 105.19 101.63 2grj n GLY 51 Ca 0.01 -1.72 0.18 0.00 0.00 0.00 0.00 46.02 44.50 2grj n GLY 51 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2grj h GLY 52 N 0.00 0.00 1.53 -0.02 0.00 -1.92 -3.27 103.07 99.38 2grj h GLY 52 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2grj h GLY 52 CO 0.00 0.00 0.20 1.48 0.00 0.00 0.00 176.54 178.22 2grj h SER 53 N 0.00 0.00 -0.28 0.19 4.64 -1.96 -2.63 113.55 113.51 2grj h SER 53 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2grj h SER 53 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 2grj h SER 53 CO 0.00 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.29 2grj n VAL 54 N -2.44 0.34 -4.75 0.95 0.24 -1.23 -4.86 118.33 106.57 2grj n VAL 54 Ca -0.02 -0.65 -0.33 0.00 -2.04 0.00 0.00 64.34 61.30 2grj n VAL 54 Cb 0.23 1.09 -0.12 0.00 -1.47 0.00 0.00 33.84 33.57 2grj n VAL 54 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2grj s LEU 55 N -1.64 2.88 0.00 1.34 1.43 -0.99 -0.43 118.68 121.26 2grj s LEU 55 Ca 0.36 -0.17 0.00 0.00 -1.03 0.00 0.00 54.13 53.29 2grj s LEU 55 Cb 0.22 -1.62 0.00 0.00 0.03 0.00 0.00 46.19 44.82 2grj s LEU 55 CO 0.31 0.33 0.00 1.21 0.23 0.00 0.00 176.35 178.43 2grj n GLU 56 N 2.11 0.00 -0.90 1.70 2.13 0.69 -4.85 120.64 121.53 2grj n GLU 56 Ca -0.17 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.52 2grj n GLU 56 Cb 0.52 0.00 -0.13 0.00 0.27 0.00 0.00 31.44 32.10 2grj n GLU 56 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 2grj n ASP 57 N 0.00 4.90 0.00 4.31 4.64 -1.26 -4.11 116.55 125.02 2grj n ASP 57 Ca 0.00 -2.37 0.00 0.00 -1.38 0.00 0.00 54.79 51.04 2grj n ASP 57 Cb 0.00 -1.26 0.00 0.00 -1.04 0.00 0.00 41.12 38.82 2grj n ASP 57 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 2grj n GLY 58 N 2.68 0.76 3.41 0.27 0.00 -1.26 -5.06 105.19 105.99 2grj n GLY 58 Ca 0.41 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.22 2grj n GLY 58 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2grj s LYS 59 N -0.18 1.50 0.19 1.61 -2.85 -1.26 -5.11 119.74 113.63 2grj s LYS 59 Ca 0.00 -1.69 -0.31 0.00 -1.00 0.00 0.00 55.97 52.98 2grj s LYS 59 Cb 0.00 -1.39 -0.10 0.00 -2.06 0.00 0.00 37.83 34.29 2grj s LYS 59 CO 0.00 0.23 1.47 0.08 0.10 0.00 0.00 175.35 177.23 2grj s VAL 60 N -2.79 2.80 -0.53 1.79 1.01 -1.26 -0.22 120.40 121.20 2grj s VAL 60 Ca 0.26 0.61 -0.17 0.00 0.00 0.00 0.00 61.98 62.69 2grj s VAL 60 Cb -0.02 -3.39 0.10 0.00 0.00 0.00 0.00 36.38 33.07 2grj s VAL 60 CO 0.11 0.07 0.54 0.21 0.00 0.00 0.00 175.10 176.02 2grj s ASN 61 N 0.81 6.18 0.39 3.32 3.84 0.43 -4.82 114.94 125.09 2grj s ASN 61 Ca 0.64 -1.51 0.12 0.00 0.21 0.00 0.00 52.86 52.32 2grj s ASN 61 Cb -0.41 -2.23 0.78 0.00 -0.55 0.00 0.00 41.25 38.84 2grj s ASN 61 CO 0.36 -0.87 1.88 0.03 -2.79 0.00 0.00 177.10 175.70 2grj h ARG 62 N 8.94 0.09 0.18 0.43 3.08 -1.93 -1.59 114.38 123.58 2grj h ARG 62 Ca -0.29 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 59.72 2grj h ARG 62 Cb 1.10 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.14 2grj h ARG 62 CO 1.01 0.35 -0.09 0.87 -1.07 0.00 0.00 179.97 181.04 2grj h LYS 63 N 0.09 -0.23 -0.78 0.04 6.56 -1.97 -0.15 116.57 120.11 2grj h LYS 63 Ca 0.01 0.02 -0.04 0.00 -1.06 0.00 0.00 60.65 59.58 2grj h LYS 63 Cb 0.51 0.05 -0.04 0.00 -0.57 0.00 0.00 32.23 32.18 2grj h LYS 63 CO 0.04 -0.06 0.35 0.87 -2.06 0.00 0.00 179.45 178.58 2grj h LYS 64 N -0.35 1.14 -0.31 3.15 6.56 -1.84 -0.43 116.57 124.48 2grj h LYS 64 Ca -0.02 -0.18 -0.07 0.00 -1.06 0.00 0.00 60.65 59.31 2grj h LYS 64 Cb 0.28 -0.20 -0.01 0.00 -0.57 0.00 0.00 32.23 31.73 2grj h LYS 64 CO 0.04 0.90 -0.09 1.25 -2.06 0.00 0.00 179.45 179.49 2grj h LEU 65 N 1.12 0.62 -0.90 2.94 5.85 -1.14 -2.35 115.31 121.45 2grj h LEU 65 Ca 0.27 -0.37 0.06 0.00 0.84 0.00 0.00 57.88 58.67 2grj h LEU 65 Cb 0.15 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 40.95 2grj h LEU 65 CO -0.03 0.85 0.57 0.00 -0.34 0.00 0.00 178.44 179.49 2grj h ALA 66 N 0.79 1.22 -1.00 1.25 0.00 -0.83 0.28 119.26 120.98 2grj h ALA 66 Ca 0.08 -0.02 0.17 0.00 0.00 0.00 0.00 54.91 55.14 2grj h ALA 66 Cb 0.58 -0.27 -0.10 0.00 0.00 0.00 0.00 17.79 18.01 2grj h ALA 66 CO 0.03 0.35 0.62 0.78 0.00 0.00 0.00 179.25 181.03 2grj h GLY 67 N 1.05 1.70 0.09 0.00 0.00 -0.56 -1.21 103.07 104.14 2grj h GLY 67 Ca 0.38 -0.37 -0.00 0.00 0.00 0.00 0.00 47.33 47.34 2grj h GLY 67 CO -0.16 -0.00 -0.04 -2.22 0.00 0.00 0.00 176.54 174.12 2grj h ILE 68 N 0.80 0.36 -0.01 2.60 2.04 -0.90 -3.36 117.51 119.03 2grj h ILE 68 Ca 0.55 -1.16 -0.13 0.00 1.00 0.00 0.00 64.86 65.12 2grj h ILE 68 Cb 0.82 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 37.54 2grj h ILE 68 CO -0.34 0.11 -0.60 -0.37 0.00 0.00 0.00 178.15 176.96 2grj h VAL 69 N -1.01 1.42 -0.26 1.67 -1.51 -0.91 -2.80 116.25 112.85 2grj h VAL 69 Ca -0.01 -2.03 0.00 0.00 -1.23 0.00 0.00 66.70 63.43 2grj h VAL 69 Cb 0.27 2.08 0.00 0.00 -2.13 0.00 0.00 31.29 31.51 2grj h VAL 69 CO 0.02 0.58 0.00 0.49 -1.23 0.00 0.00 177.57 177.43 2grj n PHE 70 N -3.84 0.77 0.68 5.19 3.72 -0.46 -2.83 117.46 120.69 2grj n PHE 70 Ca -0.01 -0.28 0.07 0.00 -0.05 0.00 0.00 57.45 57.17 2grj n PHE 70 Cb 0.60 -0.21 -0.04 0.00 -0.94 0.00 0.00 39.48 38.89 2grj n PHE 70 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 2grj n GLU 71 N 0.30 1.97 -3.69 -1.08 -0.58 -1.06 -4.98 120.64 111.52 2grj n GLU 71 Ca 0.11 -0.41 -0.11 0.00 -0.42 0.00 0.00 57.16 56.34 2grj n GLU 71 Cb 0.56 -1.22 -0.11 0.00 -0.57 0.00 0.00 31.44 30.10 2grj n GLU 71 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 2grj s SER 72 N -2.08 -0.26 0.26 1.62 0.15 -1.13 -5.03 113.70 107.23 2grj s SER 72 Ca 0.09 0.80 -0.04 0.00 0.70 0.00 0.00 55.95 57.50 2grj s SER 72 Cb 0.12 0.83 0.32 0.00 -1.71 0.00 0.00 66.02 65.58 2grj s SER 72 CO 0.48 -0.21 1.84 0.03 1.20 0.00 0.00 173.24 176.59 2grj h ARG 73 N 7.59 1.04 -0.45 5.44 3.08 -1.95 -1.63 114.38 127.50 2grj h ARG 73 Ca -0.29 -0.16 0.02 0.00 0.07 0.00 0.00 59.98 59.62 2grj h ARG 73 Cb 1.15 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 30.99 2grj h ARG 73 CO 0.24 0.83 0.27 1.49 -1.07 0.00 0.00 179.97 181.73 2grj h GLU 74 N 1.02 0.53 -0.26 0.04 4.81 -1.96 0.10 114.58 118.87 2grj h GLU 74 Ca 0.24 -0.03 -0.17 0.00 -0.13 0.00 0.00 59.36 59.27 2grj h GLU 74 Cb 0.16 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.42 2grj h GLU 74 CO -0.03 0.35 -0.51 -0.91 -0.73 0.00 0.00 179.01 177.18 2grj h ASN 75 N 0.55 0.80 -0.68 1.04 2.35 -1.82 -2.34 115.58 115.49 2grj h ASN 75 Ca 0.18 -0.42 -0.01 0.00 -0.55 0.00 0.00 56.30 55.50 2grj h ASN 75 Cb -0.00 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.10 2grj h ASN 75 CO -0.07 1.17 0.38 0.25 -1.65 0.00 0.00 177.43 177.51 2grj h LEU 76 N 0.57 0.84 -1.10 1.61 5.85 -0.96 -2.35 115.31 119.77 2grj h LEU 76 Ca 0.02 -0.09 -0.06 0.00 0.84 0.00 0.00 57.88 58.59 2grj h LEU 76 Cb 1.09 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.88 2grj h LEU 76 CO 0.11 0.69 0.01 0.11 -0.34 0.00 0.00 178.44 179.02 2grj h LYS 77 N 0.93 0.65 -0.73 1.25 1.57 -0.62 -0.53 116.57 119.09 2grj h LYS 77 Ca 0.24 -0.15 0.02 0.00 -1.87 0.00 0.00 60.65 58.89 2grj h LYS 77 Cb 0.03 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.21 2grj h LYS 77 CO -0.04 0.66 0.47 0.87 -0.57 0.00 0.00 179.45 180.84 2grj h LYS 78 N 0.62 0.92 -0.18 3.15 1.57 -1.01 -0.62 116.57 121.02 2grj h LYS 78 Ca 0.13 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.81 2grj h LYS 78 Cb 0.37 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.47 2grj h LYS 78 CO 0.01 0.61 -0.08 1.25 -0.57 0.00 0.00 179.45 180.67 2grj h LEU 79 N 0.95 0.38 -0.48 2.94 5.85 -0.92 -2.82 115.31 121.21 2grj h LEU 79 Ca 0.28 -0.40 0.07 0.00 0.84 0.00 0.00 57.88 58.66 2grj h LEU 79 Cb -0.06 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 40.81 2grj h LEU 79 CO -0.08 0.70 0.15 -0.33 -0.34 0.00 0.00 178.44 178.54 2grj h GLU 80 N 0.06 0.31 -0.15 1.25 5.08 -0.88 -0.77 114.58 119.48 2grj h GLU 80 Ca 0.04 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.39 2grj h GLU 80 Cb 0.55 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 2grj h GLU 80 CO 0.02 0.20 0.10 1.25 -1.00 0.00 0.00 179.01 179.59 2grj h LEU 81 N 0.32 0.15 0.05 1.33 5.85 -1.11 -0.65 115.31 121.25 2grj h LEU 81 Ca 0.23 -0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.78 2grj h LEU 81 Cb 0.26 -0.04 0.02 0.00 0.37 0.00 0.00 40.66 41.27 2grj h LEU 81 CO -0.25 0.11 -0.70 0.25 -0.34 0.00 0.00 178.44 177.50 2grj h LEU 82 N 0.18 0.53 0.00 2.25 5.85 -1.00 -3.42 115.31 119.69 2grj h LEU 82 Ca 0.06 -0.83 -0.22 0.00 0.84 0.00 0.00 57.88 57.73 2grj h LEU 82 Cb 0.02 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 40.84 2grj h LEU 82 CO -0.01 1.30 -2.03 1.33 -0.34 0.00 0.00 178.44 178.68 2grj n VAL 83 N -4.17 0.82 -0.24 1.05 0.24 -0.40 -4.60 118.33 111.03 2grj n VAL 83 Ca -0.12 -0.61 -0.01 0.00 -2.04 0.00 0.00 64.34 61.56 2grj n VAL 83 Cb 0.74 -0.39 0.10 0.00 -1.47 0.00 0.00 33.84 32.82 2grj n VAL 83 CO 0.00 0.00 0.00 0.45 -2.14 0.00 0.00 176.83 175.14 2grj h HIS 84 N 0.00 0.73 -0.62 6.34 3.86 -1.33 -2.90 115.15 121.23 2grj h HIS 84 Ca -0.32 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 58.89 2grj h HIS 84 Cb 1.68 -0.23 -0.03 0.00 1.06 0.00 0.00 27.41 29.90 2grj h HIS 84 CO 0.00 0.35 0.32 -1.35 0.86 0.00 0.00 177.93 178.12 2grj h PRO 85 N 0.73 0.87 -1.55 2.45 0.11 -1.81 -0.65 132.00 132.15 2grj h PRO 85 Ca 0.31 -0.11 0.00 0.00 0.11 0.00 0.00 66.00 66.31 2grj h PRO 85 Cb 0.18 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.13 2grj h PRO 85 CO -0.18 0.68 0.00 1.28 -0.21 0.00 0.00 178.00 179.57 2grj n LEU 86 N -4.54 0.85 0.00 2.35 4.32 -1.10 -1.90 117.00 116.98 2grj n LEU 86 Ca 0.04 -0.42 0.00 0.00 -0.02 0.00 0.00 56.01 55.61 2grj n LEU 86 Cb 0.10 -0.15 0.00 0.00 -1.62 0.00 0.00 43.42 41.75 2grj n LEU 86 CO 0.37 0.14 0.00 0.29 -1.22 0.00 0.00 177.39 176.98 2grj n LYS 88 N 0.80 0.00 -0.29 3.23 5.02 -0.25 -1.98 118.16 124.69 2grj n LYS 88 Ca 0.00 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.30 2grj n LYS 88 Cb 0.14 0.00 0.13 0.00 -0.02 0.00 0.00 35.03 35.29 2grj n LYS 88 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2grj h LYS 89 N 0.00 0.84 -0.31 1.97 1.63 -1.63 -0.70 116.57 118.36 2grj h LYS 89 Ca 0.00 -0.05 -0.07 0.00 -0.85 0.00 0.00 60.65 59.68 2grj h LYS 89 Cb 0.00 -0.19 -0.01 0.00 -0.60 0.00 0.00 32.23 31.43 2grj h LYS 89 CO 0.00 0.55 -0.08 -0.09 -3.45 0.00 0.00 179.45 176.38 2grj h ARG 90 N 0.86 0.60 -0.22 1.90 9.65 -1.67 -1.76 114.38 123.73 2grj h ARG 90 Ca 0.36 -0.23 0.03 0.00 -1.10 0.00 0.00 59.98 59.03 2grj h ARG 90 Cb 0.21 -0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 28.73 2grj h ARG 90 CO -0.19 0.79 0.06 0.28 2.80 0.00 0.00 179.97 183.71 2grj h VAL 91 N 0.37 0.92 -0.93 0.20 2.07 -1.74 -2.25 116.25 114.89 2grj h VAL 91 Ca 0.08 -0.05 0.01 0.00 0.82 0.00 0.00 66.70 67.56 2grj h VAL 91 Cb 0.57 0.75 -0.05 0.00 -1.52 0.00 0.00 31.29 31.05 2grj h VAL 91 CO 0.03 0.03 0.61 -0.61 0.02 0.00 0.00 177.57 177.65 2grj h GLN 92 N 0.16 1.21 -0.70 1.57 4.15 -0.99 -1.06 115.11 119.43 2grj h GLN 92 Ca 0.10 -0.07 -0.01 0.00 0.77 0.00 0.00 58.65 59.44 2grj h GLN 92 Cb 0.08 -0.27 -0.03 0.00 0.21 0.00 0.00 27.48 27.46 2grj h GLN 92 CO -0.11 0.80 0.41 0.93 -1.93 0.00 0.00 178.83 178.92 2grj h GLU 93 N 1.24 0.97 -0.26 1.69 5.08 -0.98 -0.78 114.58 121.54 2grj h GLU 93 Ca 0.34 -0.10 -0.03 0.00 -1.00 0.00 0.00 59.36 58.58 2grj h GLU 93 Cb -0.13 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 28.92 2grj h GLU 93 CO -0.08 0.70 0.06 0.82 -1.00 0.00 0.00 179.01 179.52 2grj h ILE 94 N 0.96 1.21 -0.57 3.13 2.04 -0.86 -2.62 117.51 120.81 2grj h ILE 94 Ca 0.25 -0.70 0.08 0.00 1.00 0.00 0.00 64.86 65.49 2grj h ILE 94 Cb -0.00 1.18 -0.06 0.00 -0.74 0.00 0.00 36.82 37.19 2grj h ILE 94 CO -0.04 0.23 0.23 0.40 0.00 0.00 0.00 178.15 178.96 2grj h ILE 95 N 0.25 0.83 0.00 -0.67 2.04 -0.92 -2.18 117.51 116.86 2grj h ILE 95 Ca 0.08 -0.15 -0.04 0.00 1.00 0.00 0.00 64.86 65.76 2grj h ILE 95 Cb 0.28 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 36.72 2grj h ILE 95 CO 0.00 0.08 -0.17 0.78 0.00 0.00 0.00 178.15 178.84 2grj h ASN 96 N 0.43 0.00 -0.28 1.72 2.35 -0.93 -2.91 115.58 115.96 2grj h ASN 96 Ca 0.28 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.03 2grj h ASN 96 Cb 0.29 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.66 2grj h ASN 96 CO -0.26 0.17 0.00 0.29 -1.65 0.00 0.00 177.43 175.98 2grj n LYS 97 N -3.99 2.26 -4.77 0.81 5.02 -0.86 -4.81 118.16 111.82 2grj n LYS 97 Ca -0.02 -1.89 -0.26 0.00 -2.02 0.00 0.00 58.31 54.11 2grj n LYS 97 Cb 0.25 -1.48 -0.16 0.00 -0.02 0.00 0.00 35.03 33.62 2grj n LYS 97 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2grj s THR 98 N -1.64 1.37 0.29 -0.18 2.01 -0.98 -5.07 115.64 111.44 2grj s THR 98 Ca 0.36 -0.65 0.06 0.00 0.31 0.00 0.00 61.69 61.77 2grj s THR 98 Cb 0.21 -1.21 -0.02 0.00 0.01 0.00 0.00 72.50 71.49 2grj s THR 98 CO 0.30 0.40 0.36 -0.44 -0.69 0.00 0.00 174.62 174.56 2grj s SER 99 N 0.35 5.92 0.00 3.53 0.01 -1.26 -4.67 113.70 117.57 2grj s SER 99 Ca -0.10 -0.16 0.00 0.00 1.31 0.00 0.00 55.95 57.00 2grj s SER 99 Cb -0.14 -1.44 0.00 0.00 0.21 0.00 0.00 66.02 64.65 2grj s SER 99 CO 0.04 -0.23 0.00 0.61 0.41 0.00 0.00 173.24 174.06 2grj n GLY 100 N -1.45 -0.77 3.66 3.44 0.00 -0.87 -4.81 105.19 104.39 2grj n GLY 100 Ca -0.05 -1.44 -0.42 0.00 0.00 0.00 0.00 46.02 44.12 2grj n GLY 100 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2grj s LEU 101 N 0.00 4.15 -0.10 0.99 2.96 -1.26 -4.39 118.68 121.04 2grj s LEU 101 Ca 0.00 1.18 0.04 0.00 -0.22 0.00 0.00 54.13 55.13 2grj s LEU 101 Cb 0.00 -3.26 -0.00 0.00 0.50 0.00 0.00 46.19 43.42 2grj s LEU 101 CO 0.00 -0.44 -0.23 -0.63 -1.32 0.00 0.00 176.35 173.73 2grj s ILE 102 N 2.35 2.18 -0.16 6.68 1.01 -1.26 -0.78 121.20 131.22 2grj s ILE 102 Ca 0.38 -0.98 -0.01 0.00 0.00 0.00 0.00 60.65 60.04 2grj s ILE 102 Cb -0.16 -1.83 -0.01 0.00 0.01 0.00 0.00 42.46 40.47 2grj s ILE 102 CO 0.11 0.56 -0.12 -0.69 0.00 0.00 0.00 174.94 174.80 2grj s VAL 103 N 0.27 2.95 -0.50 2.92 1.01 0.34 -1.02 120.40 126.37 2grj s VAL 103 Ca -0.16 -0.67 -0.16 0.00 0.00 0.00 0.00 61.98 60.98 2grj s VAL 103 Cb -0.17 -2.27 0.08 0.00 0.00 0.00 0.00 36.38 34.02 2grj s VAL 103 CO 0.08 0.50 0.48 -0.63 0.00 0.00 0.00 175.10 175.53 2grj s ILE 104 N 0.80 5.13 -0.37 2.22 1.01 -0.14 -0.13 121.20 129.71 2grj s ILE 104 Ca -0.04 -1.04 -0.20 0.00 0.00 0.00 0.00 60.65 59.37 2grj s ILE 104 Cb -0.15 -4.22 0.01 0.00 0.01 0.00 0.00 42.46 38.10 2grj s ILE 104 CO 0.01 -0.71 0.59 -0.70 0.00 0.00 0.00 174.94 174.12 2grj s GLU 105 N 1.89 3.55 -0.30 2.79 2.12 -0.18 -0.98 118.70 127.59 2grj s GLU 105 Ca 0.06 -0.14 -0.08 0.00 0.36 0.00 0.00 54.97 55.17 2grj s GLU 105 Cb -0.24 -3.84 0.16 0.00 0.26 0.00 0.00 34.13 30.46 2grj s GLU 105 CO 0.07 -0.77 0.71 0.00 -0.54 0.00 0.00 175.26 174.73 2grj s ALA 106 N 2.61 -2.29 0.26 6.30 0.00 -0.65 -1.96 121.76 126.02 2grj s ALA 106 Ca 0.22 2.11 -0.02 0.00 0.00 0.00 0.00 51.96 54.26 2grj s ALA 106 Cb -0.15 -1.98 0.54 0.00 0.00 0.00 0.00 23.12 21.54 2grj s ALA 106 CO 0.15 -1.08 1.71 0.00 0.00 0.00 0.00 175.76 176.54 2grj h ALA 107 N 7.93 1.15 -0.84 0.00 0.00 -1.80 -2.61 119.26 123.09 2grj h ALA 107 Ca -0.19 0.15 -0.46 0.00 0.00 0.00 0.00 54.91 54.40 2grj h ALA 107 Cb 1.12 0.15 -0.26 0.00 0.00 0.00 0.00 17.79 18.81 2grj h ALA 107 CO 0.13 -0.28 0.59 1.28 0.00 0.00 0.00 179.25 180.97 2grj n LEU 108 N -5.06 6.39 -0.24 0.00 4.77 -1.26 -4.22 117.00 117.38 2grj n LEU 108 Ca 0.17 -3.42 0.00 0.00 -0.03 0.00 0.00 56.01 52.73 2grj n LEU 108 Cb 0.50 -0.83 0.07 0.00 -2.33 0.00 0.00 43.42 40.83 2grj n LEU 108 CO 0.15 1.05 0.71 0.25 -1.33 0.00 0.00 177.39 178.22 2grj h LEU 109 N 1.25 -0.71 -0.08 2.23 5.85 -1.84 -1.99 115.31 120.03 2grj h LEU 109 Ca 0.53 0.21 -0.10 0.00 0.84 0.00 0.00 57.88 59.37 2grj h LEU 109 Cb 2.20 0.45 0.00 0.00 0.37 0.00 0.00 40.66 43.68 2grj h LEU 109 CO 1.02 -0.24 -0.33 0.50 -0.34 0.00 0.00 178.44 179.05 2grj h LYS 110 N -0.02 0.36 -1.98 1.25 3.64 -1.87 -1.34 116.57 116.61 2grj h LYS 110 Ca 0.33 -0.28 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 2grj h LYS 110 Cb 0.52 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 2grj h LYS 110 CO -0.72 0.92 0.00 -2.13 -2.27 0.00 0.00 179.45 175.24 2grj n ARG 111 N -4.41 0.02 -0.17 1.90 0.63 -0.75 -4.57 116.66 109.31 2grj n ARG 111 Ca -0.08 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.85 2grj n ARG 111 Cb 0.50 -1.49 0.00 0.00 0.45 0.00 0.00 32.46 31.92 2grj n ARG 111 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2grj n GLY 113 N 1.15 -0.07 0.25 5.14 0.00 -1.16 -5.14 105.19 105.35 2grj n GLY 113 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 2grj n GLY 113 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2grj h LEU 114 N 0.00 0.00 -2.20 0.99 3.38 -1.50 -2.92 115.31 113.07 2grj h LEU 114 Ca 0.00 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.00 2grj h LEU 114 Cb 1.05 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.80 2grj h LEU 114 CO 0.00 0.15 0.08 -2.24 0.09 0.00 0.00 178.44 176.53 2grj h ASP 115 N 0.00 0.00 1.04 -0.43 2.03 -1.81 -0.29 116.42 116.96 2grj h ASP 115 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2grj h ASP 115 Cb 0.53 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.03 2grj h ASP 115 CO 0.02 0.00 0.00 1.56 -1.03 0.00 0.00 179.24 179.79 2grj h GLN 116 N 0.00 0.00 -0.00 4.15 1.08 -1.84 -2.13 115.11 116.37 2grj h GLN 116 Ca 0.04 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.24 2grj h GLN 116 Cb 0.21 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.64 2grj h GLN 116 CO -0.00 0.00 -0.08 1.28 -0.95 0.00 0.00 178.83 179.08 2grj n LEU 117 N -2.71 0.23 -4.85 1.46 4.77 -0.12 -4.92 117.00 110.86 2grj n LEU 117 Ca 0.02 0.18 -0.37 0.00 -0.03 0.00 0.00 56.01 55.81 2grj n LEU 117 Cb 0.31 -0.27 -0.06 0.00 -2.33 0.00 0.00 43.42 41.07 2grj n LEU 117 CO 0.25 0.04 -0.13 0.00 -1.33 0.00 0.00 177.39 176.23 2grj h ASP 119 N 5.22 0.78 -5.13 0.00 3.32 -0.50 -3.46 116.42 116.65 2grj h ASP 119 Ca -0.52 -0.47 -0.12 0.00 0.02 0.00 0.00 57.03 55.94 2grj h ASP 119 Cb 1.22 -0.23 -0.16 0.00 0.22 0.00 0.00 39.33 40.38 2grj h ASP 119 CO 0.61 1.23 -0.53 -1.00 -1.72 0.00 0.00 179.24 177.83 2grj s HIS 120 N -3.86 0.26 -0.07 4.55 3.76 -1.14 -5.05 115.29 113.74 2grj s HIS 120 Ca -0.09 -0.64 0.03 0.00 -0.15 0.00 0.00 55.06 54.21 2grj s HIS 120 Cb 0.10 -0.18 0.01 0.00 1.11 0.00 0.00 32.58 33.62 2grj s HIS 120 CO 0.87 -0.40 -0.15 0.08 -0.85 0.00 0.00 174.74 174.29 2grj s VAL 121 N -3.12 1.34 -0.19 -0.90 1.01 -1.26 -0.86 120.40 116.43 2grj s VAL 121 Ca -0.01 -0.60 -0.06 0.00 0.00 0.00 0.00 61.98 61.31 2grj s VAL 121 Cb 0.02 -1.20 -0.03 0.00 0.00 0.00 0.00 36.38 35.17 2grj s VAL 121 CO -0.07 0.40 0.02 -0.63 0.00 0.00 0.00 175.10 174.82 2grj s ILE 122 N 0.57 4.24 -0.23 2.22 1.01 0.84 -0.68 121.20 129.17 2grj s ILE 122 Ca -0.15 -0.22 -0.08 0.00 0.00 0.00 0.00 60.65 60.20 2grj s ILE 122 Cb -0.16 -2.91 -0.04 0.00 0.01 0.00 0.00 42.46 39.36 2grj s ILE 122 CO 0.05 0.44 0.08 -0.89 0.00 0.00 0.00 174.94 174.62 2grj s THR 123 N 0.77 4.58 -0.07 2.92 2.01 -0.30 -0.83 115.64 124.73 2grj s THR 123 Ca 0.01 -0.09 -0.22 0.00 0.31 0.00 0.00 61.69 61.71 2grj s THR 123 Cb -0.14 -3.12 -0.04 0.00 0.01 0.00 0.00 72.50 69.21 2grj s THR 123 CO 0.02 0.37 0.63 -0.69 -0.69 0.00 0.00 174.62 174.26 2grj s VAL 124 N 1.23 5.05 0.16 3.82 1.01 -0.10 -1.13 120.40 130.45 2grj s VAL 124 Ca 0.05 1.30 0.08 0.00 0.00 0.00 0.00 61.98 63.41 2grj s VAL 124 Cb -0.14 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.23 2grj s VAL 124 CO 0.04 0.30 -0.18 0.68 0.00 0.00 0.00 175.10 175.94 2grj s VAL 125 N 0.57 1.77 -0.05 2.92 -7.23 -0.70 -4.18 120.40 113.49 2grj s VAL 125 Ca 0.34 -1.91 -0.31 0.00 -1.81 0.00 0.00 61.98 58.29 2grj s VAL 125 Cb -0.17 -1.82 0.07 0.00 0.56 0.00 0.00 36.38 35.02 2grj s VAL 125 CO 0.16 -0.33 0.67 0.00 -0.31 0.00 0.00 175.10 175.29 2grj s ALA 126 N -2.09 -1.75 0.73 1.32 0.00 -1.26 -0.60 121.76 118.11 2grj s ALA 126 Ca 0.15 1.31 -0.14 0.00 0.00 0.00 0.00 51.96 53.28 2grj s ALA 126 Cb -0.05 -0.02 0.04 0.00 0.00 0.00 0.00 23.12 23.08 2grj s ALA 126 CO 0.06 -0.37 1.17 -1.54 0.00 0.00 0.00 175.76 175.09 2grj s SER 127 N -1.17 4.35 0.20 0.00 1.04 -1.26 -4.79 113.70 112.08 2grj s SER 127 Ca -0.11 2.23 -0.10 0.00 0.48 0.00 0.00 55.95 58.46 2grj s SER 127 Cb -0.00 -2.58 0.26 0.00 0.10 0.00 0.00 66.02 63.80 2grj s SER 127 CO 0.10 -2.15 1.76 -0.09 0.98 0.00 0.00 173.24 173.84 2grj h ARG 128 N -0.35 0.46 -0.84 4.02 2.43 -2.01 -0.53 114.38 117.56 2grj h ARG 128 Ca -0.47 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 58.67 2grj h ARG 128 Cb 1.28 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 30.69 2grj h ARG 128 CO 0.50 0.30 0.51 1.49 -1.51 0.00 0.00 179.97 181.26 2grj h GLU 129 N 0.47 1.13 -0.49 0.20 4.81 -2.00 -1.06 114.58 117.64 2grj h GLU 129 Ca 0.30 -0.10 -0.03 0.00 -0.13 0.00 0.00 59.36 59.39 2grj h GLU 129 Cb 0.32 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 2grj h GLU 129 CO -0.26 0.80 0.19 1.15 -0.73 0.00 0.00 179.01 180.16 2grj h THR 130 N 1.15 1.21 -0.39 0.32 2.02 -1.67 -2.34 112.91 113.21 2grj h THR 130 Ca 0.30 -0.67 -0.01 0.00 0.77 0.00 0.00 66.41 66.80 2grj h THR 130 Cb -0.05 0.73 -0.02 0.00 -1.74 0.00 0.00 68.15 67.07 2grj h THR 130 CO -0.06 0.25 0.20 0.40 0.37 0.00 0.00 175.52 176.68 2grj h ILE 131 N 0.66 1.16 -0.57 3.11 2.04 -0.59 -2.99 117.51 120.32 2grj h ILE 131 Ca 0.16 -0.43 -0.06 0.00 1.00 0.00 0.00 64.86 65.53 2grj h ILE 131 Cb 0.20 0.74 -0.03 0.00 -0.74 0.00 0.00 36.82 37.00 2grj h ILE 131 CO -0.01 0.17 0.11 -0.07 0.00 0.00 0.00 178.15 178.34 2grj h LEU 132 N 0.49 0.84 -1.80 1.44 3.38 -1.06 -1.67 115.31 116.94 2grj h LEU 132 Ca 0.13 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 2grj h LEU 132 Cb 0.09 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 2grj h LEU 132 CO -0.02 0.84 -0.03 0.11 0.09 0.00 0.00 178.44 179.44 2grj h LYS 133 N 0.85 0.09 0.09 1.13 6.56 -1.31 -3.21 116.57 120.78 2grj h LYS 133 Ca 0.18 -0.01 -0.33 0.00 -1.06 0.00 0.00 60.65 59.43 2grj h LYS 133 Cb 0.35 -0.02 -0.02 0.00 -0.57 0.00 0.00 32.23 31.97 2grj h LYS 133 CO 0.00 0.13 -1.79 0.00 -2.06 0.00 0.00 179.45 175.73 2grj h ARG 134 N 0.09 0.19 -4.15 3.15 3.08 -1.22 -3.47 114.38 112.05 2grj h ARG 134 Ca 0.02 -0.33 -0.39 0.00 0.07 0.00 0.00 59.98 59.36 2grj h ARG 134 Cb 0.11 0.12 -0.32 0.00 0.08 0.00 0.00 29.97 29.96 2grj h ARG 134 CO 0.00 0.99 -0.77 1.21 -1.07 0.00 0.00 179.97 180.34 2grj s ASN 135 N -6.77 0.85 0.07 7.04 3.84 -0.71 -5.05 114.94 114.22 2grj s ASN 135 Ca -0.14 -0.12 0.05 0.00 0.21 0.00 0.00 52.86 52.86 2grj s ASN 135 Cb 0.07 -0.32 -0.23 0.00 -0.55 0.00 0.00 41.25 40.21 2grj s ASN 135 CO 0.81 -0.01 1.11 0.08 -2.79 0.00 0.00 177.10 176.30 2grj h ARG 136 N 6.79 0.07 0.00 0.43 0.11 -1.88 -3.20 114.38 116.69 2grj h ARG 136 Ca -0.36 -0.12 0.00 0.00 0.10 0.00 0.00 59.98 59.60 2grj h ARG 136 Cb 1.16 0.05 0.00 0.00 1.11 0.00 0.00 29.97 32.29 2grj h ARG 136 CO 0.48 0.97 0.00 0.93 0.10 0.00 0.00 179.97 182.45 2grj h GLU 137 N 0.02 0.00 -0.73 0.08 5.08 -1.96 -3.35 114.58 113.72 2grj h GLU 137 Ca -0.10 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.21 2grj h GLU 137 Cb 1.87 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 31.09 2grj h GLU 137 CO 0.14 0.00 0.28 0.00 -1.00 0.00 0.00 179.01 178.42 2grj h ALA 138 N 2.24 0.95 -0.68 3.43 0.00 -1.91 -1.08 119.26 122.21 2grj h ALA 138 Ca 0.00 -0.19 0.12 0.00 0.00 0.00 0.00 54.91 54.84 2grj h ALA 138 Cb 0.48 -0.28 -0.13 0.00 0.00 0.00 0.00 17.79 17.86 2grj h ALA 138 CO 0.00 0.58 -0.29 0.22 0.00 0.00 0.00 179.25 179.76 2grj h ASP 139 N 1.05 -1.04 -0.04 0.00 1.82 -1.80 -0.13 116.42 116.28 2grj h ASP 139 Ca 0.24 0.23 -0.20 0.00 -0.39 0.00 0.00 57.03 56.92 2grj h ASP 139 Cb 0.23 0.56 0.00 0.00 0.68 0.00 0.00 39.33 40.80 2grj h ASP 139 CO -0.02 -0.28 -0.68 -0.09 -1.61 0.00 0.00 179.24 176.55 2grj h ARG 140 N -0.10 0.67 0.00 0.28 2.43 -1.51 -3.35 114.38 112.81 2grj h ARG 140 Ca 0.28 -0.50 -0.12 0.00 -0.81 0.00 0.00 59.98 58.83 2grj h ARG 140 Cb 0.55 0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.17 2grj h ARG 140 CO -0.74 1.12 -1.10 0.00 -1.51 0.00 0.00 179.97 177.74 2grj h ARG 141 N 0.48 0.00 -0.28 0.20 3.08 -0.63 -3.32 114.38 113.91 2grj h ARG 141 Ca -0.02 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.04 2grj h ARG 141 Cb 1.28 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.32 2grj h ARG 141 CO 0.13 0.28 0.19 -0.07 -1.07 0.00 0.00 179.97 179.44 2grj h LEU 142 N 0.00 0.29 -2.34 3.04 3.38 -1.18 -1.53 115.31 116.97 2grj h LEU 142 Ca -0.10 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 57.90 2grj h LEU 142 Cb 1.43 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 42.11 2grj h LEU 142 CO 0.04 0.20 0.14 0.11 0.09 0.00 0.00 178.44 179.03 2grj h LYS 143 N 0.33 0.00 -0.57 1.13 1.57 -1.73 0.39 116.57 117.70 2grj h LYS 143 Ca 0.11 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.80 2grj h LYS 143 Cb 0.03 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.29 2grj h LYS 143 CO -0.02 0.00 0.09 1.19 -0.57 0.00 0.00 179.45 180.14 2grj n PHE 144 N -3.72 1.97 -1.01 -1.35 3.01 -0.58 -4.43 117.46 111.35 2grj n PHE 144 Ca -0.00 -0.97 0.03 0.00 1.01 0.00 0.00 57.45 57.52 2grj n PHE 144 Cb 0.24 -0.54 0.04 0.00 -0.01 0.00 0.00 39.48 39.22 2grj n PHE 144 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 2grj n GLN 145 N 0.05 1.16 0.23 -1.08 6.02 0.13 -4.81 117.38 119.07 2grj n GLN 145 Ca 0.32 -1.53 0.14 0.00 -0.01 0.00 0.00 57.00 55.92 2grj n GLN 145 Cb 1.21 -0.94 0.79 0.00 1.02 0.00 0.00 30.24 32.31 2grj n GLN 145 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 2grj h GLU 146 N 0.00 0.00 -0.02 -1.09 5.08 -1.77 -1.11 114.58 115.67 2grj h GLU 146 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2grj h GLU 146 Cb 0.97 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.22 2grj h GLU 146 CO 0.00 0.00 0.00 -0.40 -1.00 0.00 0.00 179.01 177.61 2grj n ASP 147 N -4.09 0.71 -4.48 1.42 5.75 -1.26 -4.56 116.55 110.05 2grj n ASP 147 Ca -0.00 -1.29 -0.43 0.00 -0.01 0.00 0.00 54.79 53.05 2grj n ASP 147 Cb 0.22 -0.01 -0.02 0.00 -1.03 0.00 0.00 41.12 40.27 2grj n ASP 147 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 2grj s ILE 148 N -1.98 4.57 0.21 2.12 1.01 -0.42 -4.93 121.20 121.77 2grj s ILE 148 Ca 0.41 -1.49 0.05 0.00 0.00 0.00 0.00 60.65 59.62 2grj s ILE 148 Cb 0.20 -4.86 -0.03 0.00 0.01 0.00 0.00 42.46 37.78 2grj s ILE 148 CO 0.33 -1.62 0.26 0.68 0.00 0.00 0.00 174.94 174.60 2grj s VAL 149 N 3.12 4.94 0.19 2.92 -7.23 -1.26 -4.77 120.40 118.31 2grj s VAL 149 Ca 0.37 -1.04 -0.33 0.00 -1.81 0.00 0.00 61.98 59.17 2grj s VAL 149 Cb -0.03 -3.62 -0.13 0.00 0.56 0.00 0.00 36.38 33.16 2grj s VAL 149 CO -0.09 -0.24 1.68 -2.65 -0.31 0.00 0.00 175.10 173.49 2grj n PRO 150 N -0.97 2.59 -3.90 4.82 -0.02 -1.26 -4.98 135.00 131.28 2grj n PRO 150 Ca -0.08 0.94 -0.10 0.00 -2.02 0.00 0.00 63.50 62.24 2grj n PRO 150 Cb 0.56 -2.76 -0.09 0.00 -0.02 0.00 0.00 33.50 31.19 2grj n PRO 150 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 2grj s GLN 151 N 1.10 0.56 7.80 -0.52 -2.07 -1.26 -5.08 119.66 120.19 2grj s GLN 151 Ca 0.76 -0.63 0.00 0.00 -1.82 0.00 0.00 55.36 53.67 2grj s GLN 151 Cb -0.56 0.22 0.00 0.00 -1.09 0.00 0.00 33.01 31.59 2grj s GLN 151 CO 0.34 -0.14 0.00 0.41 -1.32 0.00 0.00 175.29 174.58 2grj n GLY 152 N 0.98 3.26 3.50 2.60 0.00 -1.26 -3.41 105.19 110.86 2grj n GLY 152 Ca -0.20 -0.14 -0.38 0.00 0.00 0.00 0.00 46.02 45.30 2grj n GLY 152 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2grj s ILE 153 N 0.00 4.74 -0.14 -0.61 1.01 0.14 -4.93 121.20 121.41 2grj s ILE 153 Ca 0.00 -0.10 -0.22 0.00 0.00 0.00 0.00 60.65 60.32 2grj s ILE 153 Cb 0.00 -3.28 -0.03 0.00 0.01 0.00 0.00 42.46 39.16 2grj s ILE 153 CO 0.00 0.24 0.67 -0.69 0.00 0.00 0.00 174.94 175.16 2grj s VAL 154 N 1.67 5.02 -0.30 2.92 1.01 -1.26 -1.15 120.40 128.31 2grj s VAL 154 Ca 0.06 1.32 0.03 0.00 0.00 0.00 0.00 61.98 63.39 2grj s VAL 154 Cb -0.16 -3.99 0.08 0.00 0.00 0.00 0.00 36.38 32.30 2grj s VAL 154 CO 0.07 0.17 -0.02 -0.69 0.00 0.00 0.00 175.10 174.62 2grj s VAL 155 N 1.44 2.31 0.12 2.92 1.01 -0.28 -4.96 120.40 122.96 2grj s VAL 155 Ca 0.33 -1.93 -0.30 0.00 0.00 0.00 0.00 61.98 60.07 2grj s VAL 155 Cb -0.16 -2.51 -0.06 0.00 0.00 0.00 0.00 36.38 33.64 2grj s VAL 155 CO 0.13 -0.30 1.11 0.00 0.00 0.00 0.00 175.10 176.04 2grj s ALA 156 N 1.03 3.35 -0.54 5.51 0.00 -1.26 -1.73 121.76 128.11 2grj s ALA 156 Ca 0.00 0.78 0.07 0.00 0.00 0.00 0.00 51.96 52.81 2grj s ALA 156 Cb -0.20 -3.37 0.28 0.00 0.00 0.00 0.00 23.12 19.83 2grj s ALA 156 CO -0.06 -0.27 0.74 -1.71 0.00 0.00 0.00 175.76 174.47 2grj n ASN 157 N 3.01 2.84 -0.05 0.00 5.15 0.23 -4.84 115.26 121.61 2grj n ASN 157 Ca 0.05 -3.29 0.06 0.00 -0.60 0.00 0.00 54.58 50.80 2grj n ASN 157 Cb 0.47 -0.63 0.08 0.00 -0.53 0.00 0.00 39.78 39.17 2grj n ASN 157 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2grj n ASN 158 N 0.67 2.22 0.00 1.20 3.02 -1.26 -4.73 115.26 116.38 2grj n ASN 158 Ca 0.28 -2.65 0.00 0.00 -0.03 0.00 0.00 54.58 52.17 2grj n ASN 158 Cb 0.46 -0.26 0.00 0.00 -0.61 0.00 0.00 39.78 39.37 2grj n ASN 158 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2grj n SER 159 N -1.06 0.00 -4.93 6.41 3.41 -1.26 -5.08 113.62 111.12 2grj n SER 159 Ca 0.10 0.00 -0.26 0.00 -0.26 0.00 0.00 58.87 58.45 2grj n SER 159 Cb 0.49 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.45 2grj n SER 159 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2grj s THR 160 N 3.73 4.33 0.22 6.66 -4.23 -1.26 -4.95 115.64 120.13 2grj s THR 160 Ca 0.00 -0.11 -0.08 0.00 -1.18 0.00 0.00 61.69 60.32 2grj s THR 160 Cb 0.00 -3.64 0.18 0.00 1.34 0.00 0.00 72.50 70.38 2grj s THR 160 CO 0.00 -0.57 1.86 0.25 -0.54 0.00 0.00 174.62 175.62 2grj h LEU 161 N 0.21 1.01 -0.89 4.79 5.85 -2.00 -1.48 115.31 122.80 2grj h LEU 161 Ca -0.47 -0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.19 2grj h LEU 161 Cb 1.23 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 41.96 2grj h LEU 161 CO 0.60 0.79 0.58 -0.08 -0.34 0.00 0.00 178.44 180.00 2grj h GLU 162 N 1.15 1.15 -0.45 1.25 4.81 -1.99 0.12 114.58 120.63 2grj h GLU 162 Ca 0.30 -0.07 -0.09 0.00 -0.13 0.00 0.00 59.36 59.37 2grj h GLU 162 Cb -0.03 -0.26 -0.02 0.00 0.63 0.00 0.00 28.75 29.08 2grj h GLU 162 CO -0.05 0.76 -0.10 -0.44 -0.73 0.00 0.00 179.01 178.45 2grj h ASP 163 N 1.19 0.79 -0.51 1.04 3.32 -1.84 -1.41 116.42 119.00 2grj h ASP 163 Ca 0.33 -0.23 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 2grj h ASP 163 Cb -0.12 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.20 2grj h ASP 163 CO -0.08 0.92 0.27 0.25 -1.72 0.00 0.00 179.24 178.87 2grj h LEU 164 N 0.73 0.65 -0.97 1.55 5.85 -0.52 -1.81 115.31 120.78 2grj h LEU 164 Ca 0.12 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 2grj h LEU 164 Cb 0.58 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.40 2grj h LEU 164 CO 0.04 0.57 0.52 -0.33 -0.34 0.00 0.00 178.44 178.90 2grj h GLU 165 N 0.68 1.23 -0.72 1.25 5.08 -0.43 -0.69 114.58 120.98 2grj h GLU 165 Ca 0.18 -0.13 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 2grj h GLU 165 Cb 0.08 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 29.05 2grj h GLU 165 CO -0.03 0.88 0.33 0.87 -1.00 0.00 0.00 179.01 180.06 2grj h LYS 166 N 1.24 1.05 -0.53 2.33 6.56 -1.04 -1.65 116.57 124.53 2grj h LYS 166 Ca 0.32 -0.16 -0.11 0.00 -1.06 0.00 0.00 60.65 59.63 2grj h LYS 166 Cb -0.02 -0.18 -0.02 0.00 -0.57 0.00 0.00 32.23 31.44 2grj h LYS 166 CO -0.06 0.83 -0.12 0.87 -2.06 0.00 0.00 179.45 178.92 2grj h LYS 167 N 1.01 1.01 -0.61 3.15 1.57 -0.92 -1.97 116.57 119.81 2grj h LYS 167 Ca 0.25 -0.38 -0.07 0.00 -1.87 0.00 0.00 60.65 58.58 2grj h LYS 167 Cb 0.14 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 2grj h LYS 167 CO -0.03 1.06 0.10 0.28 -0.57 0.00 0.00 179.45 180.30 2grj h VAL 168 N 0.88 1.26 -0.47 0.50 2.07 -0.98 -1.78 116.25 117.72 2grj h VAL 168 Ca 0.13 -0.99 -0.00 0.00 0.82 0.00 0.00 66.70 66.66 2grj h VAL 168 Cb 0.68 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 2grj h VAL 168 CO 0.05 0.37 0.29 -0.08 0.02 0.00 0.00 177.57 178.22 2grj h GLU 169 N 0.91 0.64 -0.87 1.57 4.81 -1.18 -2.76 114.58 117.71 2grj h GLU 169 Ca 0.19 -0.06 0.02 0.00 -0.13 0.00 0.00 59.36 59.38 2grj h GLU 169 Cb 0.42 -0.14 -0.05 0.00 0.63 0.00 0.00 28.75 29.62 2grj h GLU 169 CO 0.01 0.47 0.57 0.93 -0.73 0.00 0.00 179.01 180.25 2grj h GLU 170 N 0.63 1.10 -1.22 1.92 4.39 -1.07 -0.46 114.58 119.88 2grj h GLU 170 Ca 0.17 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.80 2grj h GLU 170 Cb -0.01 -0.25 0.00 0.00 -0.10 0.00 0.00 28.75 28.39 2grj h GLU 170 CO -0.03 0.73 0.00 0.28 -1.16 0.00 0.00 179.01 178.83 2grj n VAL 171 N -4.51 0.17 0.00 3.13 0.31 -0.70 -2.43 118.33 114.31 2grj n VAL 171 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.43 2grj n VAL 171 Cb 0.05 -0.45 0.00 0.00 -0.91 0.00 0.00 33.84 32.53 2grj n VAL 171 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 2grj n LYS 173 N 0.70 0.00 -0.07 5.55 2.85 -0.18 -2.01 118.16 124.99 2grj n LYS 173 Ca 0.00 0.00 -0.13 0.00 -1.05 0.00 0.00 58.31 57.13 2grj n LYS 173 Cb 0.11 0.00 -0.06 0.00 -0.65 0.00 0.00 35.03 34.42 2grj n LYS 173 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 177.40 177.28 2grj h LEU 174 N 0.00 0.48 -1.32 -5.58 3.38 -1.75 -3.38 115.31 107.14 2grj h LEU 174 Ca 0.00 -0.47 0.00 0.00 0.09 0.00 0.00 57.88 57.50 2grj h LEU 174 Cb 0.00 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.62 2grj h LEU 174 CO 0.00 0.84 -0.09 1.33 0.09 0.00 0.00 178.44 180.62 2grj n VAL 175 N -4.49 0.00 -0.56 1.22 0.24 -0.85 -5.25 118.33 108.64 2grj n VAL 175 Ca -0.05 -0.46 0.00 0.00 -2.04 0.00 0.00 64.34 61.79 2grj n VAL 175 Cb 0.38 1.25 0.00 0.00 -1.47 0.00 0.00 33.84 34.00 2grj n VAL 175 CO 0.00 0.00 0.00 1.87 -2.14 0.00 0.00 176.83 176.56