#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 3.48 0.00 4.41 3.76 -1.26 -4.92 115.29 120.76 2grj s HIS -1 Ca 0.00 1.04 0.00 0.00 -0.15 0.00 0.00 55.06 55.95 2grj s HIS -1 Cb 0.00 -2.75 0.00 0.00 1.11 0.00 0.00 32.58 30.94 2grj s HIS -1 CO 0.00 -0.01 0.00 -2.39 -0.85 0.00 0.00 174.74 171.49 2grj n HIS 0 N 4.32 0.00 -3.53 1.40 -0.00 -1.26 -1.73 115.22 114.42 2grj n HIS 0 Ca -0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 57.72 57.69 2grj n HIS 0 Cb 0.51 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 30.44 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 0.18 -0.32 -0.15 0.61 1.01 -1.26 -4.91 120.40 115.56 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 0.02 0.00 0.00 0.00 0.00 36.38 35.40 2grj s VAL 2 CO 0.00 0.00 -0.15 -0.63 0.00 0.00 0.00 175.10 174.32 2grj s ILE 3 N 2.01 1.65 0.13 2.22 1.01 0.04 -0.19 121.20 128.06 2grj s ILE 3 Ca -0.06 -0.68 -0.23 0.00 0.00 0.00 0.00 60.65 59.68 2grj s ILE 3 Cb -0.05 -1.54 -0.07 0.00 0.01 0.00 0.00 42.46 40.80 2grj s ILE 3 CO -0.17 0.47 0.70 -0.83 0.00 0.00 0.00 174.94 175.12 2grj s GLY 4 N 1.44 2.83 -0.22 6.18 0.00 -0.19 -1.11 107.32 116.25 2grj s GLY 4 Ca 0.05 0.24 0.02 0.00 0.00 0.00 0.00 44.72 45.02 2grj s GLY 4 CO -0.11 0.74 -0.11 0.14 0.00 0.00 0.00 173.10 173.76 2grj s VAL 5 N -1.07 1.85 0.14 1.40 1.01 0.11 -0.11 120.40 123.73 2grj s VAL 5 Ca 0.33 -1.26 0.01 0.00 0.00 0.00 0.00 61.98 61.07 2grj s VAL 5 Cb -0.22 -1.94 -0.00 0.00 0.00 0.00 0.00 36.38 34.22 2grj s VAL 5 CO 0.23 0.09 0.05 1.07 0.00 0.00 0.00 175.10 176.55 2grj n THR 6 N 4.59 0.00 0.00 3.92 5.66 -0.10 -1.65 114.28 126.69 2grj n THR 6 Ca -0.15 -0.81 0.00 0.00 -3.05 0.00 0.00 64.05 60.04 2grj n THR 6 Cb 0.45 0.29 0.00 0.00 -1.55 0.00 0.00 70.33 69.52 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 1.33 3.80 3.68 1.09 0.00 -1.26 -0.68 105.19 113.15 2grj n GLY 7 Ca -0.02 -1.74 -0.30 0.00 0.00 0.00 0.00 46.02 43.95 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 -2.94 1.02 0.26 1.61 1.02 -1.26 -4.36 119.74 115.09 2grj s LYS 8 Ca 0.00 1.15 -0.30 0.00 0.02 0.00 0.00 55.97 56.84 2grj s LYS 8 Cb 0.00 -1.76 -0.14 0.00 -0.52 0.00 0.00 37.83 35.41 2grj s LYS 8 CO 0.00 -2.50 1.19 1.51 -0.92 0.00 0.00 175.35 174.63 2grj n ILE 9 N -4.10 1.48 -0.92 2.17 3.06 -1.26 -2.82 119.36 116.97 2grj n ILE 9 Ca 0.08 -0.37 0.00 0.00 -2.50 0.00 0.00 62.75 59.96 2grj n ILE 9 Cb 0.53 -1.18 0.00 0.00 0.54 0.00 0.00 39.64 39.53 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 1.56 0.68 0.13 4.50 0.00 -1.26 -4.89 105.19 105.91 2grj n GLY 10 Ca 0.10 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.01 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 1.47 0.00 2.61 1.35 -1.87 -3.43 112.91 113.04 2grj h THR 11 Ca 0.00 -2.67 0.00 0.00 -0.55 0.00 0.00 66.41 63.19 2grj h THR 11 Cb 0.06 2.55 0.00 0.00 -1.73 0.00 0.00 68.15 69.03 2grj h THR 11 CO 0.00 0.78 0.00 0.61 -0.25 0.00 0.00 175.52 176.66 2grj n GLY 12 N 1.04 0.29 0.28 5.82 0.00 -1.26 -4.72 105.19 106.64 2grj n GLY 12 Ca -0.05 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.30 -0.99 1.61 1.57 -1.89 0.12 116.57 116.69 2grj h LYS 13 Ca 0.00 0.02 0.07 0.00 -1.87 0.00 0.00 60.65 58.87 2grj h LYS 13 Cb 0.00 0.07 -0.07 0.00 0.08 0.00 0.00 32.23 32.31 2grj h LYS 13 CO 0.00 -0.20 0.64 0.77 -0.57 0.00 0.00 179.45 180.09 2grj h SER 14 N -0.31 1.02 -0.10 0.86 0.02 -1.97 0.26 113.55 113.33 2grj h SER 14 Ca 0.10 0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 61.03 2grj h SER 14 Cb 0.47 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.80 2grj h SER 14 CO -0.32 0.65 -0.09 0.74 -1.14 0.00 0.00 176.83 176.67 2grj h THR 15 N 1.15 1.35 -0.20 -2.27 2.02 -1.80 0.65 112.91 113.81 2grj h THR 15 Ca 0.43 -1.21 0.04 0.00 0.77 0.00 0.00 66.41 66.44 2grj h THR 15 Cb 0.19 1.93 -0.04 0.00 -1.74 0.00 0.00 68.15 68.49 2grj h THR 15 CO -0.17 0.34 -0.03 0.58 0.37 0.00 0.00 175.52 176.61 2grj h VAL 16 N -0.16 0.83 -0.88 3.16 2.07 -0.42 -2.32 116.25 118.53 2grj h VAL 16 Ca 0.02 -0.01 0.01 0.00 0.82 0.00 0.00 66.70 67.53 2grj h VAL 16 Cb 0.59 0.79 -0.04 0.00 -1.52 0.00 0.00 31.29 31.11 2grj h VAL 16 CO 0.02 0.01 0.57 0.00 0.02 0.00 0.00 177.57 178.19 2grj h GLU 18 N 1.19 1.02 0.20 0.00 4.39 -0.61 0.15 114.58 120.92 2grj h GLU 18 Ca 0.32 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.95 2grj h GLU 18 Cb -0.12 -0.23 0.00 0.00 -0.10 0.00 0.00 28.75 28.30 2grj h GLU 18 CO -0.07 0.67 -0.10 0.82 -1.16 0.00 0.00 179.01 179.18 2grj h ILE 19 N 1.05 0.88 -0.81 3.13 2.04 -0.74 -0.11 117.51 122.94 2grj h ILE 19 Ca 0.43 -0.45 0.15 0.00 1.00 0.00 0.00 64.86 65.98 2grj h ILE 19 Cb 0.25 1.15 -0.09 0.00 -0.74 0.00 0.00 36.82 37.38 2grj h ILE 19 CO -0.20 0.10 0.38 -0.07 0.00 0.00 0.00 178.15 178.37 2grj h LEU 20 N -0.50 0.43 -0.18 1.44 3.38 -0.74 0.19 115.31 119.33 2grj h LEU 20 Ca -0.03 0.10 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 2grj h LEU 20 Cb 0.38 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 2grj h LEU 20 CO 0.05 0.17 -0.03 0.50 0.09 0.00 0.00 178.44 179.22 2grj h LYS 21 N 0.55 0.34 0.09 1.13 3.64 -0.59 -0.74 116.57 120.99 2grj h LYS 21 Ca 0.44 -0.12 -0.28 0.00 -1.27 0.00 0.00 60.65 59.42 2grj h LYS 21 Cb 0.65 -0.02 0.02 0.00 -0.41 0.00 0.00 32.23 32.46 2grj h LYS 21 CO -0.38 0.59 -1.18 -0.91 -2.27 0.00 0.00 179.45 175.31 2grj h ASN 22 N 0.06 0.72 0.08 4.20 2.35 -0.44 -2.80 115.58 119.75 2grj h ASN 22 Ca 0.05 -0.66 -0.35 0.00 -0.55 0.00 0.00 56.30 54.79 2grj h ASN 22 Cb 0.46 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.58 2grj h ASN 22 CO 0.02 1.48 -1.93 0.29 -1.65 0.00 0.00 177.43 175.64 2grj n LYS 23 N -3.74 0.71 -0.00 0.81 4.76 0.61 -4.57 118.16 116.74 2grj n LYS 23 Ca -0.11 0.31 0.07 0.00 -2.87 0.00 0.00 58.31 55.71 2grj n LYS 23 Cb 0.96 -1.69 0.06 0.00 -1.84 0.00 0.00 35.03 32.52 2grj n LYS 23 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 2grj n TYR 24 N -3.68 0.00 -1.09 2.13 4.02 -0.37 -4.99 117.16 113.19 2grj n TYR 24 Ca -0.34 -0.00 -0.03 0.00 -0.01 0.00 0.00 57.90 57.51 2grj n TYR 24 Cb 0.97 -0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 40.27 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 0.81 0.62 3.76 2.72 0.00 -0.68 -4.93 105.19 107.48 2grj n GLY 25 Ca 0.08 -0.85 -0.38 0.00 0.00 0.00 0.00 46.02 44.87 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 -2.10 2.92 -0.41 4.61 0.00 -0.78 -4.70 121.76 121.29 2grj s ALA 26 Ca 0.00 1.25 -0.21 0.00 0.00 0.00 0.00 51.96 53.00 2grj s ALA 26 Cb 0.00 -3.52 0.02 0.00 0.00 0.00 0.00 23.12 19.61 2grj s ALA 26 CO 0.00 -1.17 0.66 -1.58 0.00 0.00 0.00 175.76 173.67 2grj s HIS 27 N -1.34 3.08 -0.28 0.00 2.46 0.23 -4.47 115.29 114.97 2grj s HIS 27 Ca 0.68 0.09 -0.18 0.00 0.47 0.00 0.00 55.06 56.12 2grj s HIS 27 Cb -0.38 -3.32 -0.02 0.00 -0.13 0.00 0.00 32.58 28.73 2grj s HIS 27 CO 0.46 -0.81 0.52 0.08 -2.47 0.00 0.00 174.74 172.51 2grj s VAL 28 N 2.84 5.06 -0.57 0.89 1.01 -1.26 -1.03 120.40 127.33 2grj s VAL 28 Ca 0.24 0.79 -0.19 0.00 0.00 0.00 0.00 61.98 62.81 2grj s VAL 28 Cb -0.14 -3.85 0.08 0.00 0.00 0.00 0.00 36.38 32.47 2grj s VAL 28 CO 0.18 0.03 0.71 -0.69 0.00 0.00 0.00 175.10 175.33 2grj s VAL 29 N 2.33 4.77 -0.70 2.92 1.01 0.15 -4.96 120.40 125.92 2grj s VAL 29 Ca 0.21 -0.75 -0.27 0.00 0.00 0.00 0.00 61.98 61.17 2grj s VAL 29 Cb -0.16 -4.45 0.02 0.00 0.00 0.00 0.00 36.38 31.79 2grj s VAL 29 CO 0.10 -1.06 1.45 0.21 0.00 0.00 0.00 175.10 175.79 2grj s ASN 30 N 3.33 5.91 0.41 3.32 3.84 -1.26 -1.35 114.94 129.13 2grj s ASN 30 Ca 0.14 -0.23 0.19 0.00 0.21 0.00 0.00 52.86 53.17 2grj s ASN 30 Cb -0.22 -2.55 0.86 0.00 -0.55 0.00 0.00 41.25 38.79 2grj s ASN 30 CO 0.09 -1.99 1.84 0.58 -2.79 0.00 0.00 177.10 174.82 2grj h VAL 31 N 6.28 0.93 0.14 -5.21 2.07 -1.79 -2.41 116.25 116.26 2grj h VAL 31 Ca -0.27 -1.23 -0.01 0.00 0.82 0.00 0.00 66.70 66.01 2grj h VAL 31 Cb 1.08 1.73 0.00 0.00 -1.52 0.00 0.00 31.29 32.58 2grj h VAL 31 CO 1.26 0.31 -0.07 0.44 0.02 0.00 0.00 177.57 179.54 2grj h ASP 32 N 0.00 -0.17 -0.84 0.57 3.32 -1.90 -1.66 116.42 115.75 2grj h ASP 32 Ca -0.00 0.01 0.06 0.00 0.02 0.00 0.00 57.03 57.12 2grj h ASP 32 Cb 0.70 0.05 -0.06 0.00 0.22 0.00 0.00 39.33 40.24 2grj h ASP 32 CO 0.04 -0.12 0.51 0.03 -1.72 0.00 0.00 179.24 177.99 2grj h ARG 33 N -0.19 0.91 -0.90 3.56 -0.00 -1.89 -0.71 114.38 115.16 2grj h ARG 33 Ca -0.02 -0.05 -0.00 0.00 -0.50 0.00 0.00 59.98 59.41 2grj h ARG 33 Cb 0.15 -0.20 -0.04 0.00 0.00 0.00 0.00 29.97 29.87 2grj h ARG 33 CO 0.03 0.60 0.56 0.82 0.00 0.00 0.00 179.97 181.98 2grj h ILE 34 N 0.94 1.24 -0.60 2.04 2.04 -1.32 -1.14 117.51 120.70 2grj h ILE 34 Ca 0.37 -0.50 0.09 0.00 1.00 0.00 0.00 64.86 65.82 2grj h ILE 34 Cb 0.17 -0.04 -0.07 0.00 -0.74 0.00 0.00 36.82 36.14 2grj h ILE 34 CO -0.17 0.25 0.21 1.23 0.00 0.00 0.00 178.15 179.66 2grj h GLY 35 N 1.23 0.83 1.32 5.37 0.00 -0.19 -0.84 103.07 110.78 2grj h GLY 35 Ca 0.32 -0.10 -0.00 0.00 0.00 0.00 0.00 47.33 47.55 2grj h GLY 35 CO -0.06 -0.03 0.41 0.45 0.00 0.00 0.00 176.54 177.30 2grj h HIS 36 N 0.38 0.88 -0.20 5.60 3.86 -0.02 -0.07 115.15 125.58 2grj h HIS 36 Ca 0.30 0.00 -0.19 0.00 -1.16 0.00 0.00 60.37 59.33 2grj h HIS 36 Cb 0.38 -0.29 0.00 0.00 1.06 0.00 0.00 27.41 28.56 2grj h HIS 36 CO -0.18 0.59 -0.64 0.93 0.86 0.00 0.00 177.93 179.49 2grj h GLU 37 N 0.93 0.72 -0.54 2.45 5.08 -0.91 -3.18 114.58 119.12 2grj h GLU 37 Ca 0.24 -0.50 -0.08 0.00 -1.00 0.00 0.00 59.36 58.02 2grj h GLU 37 Cb -0.04 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 2grj h GLU 37 CO -0.05 1.12 0.02 0.28 -1.00 0.00 0.00 179.01 179.39 2grj h VAL 38 N 0.53 1.25 -0.53 3.13 2.07 -0.53 -3.02 116.25 119.16 2grj h VAL 38 Ca -0.01 -1.04 0.10 0.00 0.82 0.00 0.00 66.70 66.57 2grj h VAL 38 Cb 1.23 0.81 -0.08 0.00 -1.52 0.00 0.00 31.29 31.73 2grj h VAL 38 CO 0.13 0.37 0.07 -0.07 0.02 0.00 0.00 177.57 178.09 2grj h LEU 39 N 0.85 -0.08 -1.66 2.57 3.38 -1.01 -0.66 115.31 118.70 2grj h LEU 39 Ca 0.16 0.11 -0.04 0.00 0.09 0.00 0.00 57.88 58.20 2grj h LEU 39 Cb 0.47 0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 2grj h LEU 39 CO 0.02 -0.02 -0.18 -0.33 0.09 0.00 0.00 178.44 178.02 2grj h GLU 40 N 0.19 0.00 0.00 1.13 4.39 -1.52 -2.13 114.58 116.64 2grj h GLU 40 Ca 0.27 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.97 2grj h GLU 40 Cb 0.39 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.04 2grj h GLU 40 CO -0.38 0.18 0.00 0.93 -1.16 0.00 0.00 179.01 178.58 2grj h GLU 41 N 0.00 0.00 -0.02 2.33 3.07 -1.05 -3.25 114.58 115.66 2grj h GLU 41 Ca -0.00 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.85 2grj h GLU 41 Cb 0.34 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.24 2grj h GLU 41 CO 0.02 0.00 -0.48 1.33 -1.40 0.00 0.00 179.01 178.48 2grj n VAL 42 N -3.03 2.23 -0.31 3.13 0.24 -0.82 -4.83 118.33 114.94 2grj n VAL 42 Ca 0.02 -3.23 -0.00 0.00 -2.04 0.00 0.00 64.34 59.09 2grj n VAL 42 Cb 0.36 -0.24 0.06 0.00 -1.47 0.00 0.00 33.84 32.54 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 1.00 -0.04 -0.45 7.34 1.57 -1.57 -1.17 116.57 123.25 2grj h LYS 43 Ca 0.01 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 2grj h LYS 43 Cb 1.03 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.33 2grj h LYS 43 CO 0.02 -0.03 0.17 0.93 -0.57 0.00 0.00 179.45 179.97 2grj h GLU 44 N -0.04 0.68 -0.34 3.15 4.39 -1.91 -1.53 114.58 118.99 2grj h GLU 44 Ca 0.35 -0.13 -0.10 0.00 0.34 0.00 0.00 59.36 59.81 2grj h GLU 44 Cb 0.60 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.13 2grj h GLU 44 CO -0.89 0.63 -0.22 0.87 -1.16 0.00 0.00 179.01 178.25 2grj h LYS 45 N 0.59 0.65 -0.42 2.33 1.57 -1.80 -1.51 116.57 117.97 2grj h LYS 45 Ca 0.15 -0.25 0.02 0.00 -1.87 0.00 0.00 60.65 58.70 2grj h LYS 45 Cb 0.21 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.46 2grj h LYS 45 CO -0.01 0.82 0.25 -0.07 -0.57 0.00 0.00 179.45 179.87 2grj h LEU 46 N 0.57 0.42 -0.43 2.94 3.38 -0.87 -0.39 115.31 120.94 2grj h LEU 46 Ca 0.08 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 2grj h LEU 46 Cb 0.68 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 2grj h LEU 46 CO 0.05 0.30 0.26 0.58 0.09 0.00 0.00 178.44 179.72 2grj h VAL 47 N 0.51 1.14 -0.35 1.22 2.07 -1.01 0.21 116.25 120.04 2grj h VAL 47 Ca 0.17 -0.33 -0.00 0.00 0.82 0.00 0.00 66.70 67.35 2grj h VAL 47 Cb -0.00 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.33 2grj h VAL 47 CO -0.07 0.14 0.21 -0.33 0.02 0.00 0.00 177.57 177.55 2grj h GLU 48 N 0.57 0.47 0.10 1.57 3.07 -0.99 0.74 114.58 120.11 2grj h GLU 48 Ca 0.15 -0.03 -0.14 0.00 -0.50 0.00 0.00 59.36 58.84 2grj h GLU 48 Cb 0.01 -0.10 0.01 0.00 -0.84 0.00 0.00 28.75 27.83 2grj h GLU 48 CO -0.03 0.33 -0.63 -0.07 -1.40 0.00 0.00 179.01 177.21 2grj h LEU 49 N 0.48 0.34 -1.39 1.33 3.38 -0.41 -3.42 115.31 115.62 2grj h LEU 49 Ca 0.13 -0.96 0.00 0.00 0.09 0.00 0.00 57.88 57.14 2grj h LEU 49 Cb -0.02 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.62 2grj h LEU 49 CO -0.02 1.30 0.00 0.49 0.09 0.00 0.00 178.44 180.30 2grj n PHE 50 N -4.25 0.01 0.00 1.13 3.72 0.68 -5.10 117.46 113.65 2grj n PHE 50 Ca -0.13 -0.09 0.00 0.00 -0.05 0.00 0.00 57.45 57.17 2grj n PHE 50 Cb 0.74 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.27 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 -0.04 -0.75 0.22 1.37 0.00 0.25 -4.55 105.19 101.69 2grj n GLY 51 Ca 0.01 -1.70 0.15 0.00 0.00 0.00 0.00 46.02 44.48 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 1.42 -0.02 0.00 -1.93 -3.20 103.07 99.34 2grj h GLY 52 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.40 2grj h GLY 52 CO 0.00 0.00 0.22 1.48 0.00 0.00 0.00 176.54 178.24 2grj h SER 53 N 0.00 0.00 0.00 0.19 4.64 -1.96 -2.39 113.55 114.03 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 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 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 -4.07 0.00 -4.45 0.95 0.24 -1.21 -4.80 118.33 104.99 2grj n VAL 54 Ca 0.03 0.00 -0.24 0.00 -2.04 0.00 0.00 64.34 62.09 2grj n VAL 54 Cb 0.37 -0.21 -0.08 0.00 -1.47 0.00 0.00 33.84 32.45 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 -0.69 1.92 0.08 1.34 1.43 -0.90 -1.44 118.68 120.42 2grj s LEU 55 Ca 0.00 -1.75 0.00 0.00 -1.03 0.00 0.00 54.13 51.35 2grj s LEU 55 Cb 0.00 0.15 0.00 0.00 0.03 0.00 0.00 46.19 46.37 2grj s LEU 55 CO 0.00 -1.02 0.00 1.21 0.23 0.00 0.00 176.35 176.77 2grj n GLU 56 N -0.86 0.00 0.00 1.70 2.13 -1.18 -4.77 120.64 117.67 2grj n GLU 56 Ca -0.02 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.80 2grj n GLU 56 Cb 0.64 -0.12 0.00 0.00 0.27 0.00 0.00 31.44 32.23 2grj n GLU 56 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2grj n ASP 57 N -2.92 0.00 -0.10 4.31 8.00 -1.26 -5.02 116.55 119.56 2grj n ASP 57 Ca 0.00 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.36 2grj n ASP 57 Cb 0.00 -0.09 -0.05 0.00 -0.02 0.00 0.00 41.12 40.96 2grj n ASP 57 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2grj n GLY 58 N 3.19 -0.59 3.67 0.44 0.00 -1.26 -5.06 105.19 105.57 2grj n GLY 58 Ca 0.00 -0.24 -0.29 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.69 -0.26 0.15 1.61 0.00 -1.26 -5.02 119.74 112.27 2grj s LYS 59 Ca -0.29 0.15 -0.30 0.00 0.00 0.00 0.00 55.97 55.53 2grj s LYS 59 Cb 0.06 -1.69 -0.07 0.00 0.00 0.00 0.00 37.83 36.14 2grj s LYS 59 CO 0.42 -3.12 0.96 0.08 0.00 0.00 0.00 175.35 173.70 2grj s VAL 60 N -3.08 4.35 -0.38 1.79 1.01 -1.26 -3.07 120.40 119.75 2grj s VAL 60 Ca 0.68 2.06 -0.08 0.00 0.00 0.00 0.00 61.98 64.65 2grj s VAL 60 Cb -0.13 -4.31 0.06 0.00 0.00 0.00 0.00 36.38 31.99 2grj s VAL 60 CO 0.56 0.37 0.18 0.21 0.00 0.00 0.00 175.10 176.42 2grj s ASN 61 N -0.35 5.47 0.41 3.32 3.84 -0.52 -4.93 114.94 122.18 2grj s ASN 61 Ca 0.45 -1.34 0.14 0.00 0.21 0.00 0.00 52.86 52.32 2grj s ASN 61 Cb -0.24 -1.92 0.88 0.00 -0.55 0.00 0.00 41.25 39.41 2grj s ASN 61 CO 0.31 -0.43 1.91 0.03 -2.79 0.00 0.00 177.10 176.13 2grj h ARG 62 N 8.29 0.00 0.15 0.43 3.08 -1.97 -1.48 114.38 122.88 2grj h ARG 62 Ca -0.22 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.82 2grj h ARG 62 Cb 1.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.13 2grj h ARG 62 CO 0.67 0.27 -0.07 0.87 -1.07 0.00 0.00 179.97 180.64 2grj h LYS 63 N 0.00 -0.20 -0.31 0.04 6.56 -1.97 0.52 116.57 121.22 2grj h LYS 63 Ca -0.00 0.01 -0.06 0.00 -1.06 0.00 0.00 60.65 59.54 2grj h LYS 63 Cb 0.49 0.04 -0.02 0.00 -0.57 0.00 0.00 32.23 32.17 2grj h LYS 63 CO 0.04 -0.03 -0.07 0.87 -2.06 0.00 0.00 179.45 178.20 2grj h LYS 64 N -0.32 0.50 -0.12 3.15 1.57 -1.79 -1.13 116.57 118.42 2grj h LYS 64 Ca -0.02 -0.12 -0.13 0.00 -1.87 0.00 0.00 60.65 58.51 2grj h LYS 64 Cb 0.26 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.51 2grj h LYS 64 CO 0.03 0.58 -0.42 1.25 -0.57 0.00 0.00 179.45 180.32 2grj h LEU 65 N 0.47 0.58 -0.97 2.94 5.85 -1.17 -2.95 115.31 120.05 2grj h LEU 65 Ca 0.09 -0.61 0.09 0.00 0.84 0.00 0.00 57.88 58.29 2grj h LEU 65 Cb 0.41 -0.17 -0.07 0.00 0.37 0.00 0.00 40.66 41.20 2grj h LEU 65 CO 0.02 1.09 0.61 0.00 -0.34 0.00 0.00 178.44 179.82 2grj h ALA 66 N 0.51 1.39 -0.85 1.25 0.00 -0.68 0.61 119.26 121.49 2grj h ALA 66 Ca -0.02 -0.00 0.12 0.00 0.00 0.00 0.00 54.91 55.01 2grj h ALA 66 Cb 1.04 -0.25 -0.06 0.00 0.00 0.00 0.00 17.79 18.52 2grj h ALA 66 CO 0.09 0.32 0.55 0.78 0.00 0.00 0.00 179.25 180.99 2grj h GLY 67 N 1.06 1.15 0.00 0.00 0.00 -1.10 -1.45 103.07 102.72 2grj h GLY 67 Ca 0.44 -0.31 -0.02 0.00 0.00 0.00 0.00 47.33 47.44 2grj h GLY 67 CO -0.21 0.14 -0.18 -2.22 0.00 0.00 0.00 176.54 174.07 2grj h ILE 68 N 0.73 0.84 0.00 2.60 2.04 -1.12 -3.38 117.51 119.22 2grj h ILE 68 Ca 0.41 -1.68 -0.13 0.00 1.00 0.00 0.00 64.86 64.46 2grj h ILE 68 Cb 0.58 1.64 -0.02 0.00 -0.74 0.00 0.00 36.82 38.28 2grj h ILE 68 CO -0.18 0.29 -0.63 -0.37 0.00 0.00 0.00 178.15 177.25 2grj h VAL 69 N -1.00 1.45 -0.26 1.67 -1.51 -0.84 -2.86 116.25 112.90 2grj h VAL 69 Ca -0.04 -2.18 0.00 0.00 -1.23 0.00 0.00 66.70 63.25 2grj h VAL 69 Cb 0.60 2.18 0.00 0.00 -2.13 0.00 0.00 31.29 31.94 2grj h VAL 69 CO -0.02 0.62 0.00 0.49 -1.23 0.00 0.00 177.57 177.43 2grj n PHE 70 N -3.77 0.76 0.75 5.19 3.72 -0.56 -3.00 117.46 120.55 2grj n PHE 70 Ca -0.01 -0.28 0.09 0.00 -0.05 0.00 0.00 57.45 57.19 2grj n PHE 70 Cb 0.63 -0.20 -0.11 0.00 -0.94 0.00 0.00 39.48 38.87 2grj n PHE 70 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 176.76 175.86 2grj n GLU 71 N 0.31 1.00 -3.74 -1.08 0.28 -1.08 -4.98 120.64 111.35 2grj n GLU 71 Ca 0.11 -0.02 -0.12 0.00 -0.16 0.00 0.00 57.16 56.97 2grj n GLU 71 Cb 0.55 -1.36 -0.11 0.00 1.43 0.00 0.00 31.44 31.94 2grj n GLU 71 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 2grj s SER 72 N -2.87 -0.37 0.26 -1.84 1.04 -1.16 -5.03 113.70 103.72 2grj s SER 72 Ca 0.05 0.70 -0.02 0.00 0.48 0.00 0.00 55.95 57.16 2grj s SER 72 Cb 0.13 0.67 0.32 0.00 0.10 0.00 0.00 66.02 67.24 2grj s SER 72 CO 0.74 -0.14 1.76 0.03 0.98 0.00 0.00 173.24 176.61 2grj h ARG 73 N 6.15 0.82 -0.22 4.02 3.08 -1.95 -2.13 114.38 124.15 2grj h ARG 73 Ca -0.31 -0.22 0.01 0.00 0.07 0.00 0.00 59.98 59.54 2grj h ARG 73 Cb 1.18 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 31.12 2grj h ARG 73 CO 0.31 0.81 0.12 1.49 -1.07 0.00 0.00 179.97 181.63 2grj h GLU 74 N 0.77 0.24 -0.49 0.04 4.57 -1.96 -0.06 114.58 117.70 2grj h GLU 74 Ca 0.15 -0.01 -0.06 0.00 -1.18 0.00 0.00 59.36 58.26 2grj h GLU 74 Cb 0.44 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.95 2grj h GLU 74 CO 0.02 0.16 0.06 -0.91 -1.18 0.00 0.00 179.01 177.16 2grj h ASN 75 N 0.25 0.79 -0.79 1.04 2.35 -1.83 -2.01 115.58 115.39 2grj h ASN 75 Ca 0.09 -0.27 -0.00 0.00 -0.55 0.00 0.00 56.30 55.57 2grj h ASN 75 Cb 0.01 -0.21 -0.04 0.00 0.05 0.00 0.00 38.32 38.13 2grj h ASN 75 CO -0.05 0.86 0.49 0.25 -1.65 0.00 0.00 177.43 177.32 2grj h LEU 76 N 0.69 0.93 -0.84 1.61 5.85 -1.20 -2.27 115.31 120.08 2grj h LEU 76 Ca 0.15 -0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.77 2grj h LEU 76 Cb 0.42 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 2grj h LEU 76 CO 0.01 0.71 0.31 0.50 -0.34 0.00 0.00 178.44 179.64 2grj h LYS 77 N 1.07 1.17 -0.57 1.25 1.63 -0.69 -1.00 116.57 119.43 2grj h LYS 77 Ca 0.28 -0.21 0.05 0.00 -0.85 0.00 0.00 60.65 59.93 2grj h LYS 77 Cb -0.06 -0.19 -0.05 0.00 -0.60 0.00 0.00 32.23 31.33 2grj h LYS 77 CO -0.06 0.94 0.29 0.87 -3.45 0.00 0.00 179.45 178.05 2grj h LYS 78 N 1.14 0.54 -0.24 1.90 1.57 -0.87 -0.61 116.57 120.00 2grj h LYS 78 Ca 0.26 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.95 2grj h LYS 78 Cb 0.21 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 2grj h LYS 78 CO -0.02 0.36 -0.06 1.25 -0.57 0.00 0.00 179.45 180.40 2grj h LEU 79 N 0.56 0.47 -0.44 2.94 5.85 -0.97 -2.97 115.31 120.76 2grj h LEU 79 Ca 0.26 -0.37 0.05 0.00 0.84 0.00 0.00 57.88 58.66 2grj h LEU 79 Cb 0.17 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.03 2grj h LEU 79 CO -0.18 0.73 0.16 -0.33 -0.34 0.00 0.00 178.44 178.49 2grj h GLU 80 N 0.20 0.33 0.00 1.25 5.08 -0.89 -0.53 114.58 120.02 2grj h GLU 80 Ca 0.06 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 2grj h GLU 80 Cb 0.53 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.71 2grj h GLU 80 CO 0.03 0.22 -0.07 -0.07 -1.00 0.00 0.00 179.01 178.12 2grj h LEU 81 N 0.34 0.00 0.08 1.33 3.38 -1.14 -0.16 115.31 119.14 2grj h LEU 81 Ca 0.20 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 58.00 2grj h LEU 81 Cb 0.19 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.96 2grj h LEU 81 CO -0.20 0.07 -0.74 0.25 0.09 0.00 0.00 178.44 177.90 2grj h LEU 82 N 0.00 0.51 0.00 1.67 5.85 -1.10 -3.42 115.31 118.81 2grj h LEU 82 Ca -0.00 -0.87 -0.29 0.00 0.84 0.00 0.00 57.88 57.56 2grj h LEU 82 Cb 0.12 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 40.93 2grj h LEU 82 CO 0.01 1.33 -2.24 1.33 -0.34 0.00 0.00 178.44 178.53 2grj n VAL 83 N -4.15 1.09 -0.00 1.05 0.24 -0.31 -4.59 118.33 111.66 2grj n VAL 83 Ca -0.12 -0.75 -0.11 0.00 -2.04 0.00 0.00 64.34 61.32 2grj n VAL 83 Cb 0.77 -0.41 -0.05 0.00 -1.47 0.00 0.00 33.84 32.67 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 0.11 -0.68 6.34 3.86 -1.25 -2.92 115.15 120.62 2grj h HIS 84 Ca -0.43 0.00 0.13 0.00 -1.16 0.00 0.00 60.37 58.91 2grj h HIS 84 Cb 1.97 -0.04 -0.09 0.00 1.06 0.00 0.00 27.41 30.31 2grj h HIS 84 CO 0.00 0.07 0.21 -1.35 0.86 0.00 0.00 177.93 177.73 2grj h PRO 85 N 0.12 0.34 -1.04 2.45 0.11 -1.83 -0.35 132.00 131.82 2grj h PRO 85 Ca 0.04 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.13 2grj h PRO 85 Cb -0.01 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.02 2grj h PRO 85 CO -0.01 0.23 0.00 1.28 -0.21 0.00 0.00 178.00 179.28 2grj n LEU 86 N -5.07 0.39 0.00 2.35 4.32 -1.10 -1.87 117.00 116.02 2grj n LEU 86 Ca 0.12 -0.20 0.00 0.00 -0.02 0.00 0.00 56.01 55.91 2grj n LEU 86 Cb 0.37 -0.10 0.00 0.00 -1.62 0.00 0.00 43.42 42.07 2grj n LEU 86 CO 0.18 0.07 0.00 1.17 -1.22 0.00 0.00 177.39 177.59 2grj n LYS 88 N 0.67 0.00 -0.26 3.23 4.81 -0.14 -1.95 118.16 124.51 2grj n LYS 88 Ca 0.00 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 57.41 2grj n LYS 88 Cb 0.07 0.00 0.09 0.00 0.02 0.00 0.00 35.03 35.21 2grj n LYS 88 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 2grj h LYS 89 N 0.00 0.86 -0.56 1.64 1.57 -1.63 -0.72 116.57 117.73 2grj h LYS 89 Ca 0.00 -0.05 -0.11 0.00 -1.87 0.00 0.00 60.65 58.62 2grj h LYS 89 Cb 0.00 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.10 2grj h LYS 89 CO 0.00 0.57 -0.08 -0.09 -0.57 0.00 0.00 179.45 179.28 2grj h ARG 90 N 0.89 1.05 0.10 3.15 9.65 -1.66 -0.86 114.38 126.69 2grj h ARG 90 Ca 0.30 -0.37 -0.00 0.00 -1.10 0.00 0.00 59.98 58.80 2grj h ARG 90 Cb 0.04 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 28.54 2grj h ARG 90 CO -0.12 1.07 -0.05 0.28 2.80 0.00 0.00 179.97 183.96 2grj h VAL 91 N 0.93 0.98 -0.75 0.20 2.07 -1.74 -2.43 116.25 115.52 2grj h VAL 91 Ca 0.15 -0.28 0.13 0.00 0.82 0.00 0.00 66.70 67.52 2grj h VAL 91 Cb 0.65 1.17 -0.09 0.00 -1.52 0.00 0.00 31.29 31.50 2grj h VAL 91 CO 0.05 0.07 0.33 -0.61 0.02 0.00 0.00 177.57 177.42 2grj h GLN 92 N -0.26 0.49 -0.53 1.57 5.75 -0.96 -1.38 115.11 119.80 2grj h GLN 92 Ca -0.01 -0.03 -0.06 0.00 -0.15 0.00 0.00 58.65 58.40 2grj h GLN 92 Cb 0.21 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 28.63 2grj h GLN 92 CO 0.02 0.32 0.09 0.93 -2.65 0.00 0.00 178.83 177.54 2grj h GLU 93 N 0.50 0.83 -0.09 1.69 4.39 -0.94 -1.33 114.58 119.62 2grj h GLU 93 Ca 0.40 -0.19 -0.01 0.00 0.34 0.00 0.00 59.36 59.91 2grj h GLU 93 Cb 0.57 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 29.10 2grj h GLU 93 CO -0.37 0.77 0.01 0.82 -1.16 0.00 0.00 179.01 179.09 2grj h ILE 94 N 0.79 1.22 -0.51 3.13 2.04 -0.86 -2.63 117.51 120.69 2grj h ILE 94 Ca 0.17 -0.69 0.10 0.00 1.00 0.00 0.00 64.86 65.44 2grj h ILE 94 Cb 0.35 1.51 -0.09 0.00 -0.74 0.00 0.00 36.82 37.85 2grj h ILE 94 CO 0.01 0.20 -0.02 0.40 0.00 0.00 0.00 178.15 178.73 2grj h ILE 95 N -0.09 0.57 0.00 -0.67 2.04 -1.06 -1.82 117.51 116.48 2grj h ILE 95 Ca 0.03 -0.03 -0.03 0.00 1.00 0.00 0.00 64.86 65.83 2grj h ILE 95 Cb 0.30 0.47 -0.00 0.00 -0.74 0.00 0.00 36.82 36.84 2grj h ILE 95 CO 0.00 0.02 -0.14 0.78 0.00 0.00 0.00 178.15 178.81 2grj h ASN 96 N 0.09 0.00 -0.53 1.72 4.21 -1.11 -2.61 115.58 117.36 2grj h ASN 96 Ca 0.26 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.77 2grj h ASN 96 Cb 0.40 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.60 2grj h ASN 96 CO -0.45 0.14 0.00 0.29 -1.29 0.00 0.00 177.43 176.12 2grj n LYS 97 N -3.72 2.53 -4.84 0.81 5.02 -0.74 -4.88 118.16 112.35 2grj n LYS 97 Ca -0.02 -2.35 -0.26 0.00 -2.02 0.00 0.00 58.31 53.66 2grj n LYS 97 Cb 0.26 -1.52 -0.16 0.00 -0.02 0.00 0.00 35.03 33.58 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 -1.31 1.44 0.28 -0.18 2.01 -0.89 -5.07 115.64 111.92 2grj s THR 98 Ca 0.42 -0.73 0.07 0.00 0.31 0.00 0.00 61.69 61.77 2grj s THR 98 Cb 0.23 -1.24 -0.03 0.00 0.01 0.00 0.00 72.50 71.48 2grj s THR 98 CO 0.32 0.41 0.26 -0.44 -0.69 0.00 0.00 174.62 174.48 2grj s SER 99 N 0.01 5.58 0.00 3.53 0.01 -1.26 -4.68 113.70 116.89 2grj s SER 99 Ca -0.03 -0.27 0.00 0.00 1.31 0.00 0.00 55.95 56.96 2grj s SER 99 Cb -0.11 -1.34 0.00 0.00 0.21 0.00 0.00 66.02 64.78 2grj s SER 99 CO 0.02 -0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.13 2grj n GLY 100 N -1.29 -0.37 3.65 3.44 0.00 -0.70 -4.80 105.19 105.12 2grj n GLY 100 Ca -0.06 -1.31 -0.42 0.00 0.00 0.00 0.00 46.02 44.23 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 4.09 -0.11 0.99 2.96 -1.26 -4.40 118.68 120.95 2grj s LEU 101 Ca 0.00 1.15 0.02 0.00 -0.22 0.00 0.00 54.13 55.09 2grj s LEU 101 Cb 0.00 -3.30 -0.01 0.00 0.50 0.00 0.00 46.19 43.38 2grj s LEU 101 CO 0.00 -0.56 -0.20 -0.63 -1.32 0.00 0.00 176.35 173.64 2grj s ILE 102 N 2.93 2.46 -0.14 6.68 1.01 -1.26 -0.60 121.20 132.27 2grj s ILE 102 Ca 0.38 -0.88 0.01 0.00 0.00 0.00 0.00 60.65 60.17 2grj s ILE 102 Cb -0.15 -1.98 -0.00 0.00 0.01 0.00 0.00 42.46 40.34 2grj s ILE 102 CO 0.07 0.55 -0.18 -0.69 0.00 0.00 0.00 174.94 174.69 2grj s VAL 103 N 0.35 2.50 -0.44 2.92 1.01 -0.19 -0.78 120.40 125.76 2grj s VAL 103 Ca -0.16 -0.84 -0.11 0.00 0.00 0.00 0.00 61.98 60.87 2grj s VAL 103 Cb -0.17 -2.03 0.08 0.00 0.00 0.00 0.00 36.38 34.26 2grj s VAL 103 CO 0.08 0.53 0.32 -0.63 0.00 0.00 0.00 175.10 175.40 2grj s ILE 104 N 0.66 4.58 -0.38 2.22 1.01 -0.26 0.32 121.20 129.34 2grj s ILE 104 Ca -0.09 -1.33 -0.20 0.00 0.00 0.00 0.00 60.65 59.02 2grj s ILE 104 Cb -0.16 -3.80 0.01 0.00 0.01 0.00 0.00 42.46 38.52 2grj s ILE 104 CO 0.02 -0.57 0.63 -0.70 0.00 0.00 0.00 174.94 174.32 2grj s GLU 105 N 1.49 3.55 -0.30 2.79 2.12 -0.46 -0.71 118.70 127.18 2grj s GLU 105 Ca 0.04 -0.10 -0.10 0.00 0.36 0.00 0.00 54.97 55.17 2grj s GLU 105 Cb -0.24 -3.85 0.13 0.00 0.26 0.00 0.00 34.13 30.43 2grj s GLU 105 CO 0.03 -0.81 0.67 0.00 -0.54 0.00 0.00 175.26 174.61 2grj s ALA 106 N 2.71 -2.10 0.33 6.30 0.00 -0.66 -1.98 121.76 126.36 2grj s ALA 106 Ca 0.23 2.31 0.09 0.00 0.00 0.00 0.00 51.96 54.60 2grj s ALA 106 Cb -0.14 -1.81 0.82 0.00 0.00 0.00 0.00 23.12 21.99 2grj s ALA 106 CO 0.16 -0.94 1.80 0.00 0.00 0.00 0.00 175.76 176.77 2grj h ALA 107 N 7.97 1.81 -0.98 0.00 0.00 -1.80 -2.52 119.26 123.74 2grj h ALA 107 Ca -0.18 0.06 -0.60 0.00 0.00 0.00 0.00 54.91 54.20 2grj h ALA 107 Cb 1.10 -0.07 -0.30 0.00 0.00 0.00 0.00 17.79 18.52 2grj h ALA 107 CO 0.10 -0.16 0.73 1.28 0.00 0.00 0.00 179.25 181.20 2grj n LEU 108 N -4.70 7.16 -0.13 0.00 4.77 -1.26 -4.29 117.00 118.55 2grj n LEU 108 Ca 0.22 -3.99 -0.04 0.00 -0.03 0.00 0.00 56.01 52.17 2grj n LEU 108 Cb 0.61 -0.90 0.02 0.00 -2.33 0.00 0.00 43.42 40.82 2grj n LEU 108 CO 0.24 1.30 0.76 0.25 -1.33 0.00 0.00 177.39 178.60 2grj h LEU 109 N 1.55 -0.49 -0.06 2.23 5.85 -1.82 -2.74 115.31 119.83 2grj h LEU 109 Ca 0.61 0.14 -0.03 0.00 0.84 0.00 0.00 57.88 59.44 2grj h LEU 109 Cb 1.74 0.30 -0.00 0.00 0.37 0.00 0.00 40.66 43.07 2grj h LEU 109 CO 1.34 -0.17 -0.06 0.50 -0.34 0.00 0.00 178.44 179.70 2grj h LYS 110 N -0.04 0.15 -1.94 1.25 3.64 -1.88 -0.85 116.57 116.91 2grj h LYS 110 Ca 0.21 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 2grj h LYS 110 Cb 0.36 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 2grj h LYS 110 CO -0.46 0.60 0.00 -2.13 -2.27 0.00 0.00 179.45 175.19 2grj n ARG 111 N -4.73 0.00 -0.26 1.90 0.63 -1.03 -4.49 116.66 108.68 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 0.30 -1.43 0.00 0.00 0.45 0.00 0.00 32.46 31.78 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 1.08 0.00 0.20 5.14 0.00 -1.16 -5.14 105.19 105.31 2grj n GLY 113 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 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 -2.00 0.99 3.38 -1.39 -3.12 115.31 113.18 2grj h LEU 114 Ca 0.00 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.09 2grj h LEU 114 Cb 1.10 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.83 2grj h LEU 114 CO 0.00 0.30 0.31 -2.24 0.09 0.00 0.00 178.44 176.90 2grj h ASP 115 N 0.00 0.00 0.25 -0.43 2.03 -1.78 -0.67 116.42 115.82 2grj h ASP 115 Ca -0.00 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 56.29 2grj h ASP 115 Cb 0.93 -0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.43 2grj h ASP 115 CO 0.04 0.00 -0.04 1.56 -1.03 0.00 0.00 179.24 179.77 2grj h GLN 116 N 0.00 0.00 -0.00 4.15 1.08 -1.87 -1.90 115.11 116.57 2grj h GLN 116 Ca 0.20 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.40 2grj h GLN 116 Cb 0.82 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.25 2grj h GLN 116 CO -0.00 0.04 -0.14 1.28 -0.95 0.00 0.00 178.83 179.05 2grj n LEU 117 N -3.42 0.34 -4.87 1.46 4.77 -0.26 -4.93 117.00 110.09 2grj n LEU 117 Ca -0.02 0.14 -0.37 0.00 -0.03 0.00 0.00 56.01 55.72 2grj n LEU 117 Cb 0.16 -0.27 -0.06 0.00 -2.33 0.00 0.00 43.42 40.92 2grj n LEU 117 CO 0.26 0.07 -0.09 0.00 -1.33 0.00 0.00 177.39 176.29 2grj h ASP 119 N 4.89 0.33 -5.14 0.00 3.32 -0.88 -3.46 116.42 115.47 2grj h ASP 119 Ca -0.54 -0.28 -0.11 0.00 0.02 0.00 0.00 57.03 56.12 2grj h ASP 119 Cb 1.23 -0.10 -0.16 0.00 0.22 0.00 0.00 39.33 40.51 2grj h ASP 119 CO 0.59 1.10 -0.53 -1.00 -1.72 0.00 0.00 179.24 177.68 2grj s HIS 120 N -3.15 0.27 -0.06 4.55 3.76 -1.09 -5.05 115.29 114.52 2grj s HIS 120 Ca -0.04 -0.67 0.04 0.00 -0.15 0.00 0.00 55.06 54.24 2grj s HIS 120 Cb 0.09 -0.19 0.00 0.00 1.11 0.00 0.00 32.58 33.60 2grj s HIS 120 CO 0.84 -0.41 -0.16 0.08 -0.85 0.00 0.00 174.74 174.24 2grj s VAL 121 N -3.25 1.42 -0.17 -0.90 1.01 -1.26 -1.02 120.40 116.22 2grj s VAL 121 Ca 0.00 -0.68 -0.05 0.00 0.00 0.00 0.00 61.98 61.25 2grj s VAL 121 Cb 0.03 -1.24 -0.03 0.00 0.00 0.00 0.00 36.38 35.13 2grj s VAL 121 CO -0.08 0.41 0.01 -0.63 0.00 0.00 0.00 175.10 174.82 2grj s ILE 122 N 0.31 4.25 -0.23 2.22 1.01 0.84 -0.92 121.20 128.69 2grj s ILE 122 Ca -0.10 -0.23 -0.08 0.00 0.00 0.00 0.00 60.65 60.24 2grj s ILE 122 Cb -0.14 -2.89 -0.04 0.00 0.01 0.00 0.00 42.46 39.40 2grj s ILE 122 CO 0.04 0.47 0.09 -0.89 0.00 0.00 0.00 174.94 174.64 2grj s THR 123 N 0.48 4.65 -0.08 2.92 2.01 -0.15 -0.93 115.64 124.55 2grj s THR 123 Ca -0.01 -0.07 -0.22 0.00 0.31 0.00 0.00 61.69 61.70 2grj s THR 123 Cb -0.14 -3.15 -0.04 0.00 0.01 0.00 0.00 72.50 69.19 2grj s THR 123 CO 0.02 0.37 0.66 -0.69 -0.69 0.00 0.00 174.62 174.29 2grj s VAL 124 N 1.17 5.07 0.17 3.82 1.01 0.15 -0.59 120.40 131.20 2grj s VAL 124 Ca 0.05 1.36 0.08 0.00 0.00 0.00 0.00 61.98 63.47 2grj s VAL 124 Cb -0.14 -4.00 -0.04 0.00 0.00 0.00 0.00 36.38 32.19 2grj s VAL 124 CO 0.04 0.26 -0.18 0.68 0.00 0.00 0.00 175.10 175.90 2grj s VAL 125 N 0.83 1.82 0.00 2.92 -7.23 -0.54 -4.18 120.40 114.02 2grj s VAL 125 Ca 0.35 -1.98 -0.28 0.00 -1.81 0.00 0.00 61.98 58.26 2grj s VAL 125 Cb -0.17 -1.89 0.08 0.00 0.56 0.00 0.00 36.38 34.96 2grj s VAL 125 CO 0.16 -0.37 0.72 0.00 -0.31 0.00 0.00 175.10 175.31 2grj s ALA 126 N -2.22 -1.75 0.72 1.32 0.00 -1.26 -1.00 121.76 117.58 2grj s ALA 126 Ca 0.17 1.08 -0.15 0.00 0.00 0.00 0.00 51.96 53.06 2grj s ALA 126 Cb -0.05 0.21 0.03 0.00 0.00 0.00 0.00 23.12 23.32 2grj s ALA 126 CO 0.07 -0.51 1.19 -1.54 0.00 0.00 0.00 175.76 174.96 2grj s SER 127 N -1.77 4.34 0.17 0.00 1.04 -1.26 -4.79 113.70 111.42 2grj s SER 127 Ca -0.05 2.28 -0.14 0.00 0.48 0.00 0.00 55.95 58.52 2grj s SER 127 Cb -0.00 -2.58 0.11 0.00 0.10 0.00 0.00 66.02 63.64 2grj s SER 127 CO 0.00 -2.16 1.77 -0.09 0.98 0.00 0.00 173.24 173.74 2grj h ARG 128 N -0.27 0.39 -0.83 4.02 2.43 -2.01 0.25 114.38 118.36 2grj h ARG 128 Ca -0.47 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 58.67 2grj h ARG 128 Cb 1.29 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 30.71 2grj h ARG 128 CO 0.50 0.26 0.50 0.93 -1.51 0.00 0.00 179.97 180.65 2grj h GLU 129 N 0.40 1.12 -0.20 0.20 3.07 -1.99 -0.12 114.58 117.05 2grj h GLU 129 Ca 0.20 -0.10 -0.01 0.00 -0.50 0.00 0.00 59.36 58.95 2grj h GLU 129 Cb 0.14 -0.24 -0.01 0.00 -0.84 0.00 0.00 28.75 27.81 2grj h GLU 129 CO -0.16 0.79 0.09 1.15 -1.40 0.00 0.00 179.01 179.47 2grj h THR 130 N 1.14 1.15 -0.55 1.13 2.02 -1.76 -2.28 112.91 113.76 2grj h THR 130 Ca 0.30 -0.44 0.02 0.00 0.77 0.00 0.00 66.41 67.06 2grj h THR 130 Cb -0.05 1.07 -0.03 0.00 -1.74 0.00 0.00 68.15 67.40 2grj h THR 130 CO -0.06 0.14 0.34 0.40 0.37 0.00 0.00 175.52 176.71 2grj h ILE 131 N 0.19 1.08 -0.42 3.11 2.04 -0.14 -2.70 117.51 120.66 2grj h ILE 131 Ca 0.07 -0.23 -0.07 0.00 1.00 0.00 0.00 64.86 65.62 2grj h ILE 131 Cb 0.15 0.35 -0.02 0.00 -0.74 0.00 0.00 36.82 36.55 2grj h ILE 131 CO -0.01 0.12 -0.04 -0.07 0.00 0.00 0.00 178.15 178.15 2grj h LEU 132 N 0.67 0.68 -1.76 1.44 3.38 -0.95 -1.83 115.31 116.94 2grj h LEU 132 Ca 0.22 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 2grj h LEU 132 Cb -0.00 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 2grj h LEU 132 CO -0.09 0.78 -0.14 0.11 0.09 0.00 0.00 178.44 179.19 2grj h LYS 133 N 0.65 0.00 0.07 1.13 6.56 -1.09 -3.30 116.57 120.59 2grj h LYS 133 Ca 0.13 0.00 -0.34 0.00 -1.06 0.00 0.00 60.65 59.37 2grj h LYS 133 Cb 0.47 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 32.10 2grj h LYS 133 CO 0.02 0.14 -1.94 0.54 -2.06 0.00 0.00 179.45 176.15 2grj n ARG 134 N -4.28 0.71 -4.40 3.15 1.74 -0.78 -4.95 116.66 107.85 2grj n ARG 134 Ca -0.03 0.26 -0.22 0.00 -0.77 0.00 0.00 57.85 57.09 2grj n ARG 134 Cb 0.21 -1.72 -0.16 0.00 -1.02 0.00 0.00 32.46 29.77 2grj n ARG 134 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 2grj s ASN 135 N -6.62 1.38 0.28 0.55 3.84 -0.76 -5.04 114.94 108.57 2grj s ASN 135 Ca -0.17 -0.22 0.22 0.00 0.21 0.00 0.00 52.86 52.90 2grj s ASN 135 Cb 0.07 -0.64 0.12 0.00 -0.55 0.00 0.00 41.25 40.25 2grj s ASN 135 CO 0.78 -0.00 1.25 0.08 -2.79 0.00 0.00 177.10 176.43 2grj h ARG 136 N 7.01 0.00 0.00 0.43 0.11 -1.88 -3.16 114.38 116.89 2grj h ARG 136 Ca -0.34 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.74 2grj h ARG 136 Cb 1.17 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.25 2grj h ARG 136 CO 0.48 0.05 -0.03 0.39 0.10 0.00 0.00 179.97 180.95 2grj n GLU 137 N -2.87 0.01 -0.13 0.08 1.02 -1.26 -4.34 120.64 113.14 2grj n GLU 137 Ca 0.01 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.06 2grj n GLU 137 Cb 0.57 -1.51 -0.01 0.00 -0.02 0.00 0.00 31.44 30.48 2grj n GLU 137 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2grj h ALA 138 N 2.99 0.52 -0.81 0.62 0.00 -1.90 -1.56 119.26 119.11 2grj h ALA 138 Ca 0.00 -0.18 0.19 0.00 0.00 0.00 0.00 54.91 54.92 2grj h ALA 138 Cb 0.50 -0.15 -0.15 0.00 0.00 0.00 0.00 17.79 18.00 2grj h ALA 138 CO 0.00 0.17 -0.02 0.22 0.00 0.00 0.00 179.25 179.62 2grj h ASP 139 N 0.49 -0.44 0.56 0.00 1.82 -1.80 0.38 116.42 117.43 2grj h ASP 139 Ca 0.13 0.22 -0.27 0.00 -0.39 0.00 0.00 57.03 56.72 2grj h ASP 139 Cb 0.28 0.40 0.01 0.00 0.68 0.00 0.00 39.33 40.70 2grj h ASP 139 CO -0.00 -0.23 -1.18 -0.09 -1.61 0.00 0.00 179.24 176.13 2grj h ARG 140 N 0.07 0.31 0.00 0.28 2.43 -1.79 -3.39 114.38 112.30 2grj h ARG 140 Ca 0.45 -0.47 -0.08 0.00 -0.81 0.00 0.00 59.98 59.06 2grj h ARG 140 Cb 0.80 0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 30.51 2grj h ARG 140 CO -0.75 1.20 -1.48 0.54 -1.51 0.00 0.00 179.97 177.97 2grj n ARG 141 N -3.59 0.63 -0.09 0.20 1.74 -0.61 -3.95 116.66 111.00 2grj n ARG 141 Ca -0.08 0.06 0.09 0.00 -0.77 0.00 0.00 57.85 57.15 2grj n ARG 141 Cb 0.98 -1.72 0.46 0.00 -1.02 0.00 0.00 32.46 31.16 2grj n ARG 141 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2grj h LEU 142 N 0.00 0.45 -2.30 0.55 3.38 -1.14 -0.86 115.31 115.39 2grj h LEU 142 Ca -0.09 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.92 2grj h LEU 142 Cb 1.27 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 2grj h LEU 142 CO 0.02 0.28 0.15 0.11 0.09 0.00 0.00 178.44 179.09 2grj h LYS 143 N 0.51 0.00 -0.54 1.13 1.57 -1.78 0.62 116.57 118.07 2grj h LYS 143 Ca 0.26 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 59.00 2grj h LYS 143 Cb 0.38 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 2grj h LYS 143 CO -0.08 0.00 0.04 1.19 -0.57 0.00 0.00 179.45 180.04 2grj n PHE 144 N -3.78 1.93 -0.83 -1.35 3.72 -0.33 -4.33 117.46 112.49 2grj n PHE 144 Ca 0.00 -0.85 0.03 0.00 -0.05 0.00 0.00 57.45 56.58 2grj n PHE 144 Cb 0.26 -0.51 0.04 0.00 -0.94 0.00 0.00 39.48 38.33 2grj n PHE 144 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 2grj n GLN 145 N 0.26 1.44 0.26 -1.08 6.02 0.21 -4.80 117.38 119.68 2grj n GLN 145 Ca 0.29 -1.55 0.15 0.00 -0.01 0.00 0.00 57.00 55.88 2grj n GLN 145 Cb 1.18 -0.97 0.85 0.00 1.02 0.00 0.00 30.24 32.32 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 -1.75 -1.11 114.58 115.69 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 0.89 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.14 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 -3.93 0.70 -4.47 1.42 5.75 -1.26 -4.59 116.55 110.18 2grj n ASP 147 Ca -0.01 -1.29 -0.44 0.00 -0.01 0.00 0.00 54.79 53.04 2grj n ASP 147 Cb 0.17 -0.01 -0.02 0.00 -1.03 0.00 0.00 41.12 40.23 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 4.72 0.18 2.12 1.01 -0.42 -4.95 121.20 121.87 2grj s ILE 148 Ca 0.41 -1.80 0.05 0.00 0.00 0.00 0.00 60.65 59.31 2grj s ILE 148 Cb 0.20 -4.85 -0.04 0.00 0.01 0.00 0.00 42.46 37.78 2grj s ILE 148 CO 0.33 -1.59 0.17 0.68 0.00 0.00 0.00 174.94 174.53 2grj s VAL 149 N 2.64 4.59 0.21 2.92 -7.23 -1.26 -4.74 120.40 117.52 2grj s VAL 149 Ca 0.37 -1.08 -0.32 0.00 -1.81 0.00 0.00 61.98 59.13 2grj s VAL 149 Cb -0.04 -3.37 -0.13 0.00 0.56 0.00 0.00 36.38 33.41 2grj s VAL 149 CO -0.06 -0.15 1.60 -2.65 -0.31 0.00 0.00 175.10 173.52 2grj n PRO 150 N -0.51 2.41 -3.93 4.82 -0.02 -1.26 -4.99 135.00 131.51 2grj n PRO 150 Ca -0.08 0.86 -0.10 0.00 -2.02 0.00 0.00 63.50 62.17 2grj n PRO 150 Cb 0.55 -2.64 -0.10 0.00 -0.02 0.00 0.00 33.50 31.30 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 0.53 0.53 7.30 -0.52 -2.07 -1.26 -5.08 119.66 119.09 2grj s GLN 151 Ca 0.73 -0.68 0.00 0.00 -1.82 0.00 0.00 55.36 53.59 2grj s GLN 151 Cb -0.59 0.21 0.00 0.00 -1.09 0.00 0.00 33.01 31.53 2grj s GLN 151 CO 0.40 -0.13 0.00 0.41 -1.32 0.00 0.00 175.29 174.65 2grj n GLY 152 N 0.99 2.33 3.48 2.60 0.00 -1.26 -3.37 105.19 109.96 2grj n GLY 152 Ca -0.20 -0.33 -0.38 0.00 0.00 0.00 0.00 46.02 45.10 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 4.77 -0.17 -0.61 1.01 -0.09 -4.91 121.20 121.19 2grj s ILE 153 Ca 0.00 -0.22 -0.19 0.00 0.00 0.00 0.00 60.65 60.24 2grj s ILE 153 Cb 0.00 -3.36 -0.03 0.00 0.01 0.00 0.00 42.46 39.08 2grj s ILE 153 CO 0.00 0.15 0.52 -0.69 0.00 0.00 0.00 174.94 174.93 2grj s VAL 154 N 1.66 5.12 -0.33 2.92 1.01 -1.26 -0.97 120.40 128.54 2grj s VAL 154 Ca 0.06 0.99 -0.00 0.00 0.00 0.00 0.00 61.98 63.02 2grj s VAL 154 Cb -0.16 -3.85 0.08 0.00 0.00 0.00 0.00 36.38 32.44 2grj s VAL 154 CO 0.07 0.21 0.05 -0.69 0.00 0.00 0.00 175.10 174.75 2grj s VAL 155 N 1.36 2.82 0.09 2.92 1.01 0.25 -4.96 120.40 123.89 2grj s VAL 155 Ca 0.25 -1.80 -0.31 0.00 0.00 0.00 0.00 61.98 60.13 2grj s VAL 155 Cb -0.15 -2.80 -0.07 0.00 0.00 0.00 0.00 36.38 33.36 2grj s VAL 155 CO 0.10 -0.36 1.25 0.00 0.00 0.00 0.00 175.10 176.09 2grj s ALA 156 N 1.13 3.45 -0.54 5.51 0.00 -1.26 -1.46 121.76 128.58 2grj s ALA 156 Ca 0.01 0.93 0.07 0.00 0.00 0.00 0.00 51.96 52.97 2grj s ALA 156 Cb -0.20 -3.46 0.29 0.00 0.00 0.00 0.00 23.12 19.74 2grj s ALA 156 CO -0.04 -0.47 0.77 -1.71 0.00 0.00 0.00 175.76 174.31 2grj n ASN 157 N 3.75 3.00 -0.46 0.00 5.15 -0.17 -4.85 115.26 121.69 2grj n ASN 157 Ca 0.09 -3.34 0.05 0.00 -0.60 0.00 0.00 54.58 50.78 2grj n ASN 157 Cb 0.45 -0.62 0.13 0.00 -0.53 0.00 0.00 39.78 39.21 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 0.53 2.79 0.00 1.20 3.02 -1.26 -4.74 115.26 116.80 2grj n ASN 158 Ca 0.28 -2.28 0.00 0.00 -0.03 0.00 0.00 54.58 52.55 2grj n ASN 158 Cb 0.46 -0.24 0.00 0.00 -0.61 0.00 0.00 39.78 39.38 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 -0.12 0.00 -4.94 6.41 3.41 -1.26 -5.08 113.62 112.05 2grj n SER 159 Ca 0.11 0.00 -0.25 0.00 -0.26 0.00 0.00 58.87 58.47 2grj n SER 159 Cb 0.48 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.46 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 3.56 3.41 0.18 6.66 -4.23 -1.26 -4.98 115.64 118.99 2grj s THR 160 Ca 0.00 -0.28 -0.10 0.00 -1.18 0.00 0.00 61.69 60.13 2grj s THR 160 Cb 0.00 -3.33 0.10 0.00 1.34 0.00 0.00 72.50 70.61 2grj s THR 160 CO 0.00 -0.29 1.73 0.25 -0.54 0.00 0.00 174.62 175.77 2grj h LEU 161 N -0.04 0.92 -0.81 4.79 5.85 -2.00 -1.98 115.31 122.05 2grj h LEU 161 Ca -0.45 -0.18 0.04 0.00 0.84 0.00 0.00 57.88 58.12 2grj h LEU 161 Cb 1.27 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 42.01 2grj h LEU 161 CO 0.58 0.86 0.52 -0.08 -0.34 0.00 0.00 178.44 179.98 2grj h GLU 162 N 0.94 0.96 -0.60 1.25 4.57 -1.99 0.24 114.58 119.95 2grj h GLU 162 Ca 0.22 -0.06 -0.09 0.00 -1.18 0.00 0.00 59.36 58.25 2grj h GLU 162 Cb 0.24 -0.22 -0.02 0.00 -0.16 0.00 0.00 28.75 28.59 2grj h GLU 162 CO -0.01 0.64 0.02 -0.44 -1.18 0.00 0.00 179.01 178.03 2grj h ASP 163 N 0.99 1.01 -0.44 1.04 3.32 -1.92 -1.13 116.42 119.30 2grj h ASP 163 Ca 0.33 -0.27 -0.02 0.00 0.02 0.00 0.00 57.03 57.09 2grj h ASP 163 Cb 0.04 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.30 2grj h ASP 163 CO -0.13 1.05 0.20 0.25 -1.72 0.00 0.00 179.24 178.89 2grj h LEU 164 N 0.95 0.59 -0.91 1.55 5.85 -0.67 -1.99 115.31 120.68 2grj h LEU 164 Ca 0.17 -0.14 0.05 0.00 0.84 0.00 0.00 57.88 58.80 2grj h LEU 164 Cb 0.52 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.34 2grj h LEU 164 CO 0.03 0.57 0.58 -0.33 -0.34 0.00 0.00 178.44 178.94 2grj h GLU 165 N 0.57 1.04 -0.40 1.25 5.08 -0.27 -0.70 114.58 121.14 2grj h GLU 165 Ca 0.15 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2grj h GLU 165 Cb 0.15 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 2grj h GLU 165 CO -0.02 0.69 0.23 -0.22 -1.00 0.00 0.00 179.01 178.70 2grj h LYS 166 N 1.07 0.56 -0.70 2.33 1.63 -0.93 -1.65 116.57 118.88 2grj h LYS 166 Ca 0.38 -0.06 -0.07 0.00 -0.85 0.00 0.00 60.65 60.06 2grj h LYS 166 Cb 0.11 -0.11 -0.03 0.00 -0.60 0.00 0.00 32.23 31.60 2grj h LYS 166 CO -0.16 0.43 0.18 0.87 -3.45 0.00 0.00 179.45 177.32 2grj h LYS 167 N 0.53 1.11 -0.53 1.90 1.57 -0.80 -1.46 116.57 118.89 2grj h LYS 167 Ca 0.14 -0.26 -0.11 0.00 -1.87 0.00 0.00 60.65 58.56 2grj h LYS 167 Cb 0.03 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.17 2grj h LYS 167 CO -0.03 0.98 -0.09 0.28 -0.57 0.00 0.00 179.45 180.02 2grj h VAL 168 N 1.06 1.26 -0.71 0.50 2.07 -0.94 -0.87 116.25 118.63 2grj h VAL 168 Ca 0.22 -1.22 -0.03 0.00 0.82 0.00 0.00 66.70 66.49 2grj h VAL 168 Cb 0.36 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 2grj h VAL 168 CO 0.00 0.43 0.33 -0.08 0.02 0.00 0.00 177.57 178.27 2grj h GLU 169 N 0.87 1.03 -0.35 1.57 4.81 -1.01 -2.79 114.58 118.71 2grj h GLU 169 Ca 0.14 -0.16 -0.09 0.00 -0.13 0.00 0.00 59.36 59.13 2grj h GLU 169 Cb 0.63 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.81 2grj h GLU 169 CO 0.04 0.82 -0.14 0.93 -0.73 0.00 0.00 179.01 179.93 2grj h GLU 170 N 1.00 0.62 -1.22 1.92 5.08 -0.71 -0.20 114.58 121.06 2grj h GLU 170 Ca 0.24 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2grj h GLU 170 Cb 0.14 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.34 2grj h GLU 170 CO -0.03 0.74 0.00 0.28 -1.00 0.00 0.00 179.01 179.00 2grj n VAL 171 N -4.17 0.17 0.00 3.13 0.31 -0.38 -2.64 118.33 114.75 2grj n VAL 171 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 2grj n VAL 171 Cb 0.36 -0.46 0.00 0.00 -0.91 0.00 0.00 33.84 32.83 2grj n VAL 171 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2grj n LYS 173 N 0.69 0.00 -0.05 5.55 5.02 -0.09 -1.93 118.16 127.35 2grj n LYS 173 Ca 0.00 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.14 2grj n LYS 173 Cb 0.11 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.05 2grj n LYS 173 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 2grj h LEU 174 N 0.00 0.55 -1.20 -0.35 3.38 -1.78 -3.37 115.31 112.54 2grj h LEU 174 Ca 0.00 -0.57 0.00 0.00 0.09 0.00 0.00 57.88 57.40 2grj h LEU 174 Cb 0.00 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.59 2grj h LEU 174 CO 0.00 1.02 -0.14 1.33 0.09 0.00 0.00 178.44 180.74 2grj n VAL 175 N -4.35 0.00 -1.20 1.22 0.24 -0.81 -5.25 118.33 108.18 2grj n VAL 175 Ca -0.07 -0.43 0.00 0.00 -2.04 0.00 0.00 64.34 61.80 2grj n VAL 175 Cb 0.50 1.24 0.00 0.00 -1.47 0.00 0.00 33.84 34.11 2grj n VAL 175 CO 0.00 0.00 0.00 1.87 -2.14 0.00 0.00 176.83 176.56