#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d2c s ASN 4 N 0.00 4.29 0.67 0.41 0.01 -1.26 -4.99 114.94 114.07 3d2c s ASN 4 Ca 0.00 1.26 -0.16 0.00 -0.71 0.00 0.00 52.86 53.25 3d2c s ASN 4 Cb 0.00 -1.96 0.01 0.00 0.41 0.00 0.00 41.25 39.71 3d2c s ASN 4 CO 0.00 -2.09 1.16 -2.84 -1.51 0.00 0.00 177.10 171.81 3d2c s PRO 5 N -5.17 2.59 -0.13 -0.60 0.02 -1.26 -4.67 135.00 125.78 3d2c s PRO 5 Ca 0.61 1.59 0.00 0.00 0.02 0.00 0.00 61.00 63.23 3d2c s PRO 5 Cb -0.15 -1.91 -0.01 0.00 0.02 0.00 0.00 34.50 32.46 3d2c s PRO 5 CO 0.54 -1.45 -0.15 0.08 -0.33 0.00 0.00 177.00 175.70 3d2c s VAL 6 N -2.09 2.85 -0.23 3.83 1.01 -0.53 -0.97 120.40 124.27 3d2c s VAL 6 Ca 0.71 -0.73 -0.07 0.00 0.00 0.00 0.00 61.98 61.90 3d2c s VAL 6 Cb -0.25 -2.19 -0.03 0.00 0.00 0.00 0.00 36.38 33.91 3d2c s VAL 6 CO 0.41 0.52 0.05 -0.69 0.00 0.00 0.00 175.10 175.39 3d2c s VAL 7 N 0.49 4.20 -0.23 2.92 1.01 -0.07 -0.09 120.40 128.62 3d2c s VAL 7 Ca -0.10 -0.22 -0.09 0.00 0.00 0.00 0.00 61.98 61.58 3d2c s VAL 7 Cb -0.16 -2.94 -0.04 0.00 0.00 0.00 0.00 36.38 33.23 3d2c s VAL 7 CO 0.04 0.37 0.11 -0.04 0.00 0.00 0.00 175.10 175.59 3d2c s MET 8 N 1.40 3.93 -0.26 2.72 -1.94 0.11 -1.99 119.30 123.26 3d2c s MET 8 Ca 0.05 -0.35 -0.03 0.00 -1.71 0.00 0.00 55.69 53.66 3d2c s MET 8 Cb -0.15 -3.40 0.03 0.00 2.01 0.00 0.00 34.83 33.32 3d2c s MET 8 CO 0.03 0.04 -0.03 0.08 -0.01 0.00 0.00 175.02 175.12 3d2c s VAL 9 N 1.06 3.08 0.73 -6.03 1.01 0.04 -1.90 120.40 118.40 3d2c s VAL 9 Ca 0.06 -1.02 -0.10 0.00 0.00 0.00 0.00 61.98 60.92 3d2c s VAL 9 Cb -0.14 -2.60 0.05 0.00 0.00 0.00 0.00 36.38 33.70 3d2c s VAL 9 CO 0.04 0.14 1.08 -1.38 0.00 0.00 0.00 175.10 174.98 3d2c s HIS 10 N 1.34 3.05 0.00 5.22 -3.43 -1.26 -0.79 115.29 119.42 3d2c s HIS 10 Ca -0.00 0.71 0.00 0.00 -0.80 0.00 0.00 55.06 54.97 3d2c s HIS 10 Cb -0.17 -3.24 0.00 0.00 -1.43 0.00 0.00 32.58 27.74 3d2c s HIS 10 CO -0.03 -1.44 0.00 0.41 -2.00 0.00 0.00 174.74 171.68 3d2c n GLY 11 N -3.06 3.38 3.62 -1.38 0.00 -1.12 -3.55 105.19 103.09 3d2c n GLY 11 Ca 0.07 -1.95 -0.51 0.00 0.00 0.00 0.00 46.02 43.64 3d2c n GLY 11 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3d2c n ILE 12 N 0.00 0.03 -0.92 -0.61 2.08 -1.26 -0.64 119.36 118.05 3d2c n ILE 12 Ca 0.00 -0.01 -0.01 0.00 0.56 0.00 0.00 62.75 63.29 3d2c n ILE 12 Cb 0.00 -1.07 -0.00 0.00 -0.75 0.00 0.00 39.64 37.81 3d2c n ILE 12 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3d2c n GLY 13 N 2.92 0.11 3.69 7.39 0.00 0.11 -4.93 105.19 114.47 3d2c n GLY 13 Ca 0.19 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.95 3d2c n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d2c n GLY 14 N 0.81 -0.72 3.43 -0.02 0.00 0.19 -5.11 105.19 103.77 3d2c n GLY 14 Ca -0.01 -1.82 -0.09 0.00 0.00 0.00 0.00 46.02 44.09 3d2c n GLY 14 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3d2c s SER 15 N -5.37 -0.10 0.53 1.61 0.15 -1.26 -4.89 113.70 104.39 3d2c s SER 15 Ca 0.69 -0.70 0.24 0.00 0.70 0.00 0.00 55.95 56.88 3d2c s SER 15 Cb -0.02 0.51 1.48 0.00 -1.71 0.00 0.00 66.02 66.27 3d2c s SER 15 CO 0.47 -0.98 2.14 0.77 1.20 0.00 0.00 173.24 176.85 3d2c h SER 16 N 2.38 0.00 0.57 5.45 4.64 -1.91 -0.65 113.55 124.03 3d2c h SER 16 Ca -0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 3d2c h SER 16 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3d2c h SER 16 CO 0.43 0.07 0.00 0.77 -0.87 0.00 0.00 176.83 177.22 3d2c h SER 17 N 0.00 0.00 0.07 4.97 4.64 -1.96 -2.51 113.55 118.76 3d2c h SER 17 Ca -0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3d2c h SER 17 Cb 0.15 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.24 3d2c h SER 17 CO 0.01 0.00 -0.01 0.78 -0.87 0.00 0.00 176.83 176.74 3d2c h ASN 18 N 0.00 0.00 -0.65 4.97 2.35 -1.52 -2.70 115.58 118.03 3d2c h ASN 18 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3d2c h ASN 18 Cb 0.29 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.66 3d2c h ASN 18 CO 0.00 0.01 0.00 0.49 -1.65 0.00 0.00 177.43 176.28 3d2c n PHE 19 N -3.43 1.37 -0.30 1.19 3.72 -0.94 -4.51 117.46 114.55 3d2c n PHE 19 Ca -0.03 -0.56 -0.04 0.00 -0.05 0.00 0.00 57.45 56.77 3d2c n PHE 19 Cb 0.10 -0.20 0.08 0.00 -0.94 0.00 0.00 39.48 38.52 3d2c n PHE 19 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 3d2c h GLU 20 N 4.03 1.10 -0.08 -1.08 4.39 -1.67 0.82 114.58 122.09 3d2c h GLU 20 Ca 0.00 -0.08 -0.01 0.00 0.34 0.00 0.00 59.36 59.62 3d2c h GLU 20 Cb 1.33 -0.24 -0.00 0.00 -0.10 0.00 0.00 28.75 29.74 3d2c h GLU 20 CO 0.19 0.74 0.02 0.78 -1.16 0.00 0.00 179.01 179.58 3d2c h GLY 21 N 1.13 0.15 1.21 -3.84 0.00 -1.83 -1.14 103.07 98.75 3d2c h GLY 21 Ca 0.30 -0.09 -0.04 0.00 0.00 0.00 0.00 47.33 47.50 3d2c h GLY 21 CO -0.06 0.09 0.28 -2.22 0.00 0.00 0.00 176.54 174.63 3d2c h ILE 22 N -0.08 1.23 -0.23 2.60 2.04 -1.69 -1.06 117.51 120.33 3d2c h ILE 22 Ca 0.03 -0.72 -0.01 0.00 1.00 0.00 0.00 64.86 65.15 3d2c h ILE 22 Cb 0.25 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 36.72 3d2c h ILE 22 CO 0.00 0.29 0.09 0.50 0.00 0.00 0.00 178.15 179.03 3d2c h LYS 23 N 0.99 0.34 -0.46 2.37 3.64 -0.69 0.16 116.57 122.93 3d2c h LYS 23 Ca 0.23 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.55 3d2c h LYS 23 Cb 0.18 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.92 3d2c h LYS 23 CO -0.02 0.40 0.28 0.77 -2.27 0.00 0.00 179.45 178.61 3d2c h SER 24 N 0.22 0.54 0.07 4.20 0.02 -0.97 -1.74 113.55 115.90 3d2c h SER 24 Ca 0.08 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 3d2c h SER 24 Cb 0.18 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 3d2c h SER 24 CO -0.01 0.42 -0.08 0.22 -1.14 0.00 0.00 176.83 176.25 3d2c h TYR 25 N 0.61 -0.20 -0.57 3.45 3.20 -0.94 -1.82 116.97 120.70 3d2c h TYR 25 Ca 0.16 0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.10 3d2c h TYR 25 Cb -0.03 0.08 -0.06 0.00 1.54 0.00 0.00 36.73 38.26 3d2c h TYR 25 CO -0.03 -0.12 0.26 -0.07 -1.64 0.00 0.00 178.16 176.55 3d2c h LEU 26 N -0.17 0.33 -0.63 2.82 3.38 -0.76 -1.60 115.31 118.68 3d2c h LEU 26 Ca 0.01 0.05 0.04 0.00 0.09 0.00 0.00 57.88 58.07 3d2c h LEU 26 Cb 0.17 -0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.87 3d2c h LEU 26 CO -0.03 0.22 0.37 0.58 0.09 0.00 0.00 178.44 179.67 3d2c h VAL 27 N 0.48 1.02 0.00 1.22 2.07 -1.05 -0.06 116.25 119.93 3d2c h VAL 27 Ca 0.27 -0.24 -0.00 0.00 0.82 0.00 0.00 66.70 67.54 3d2c h VAL 27 Cb 0.24 0.25 -0.00 0.00 -1.52 0.00 0.00 31.29 30.27 3d2c h VAL 27 CO -0.22 0.13 -0.00 0.77 0.02 0.00 0.00 177.57 178.27 3d2c h SER 28 N 0.71 0.00 -0.34 0.57 4.64 -0.45 -2.04 113.55 116.63 3d2c h SER 28 Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 3d2c h SER 28 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 3d2c h SER 28 CO -0.14 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.82 3d2c n GLN 29 N -3.10 2.26 0.00 4.77 1.13 -0.10 -4.94 117.38 117.40 3d2c n GLN 29 Ca -0.02 -1.90 0.00 0.00 -1.94 0.00 0.00 57.00 53.14 3d2c n GLN 29 Cb 0.17 -1.47 0.00 0.00 0.11 0.00 0.00 30.24 29.05 3d2c n GLN 29 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3d2c n GLY 30 N 1.38 1.40 3.78 1.08 0.00 -0.77 -5.07 105.19 107.00 3d2c n GLY 30 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 3d2c n GLY 30 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3d2c s TRP 31 N -2.04 3.18 -0.13 1.61 0.51 -0.83 -4.99 118.94 116.24 3d2c s TRP 31 Ca 0.00 1.62 -0.28 0.00 -2.12 0.00 0.00 56.10 55.32 3d2c s TRP 31 Cb 0.00 -3.17 -0.01 0.00 -0.81 0.00 0.00 33.47 29.48 3d2c s TRP 31 CO 0.00 -0.80 0.95 0.45 -0.51 0.00 0.00 176.95 177.04 3d2c s SER 32 N -1.55 7.14 0.29 2.95 0.15 -1.26 -4.16 113.70 117.25 3d2c s SER 32 Ca 0.59 1.40 0.02 0.00 0.70 0.00 0.00 55.95 58.67 3d2c s SER 32 Cb -0.23 -2.52 0.60 0.00 -1.71 0.00 0.00 66.02 62.16 3d2c s SER 32 CO 0.28 -0.44 1.83 -0.09 1.20 0.00 0.00 173.24 176.02 3d2c h ARG 33 N 7.19 0.92 0.00 5.44 2.43 -1.94 0.13 114.38 128.55 3d2c h ARG 33 Ca -0.30 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 58.82 3d2c h ARG 33 Cb 1.14 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 30.48 3d2c h ARG 33 CO 0.86 0.61 0.00 -0.40 -1.51 0.00 0.00 179.97 179.53 3d2c n ASP 34 N -4.64 0.00 -0.58 -3.80 5.75 -1.26 -2.55 116.55 109.47 3d2c n ASP 34 Ca 0.20 -0.84 0.09 0.00 -0.01 0.00 0.00 54.79 54.22 3d2c n ASP 34 Cb 0.40 0.00 0.21 0.00 -1.03 0.00 0.00 41.12 40.70 3d2c n ASP 34 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3d2c n LYS 35 N -0.96 2.20 -4.05 0.11 5.02 0.46 -4.91 118.16 116.03 3d2c n LYS 35 Ca 0.18 -2.77 -0.33 0.00 -2.02 0.00 0.00 58.31 53.36 3d2c n LYS 35 Cb 0.08 -1.71 -0.15 0.00 -0.02 0.00 0.00 35.03 33.23 3d2c n LYS 35 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3d2c s LEU 36 N -2.88 2.74 0.17 -0.35 1.43 -1.06 -1.45 118.68 117.28 3d2c s LEU 36 Ca 0.38 -0.83 0.11 0.00 -1.03 0.00 0.00 54.13 52.76 3d2c s LEU 36 Cb 0.32 -1.57 -0.04 0.00 0.03 0.00 0.00 46.19 44.93 3d2c s LEU 36 CO 0.06 -0.07 -0.23 -0.31 0.23 0.00 0.00 176.35 176.02 3d2c s TYR 37 N 1.28 2.18 -0.03 0.29 1.51 0.87 -4.97 117.35 118.47 3d2c s TYR 37 Ca 0.01 -0.39 0.00 0.00 -1.01 0.00 0.00 57.07 55.69 3d2c s TYR 37 Cb -0.15 -1.11 0.03 0.00 -0.11 0.00 0.00 41.96 40.61 3d2c s TYR 37 CO -0.08 0.41 0.01 0.00 -1.11 0.00 0.00 175.55 174.78 3d2c s ALA 38 N -1.57 0.31 0.55 3.71 0.00 -1.26 0.05 121.76 123.55 3d2c s ALA 38 Ca 0.17 0.17 -0.07 0.00 0.00 0.00 0.00 51.96 52.23 3d2c s ALA 38 Cb -0.08 -0.35 -0.03 0.00 0.00 0.00 0.00 23.12 22.67 3d2c s ALA 38 CO 0.08 -0.11 0.89 0.54 0.00 0.00 0.00 175.76 177.15 3d2c s VAL 39 N 1.12 4.53 -0.25 0.00 0.11 -0.80 -4.89 120.40 120.21 3d2c s VAL 39 Ca -0.08 0.34 -0.00 0.00 -2.93 0.00 0.00 61.98 59.30 3d2c s VAL 39 Cb -0.13 -3.76 0.07 0.00 -1.53 0.00 0.00 36.38 31.03 3d2c s VAL 39 CO -0.02 -0.83 0.02 -1.81 -3.33 0.00 0.00 175.10 169.13 3d2c s ASP 40 N -4.18 3.74 0.28 3.54 1.01 -1.26 -3.92 116.67 115.88 3d2c s ASP 40 Ca 0.51 -1.29 -0.20 0.00 0.71 0.00 0.00 52.55 52.28 3d2c s ASP 40 Cb -0.11 -0.98 -0.09 0.00 1.01 0.00 0.00 42.92 42.75 3d2c s ASP 40 CO 0.48 -0.32 0.79 -0.36 0.21 0.00 0.00 175.17 175.97 3d2c s PHE 41 N 1.53 3.56 -0.04 4.23 0.08 -1.26 -4.97 117.98 121.12 3d2c s PHE 41 Ca 0.01 1.44 0.13 0.00 0.12 0.00 0.00 56.93 58.63 3d2c s PHE 41 Cb -0.18 -2.68 -0.20 0.00 -0.57 0.00 0.00 43.02 39.39 3d2c s PHE 41 CO -0.12 0.21 0.81 0.11 -0.10 0.00 0.00 175.22 176.13 3d2c h TRP 42 N 2.96 0.00 -1.96 0.36 0.09 -1.98 -3.42 115.95 112.00 3d2c h TRP 42 Ca -0.48 0.00 -0.55 0.00 0.09 0.00 0.00 58.89 57.96 3d2c h TRP 42 Cb 1.19 0.00 -0.08 0.00 0.08 0.00 0.00 29.16 30.35 3d2c h TRP 42 CO 0.63 0.90 1.19 0.34 0.09 0.00 0.00 178.44 181.59 3d2c s ASP 43 N -6.13 6.17 0.00 0.11 -1.08 -1.26 -4.84 116.67 109.64 3d2c s ASP 43 Ca -0.03 -0.68 0.16 0.00 -0.52 0.00 0.00 52.55 51.49 3d2c s ASP 43 Cb 0.08 -2.56 0.82 0.00 -1.46 0.00 0.00 42.92 39.80 3d2c s ASP 43 CO 0.82 -1.81 1.48 0.29 0.52 0.00 0.00 175.17 176.48 3d2c n LYS 44 N 9.22 0.21 0.00 4.34 4.76 -1.26 -1.65 118.16 133.78 3d2c n LYS 44 Ca 0.13 0.14 0.13 0.00 -2.87 0.00 0.00 58.31 55.84 3d2c n LYS 44 Cb 0.50 -1.50 0.42 0.00 -1.84 0.00 0.00 35.03 32.61 3d2c n LYS 44 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 3d2c n THR 45 N -1.31 0.00 -3.99 -0.18 -2.24 -1.26 0.09 114.28 105.39 3d2c n THR 45 Ca 0.07 -0.23 -0.31 0.00 -2.27 0.00 0.00 64.05 61.31 3d2c n THR 45 Cb 0.14 0.58 0.01 0.00 -2.10 0.00 0.00 70.33 68.96 3d2c n THR 45 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3d2c n GLY 46 N 1.25 -0.43 3.77 3.38 0.00 -0.66 -4.85 105.19 107.65 3d2c n GLY 46 Ca 0.16 0.17 -0.37 0.00 0.00 0.00 0.00 46.02 45.98 3d2c n GLY 46 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3d2c s THR 47 N -3.40 3.18 0.19 2.61 -4.23 -1.26 -4.86 115.64 107.86 3d2c s THR 47 Ca 0.55 0.87 -0.11 0.00 -1.18 0.00 0.00 61.69 61.82 3d2c s THR 47 Cb -0.29 -3.43 0.11 0.00 1.34 0.00 0.00 72.50 70.23 3d2c s THR 47 CO 0.86 -0.03 1.79 0.78 -0.54 0.00 0.00 174.62 177.49 3d2c h ASN 48 N 2.01 0.84 -0.77 3.99 2.35 -1.93 -1.79 115.58 120.27 3d2c h ASN 48 Ca -0.49 -0.11 0.15 0.00 -0.55 0.00 0.00 56.30 55.30 3d2c h ASN 48 Cb 1.24 -0.21 -0.10 0.00 0.05 0.00 0.00 38.32 39.30 3d2c h ASN 48 CO 0.60 0.71 0.30 0.22 -1.65 0.00 0.00 177.43 177.61 3d2c h TYR 49 N 0.90 0.50 0.06 1.19 3.20 -2.00 0.12 116.97 120.94 3d2c h TYR 49 Ca 0.23 0.04 -0.21 0.00 3.14 0.00 0.00 58.73 61.93 3d2c h TYR 49 Cb 0.08 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.23 3d2c h TYR 49 CO -0.00 0.04 -1.07 -0.91 -1.64 0.00 0.00 178.16 174.57 3d2c h ASN 50 N 0.42 0.21 0.76 -2.11 2.35 -1.93 -3.40 115.58 111.89 3d2c h ASN 50 Ca 0.43 -0.80 -0.15 0.00 -0.55 0.00 0.00 56.30 55.23 3d2c h ASN 50 Cb 0.68 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.96 3d2c h ASN 50 CO -0.43 1.45 -0.70 0.78 -1.65 0.00 0.00 177.43 176.88 3d2c h ASN 51 N -0.62 0.00 0.03 5.81 -0.26 -1.27 -3.24 115.58 116.03 3d2c h ASN 51 Ca -0.25 0.00 0.03 0.00 -0.56 0.00 0.00 56.30 55.52 3d2c h ASN 51 Cb 1.49 0.00 -0.04 0.00 -1.06 0.00 0.00 38.32 38.71 3d2c h ASN 51 CO -0.02 0.70 -0.26 1.23 -1.06 0.00 0.00 177.43 178.02 3d2c h GLY 52 N 2.23 -0.43 1.11 2.83 0.00 -0.96 0.87 103.07 108.72 3d2c h GLY 52 Ca -0.01 0.32 -0.07 0.00 0.00 0.00 0.00 47.33 47.57 3d2c h GLY 52 CO 0.09 -0.22 0.17 -2.55 0.00 0.00 0.00 176.54 174.03 3d2c h PRO 53 N -0.42 1.10 -0.94 4.80 0.11 -1.78 -0.71 132.00 134.17 3d2c h PRO 53 Ca 0.06 -0.26 0.01 0.00 0.11 0.00 0.00 66.00 65.92 3d2c h PRO 53 Cb 0.49 -0.15 -0.05 0.00 0.11 0.00 0.00 31.00 31.41 3d2c h PRO 53 CO -0.21 0.97 0.62 0.28 -0.21 0.00 0.00 178.00 179.45 3d2c h VAL 54 N 1.05 1.24 -0.31 3.15 2.07 -1.51 -1.77 116.25 120.17 3d2c h VAL 54 Ca 0.22 -0.44 -0.13 0.00 0.82 0.00 0.00 66.70 67.17 3d2c h VAL 54 Cb 0.36 -0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 29.99 3d2c h VAL 54 CO 0.00 0.23 -0.32 0.25 0.02 0.00 0.00 177.57 177.75 3d2c h LEU 55 N 1.27 0.81 -0.34 2.57 5.85 -0.35 -2.07 115.31 123.05 3d2c h LEU 55 Ca 0.34 -0.48 0.05 0.00 0.84 0.00 0.00 57.88 58.64 3d2c h LEU 55 Cb -0.15 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 40.61 3d2c h LEU 55 CO -0.07 1.12 0.06 -1.28 -0.34 0.00 0.00 178.44 177.93 3d2c h SER 56 N 0.52 0.00 -0.08 1.25 0.87 -0.62 0.86 113.55 116.36 3d2c h SER 56 Ca 0.05 0.06 -0.11 0.00 -1.23 0.00 0.00 61.79 60.55 3d2c h SER 56 Cb 0.90 0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.93 3d2c h SER 56 CO 0.08 0.04 -0.30 0.03 -0.53 0.00 0.00 176.83 176.15 3d2c h ARG 57 N 0.18 0.55 -0.17 2.24 3.08 -1.34 -1.46 114.38 117.45 3d2c h ARG 57 Ca 0.16 -0.23 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 3d2c h ARG 57 Cb 0.18 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 3d2c h ARG 57 CO -0.22 0.79 0.06 0.35 -1.07 0.00 0.00 179.97 179.89 3d2c h PHE 58 N 0.47 0.27 -0.65 3.04 3.57 -0.68 -0.70 116.94 122.26 3d2c h PHE 58 Ca 0.06 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.54 3d2c h PHE 58 Cb 0.76 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.39 3d2c h PHE 58 CO 0.03 0.34 0.43 0.28 -2.23 0.00 0.00 178.31 177.16 3d2c h VAL 59 N 0.12 1.17 -0.76 1.41 2.07 -0.68 -1.56 116.25 118.02 3d2c h VAL 59 Ca 0.06 -0.30 -0.02 0.00 0.82 0.00 0.00 66.70 67.25 3d2c h VAL 59 Cb 0.19 0.22 -0.04 0.00 -1.52 0.00 0.00 31.29 30.14 3d2c h VAL 59 CO -0.00 0.16 0.38 -0.61 0.02 0.00 0.00 177.57 177.52 3d2c h GLN 60 N 0.88 1.07 -0.77 1.57 5.75 -1.07 0.38 115.11 122.92 3d2c h GLN 60 Ca 0.24 -0.14 -0.03 0.00 -0.15 0.00 0.00 58.65 58.57 3d2c h GLN 60 Cb -0.10 -0.20 -0.04 0.00 1.07 0.00 0.00 27.48 28.21 3d2c h GLN 60 CO -0.05 0.81 0.37 -0.22 -2.65 0.00 0.00 178.83 177.09 3d2c h LYS 61 N 1.07 1.11 -0.28 1.69 3.64 -0.51 0.21 116.57 123.50 3d2c h LYS 61 Ca 0.26 -0.16 -0.16 0.00 -1.27 0.00 0.00 60.65 59.32 3d2c h LYS 61 Cb 0.08 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.69 3d2c h LYS 61 CO -0.04 0.86 -0.46 0.28 -2.27 0.00 0.00 179.45 177.83 3d2c h VAL 62 N 1.09 1.29 -0.65 2.00 2.07 -0.59 -1.63 116.25 119.84 3d2c h VAL 62 Ca 0.26 -1.65 -0.06 0.00 0.82 0.00 0.00 66.70 66.07 3d2c h VAL 62 Cb 0.12 1.56 -0.03 0.00 -1.52 0.00 0.00 31.29 31.42 3d2c h VAL 62 CO -0.03 0.53 0.15 -0.07 0.02 0.00 0.00 177.57 178.16 3d2c h LEU 63 N 0.58 0.97 -0.13 2.57 3.38 -0.46 0.19 115.31 122.42 3d2c h LEU 63 Ca 0.03 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 3d2c h LEU 63 Cb 1.02 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.51 3d2c h LEU 63 CO 0.10 0.94 -0.02 0.44 0.09 0.00 0.00 178.44 179.99 3d2c h ASP 64 N 0.97 0.23 -0.08 -0.43 3.32 -0.82 0.42 116.42 120.05 3d2c h ASP 64 Ca 0.20 -0.34 -0.00 0.00 0.02 0.00 0.00 57.03 56.91 3d2c h ASP 64 Cb 0.36 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 39.84 3d2c h ASP 64 CO 0.00 0.52 0.04 -0.33 -1.72 0.00 0.00 179.24 177.75 3d2c h GLU 65 N -0.05 0.11 0.00 3.56 5.08 -1.14 -3.22 114.58 118.92 3d2c h GLU 65 Ca 0.03 -0.02 -0.20 0.00 -1.00 0.00 0.00 59.36 58.18 3d2c h GLU 65 Cb 0.41 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.61 3d2c h GLU 65 CO 0.01 0.18 -1.00 1.79 -1.00 0.00 0.00 179.01 178.99 3d2c h THR 66 N 0.02 1.36 -0.00 1.13 1.35 -1.01 -3.47 112.91 112.29 3d2c h THR 66 Ca 0.03 -3.00 -0.00 0.00 -0.55 0.00 0.00 66.41 62.88 3d2c h THR 66 Cb 0.10 2.66 -0.00 0.00 -1.73 0.00 0.00 68.15 69.18 3d2c h THR 66 CO -0.00 0.78 -0.00 0.61 -0.25 0.00 0.00 175.52 176.65 3d2c n GLY 67 N 1.35 0.48 3.77 5.82 0.00 0.15 -5.02 105.19 111.74 3d2c n GLY 67 Ca -0.02 -0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 3d2c n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d2c s ALA 68 N -1.95 2.04 -0.03 4.61 0.00 -1.22 -4.98 121.76 120.22 3d2c s ALA 68 Ca 0.00 -0.12 -0.06 0.00 0.00 0.00 0.00 51.96 51.78 3d2c s ALA 68 Cb 0.00 -3.15 -0.29 0.00 0.00 0.00 0.00 23.12 19.69 3d2c s ALA 68 CO 0.00 -1.92 0.72 -0.22 0.00 0.00 0.00 175.76 174.34 3d2c h LYS 69 N -1.23 0.30 -4.19 0.00 3.64 -1.95 -3.46 116.57 109.68 3d2c h LYS 69 Ca -0.47 -0.51 -0.17 0.00 -1.27 0.00 0.00 60.65 58.23 3d2c h LYS 69 Cb 1.27 0.19 -0.12 0.00 -0.41 0.00 0.00 32.23 33.16 3d2c h LYS 69 CO 0.57 1.17 -0.39 0.15 -2.27 0.00 0.00 179.45 178.68 3d2c s LYS 70 N -2.59 1.39 0.28 1.90 1.02 -1.26 -4.72 119.74 115.75 3d2c s LYS 70 Ca -0.13 -1.49 0.06 0.00 0.02 0.00 0.00 55.97 54.43 3d2c s LYS 70 Cb 0.06 0.36 -0.06 0.00 -0.52 0.00 0.00 37.83 37.68 3d2c s LYS 70 CO 0.84 -0.52 -0.03 0.14 -0.92 0.00 0.00 175.35 174.87 3d2c s VAL 71 N -4.04 1.47 0.14 3.17 -7.23 -0.29 -4.14 120.40 109.47 3d2c s VAL 71 Ca 0.32 -2.08 0.06 0.00 -1.81 0.00 0.00 61.98 58.47 3d2c s VAL 71 Cb 0.03 -2.49 -0.04 0.00 0.56 0.00 0.00 36.38 34.44 3d2c s VAL 71 CO 0.11 -0.25 -0.02 -1.81 -0.31 0.00 0.00 175.10 172.83 3d2c s ASP 72 N -3.43 4.80 -0.03 4.85 1.01 -0.14 -1.73 116.67 122.00 3d2c s ASP 72 Ca 0.30 -0.32 0.04 0.00 0.71 0.00 0.00 52.55 53.28 3d2c s ASP 72 Cb 0.05 -1.05 -0.00 0.00 1.01 0.00 0.00 42.92 42.93 3d2c s ASP 72 CO 0.12 0.13 -0.16 -0.63 0.21 0.00 0.00 175.17 174.84 3d2c s ILE 73 N -1.51 1.30 -0.17 0.77 1.01 0.76 -0.90 121.20 122.46 3d2c s ILE 73 Ca 0.26 -0.65 0.01 0.00 0.00 0.00 0.00 60.65 60.26 3d2c s ILE 73 Cb -0.10 -1.11 0.01 0.00 0.01 0.00 0.00 42.46 41.26 3d2c s ILE 73 CO 0.18 0.38 -0.18 -0.69 0.00 0.00 0.00 174.94 174.62 3d2c s VAL 74 N -0.01 2.31 0.05 2.92 1.01 -0.84 -0.21 120.40 125.63 3d2c s VAL 74 Ca -0.02 -0.87 0.05 0.00 0.00 0.00 0.00 61.98 61.14 3d2c s VAL 74 Cb -0.10 -1.97 -0.02 0.00 0.00 0.00 0.00 36.38 34.28 3d2c s VAL 74 CO 0.01 0.53 -0.14 0.00 0.00 0.00 0.00 175.10 175.50 3d2c s ALA 75 N 1.11 1.18 -0.09 5.51 0.00 0.16 -0.78 121.76 128.85 3d2c s ALA 75 Ca 0.00 -0.87 0.04 0.00 0.00 0.00 0.00 51.96 51.14 3d2c s ALA 75 Cb -0.14 -0.17 -0.01 0.00 0.00 0.00 0.00 23.12 22.81 3d2c s ALA 75 CO -0.07 0.21 -0.22 -1.58 0.00 0.00 0.00 175.76 174.10 3d2c s HIS 76 N -0.94 2.56 0.00 0.00 5.65 0.03 0.48 115.29 123.07 3d2c s HIS 76 Ca 0.01 -0.82 0.00 0.00 0.25 0.00 0.00 55.06 54.50 3d2c s HIS 76 Cb -0.08 -1.68 0.00 0.00 -1.18 0.00 0.00 32.58 29.63 3d2c s HIS 76 CO 0.01 -0.28 0.00 0.45 -0.65 0.00 0.00 174.74 174.27 3d2c n SER 77 N 3.24 0.00 0.30 9.88 2.88 -0.75 -0.44 113.62 128.73 3d2c n SER 77 Ca -0.18 0.00 0.20 0.00 -1.33 0.00 0.00 58.87 57.56 3d2c n SER 77 Cb 0.53 0.00 1.07 0.00 -0.75 0.00 0.00 64.21 65.06 3d2c n SER 77 CO 0.00 0.00 0.00 0.24 -1.23 0.00 0.00 175.04 174.05 3d2c h MET 78 N 0.00 0.00 0.00 -1.46 0.00 -1.86 0.11 114.93 111.72 3d2c h MET 78 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 59.70 59.68 3d2c h MET 78 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 31.60 31.60 3d2c h MET 78 CO 0.00 0.00 -0.09 0.78 0.00 0.00 0.00 176.91 177.60 3d2c h GLY 79 N 0.00 0.00 1.00 8.32 0.00 -0.80 -0.21 103.07 111.38 3d2c h GLY 79 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.23 3d2c h GLY 79 CO 0.00 0.00 -0.13 -1.33 0.00 0.00 0.00 176.54 175.08 3d2c h GLY 80 N 0.30 0.88 1.01 4.60 0.00 -0.96 -0.17 103.07 108.73 3d2c h GLY 80 Ca -0.00 -0.75 -0.05 0.00 0.00 0.00 0.00 47.33 46.52 3d2c h GLY 80 CO 0.01 0.69 0.16 0.00 0.00 0.00 0.00 176.54 177.40 3d2c h ALA 81 N 0.84 0.77 -0.59 3.60 0.00 -1.39 -1.22 119.26 121.27 3d2c h ALA 81 Ca 0.10 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 3d2c h ALA 81 Cb 0.67 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 3d2c h ALA 81 CO 0.05 0.45 0.19 -0.91 0.00 0.00 0.00 179.25 179.03 3d2c h ASN 82 N 0.83 0.86 -0.27 0.00 2.35 -0.84 0.42 115.58 118.93 3d2c h ASN 82 Ca 0.18 -0.20 -0.00 0.00 -0.55 0.00 0.00 56.30 55.73 3d2c h ASN 82 Cb 0.32 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 3d2c h ASN 82 CO -0.00 0.83 0.16 0.74 -1.65 0.00 0.00 177.43 177.52 3d2c h THR 83 N 0.84 1.09 -0.52 2.81 2.02 -0.84 0.99 112.91 119.30 3d2c h THR 83 Ca 0.19 -0.20 -0.04 0.00 0.77 0.00 0.00 66.41 67.13 3d2c h THR 83 Cb 0.28 0.75 -0.02 0.00 -1.74 0.00 0.00 68.15 67.41 3d2c h THR 83 CO -0.01 0.09 0.17 -0.07 0.37 0.00 0.00 175.52 176.07 3d2c h LEU 84 N 0.34 0.74 -0.23 2.58 3.38 -1.03 -0.62 115.31 120.47 3d2c h LEU 84 Ca 0.10 -0.20 0.01 0.00 0.09 0.00 0.00 57.88 57.88 3d2c h LEU 84 Cb 0.00 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 3d2c h LEU 84 CO -0.02 0.74 0.13 0.22 0.09 0.00 0.00 178.44 179.60 3d2c h TYR 85 N 0.70 0.24 -0.47 1.13 3.20 -0.61 0.29 116.97 121.46 3d2c h TYR 85 Ca 0.17 0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.08 3d2c h TYR 85 Cb 0.25 -0.08 -0.04 0.00 1.54 0.00 0.00 36.73 38.41 3d2c h TYR 85 CO 0.01 0.15 0.26 -0.92 -1.64 0.00 0.00 178.16 176.01 3d2c h TYR 86 N 0.27 0.47 -0.23 -3.82 3.20 -0.59 0.12 116.97 116.40 3d2c h TYR 86 Ca 0.09 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.91 3d2c h TYR 86 Cb -0.00 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.12 3d2c h TYR 86 CO -0.08 0.25 -0.12 0.82 -1.64 0.00 0.00 178.16 177.40 3d2c h ILE 87 N 0.51 1.30 0.01 1.81 2.04 -0.72 -2.27 117.51 120.20 3d2c h ILE 87 Ca 0.20 -1.20 -0.00 0.00 1.00 0.00 0.00 64.86 64.86 3d2c h ILE 87 Cb 0.07 1.60 0.00 0.00 -0.74 0.00 0.00 36.82 37.75 3d2c h ILE 87 CO -0.12 0.37 -0.01 0.50 0.00 0.00 0.00 178.15 178.90 3d2c h LYS 88 N 0.20 -0.02 0.00 2.37 3.64 -0.33 -2.98 116.57 119.45 3d2c h LYS 88 Ca 0.05 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 3d2c h LYS 88 Cb 0.62 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.44 3d2c h LYS 88 CO 0.03 0.72 -0.94 0.66 -2.27 0.00 0.00 179.45 177.65 3d2c n TYR 89 N -4.68 0.00 -1.28 1.91 4.02 0.41 -4.96 117.16 112.58 3d2c n TYR 89 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.81 3d2c n TYR 89 Cb 0.36 -0.05 0.00 0.00 -0.02 0.00 0.00 39.34 39.63 3d2c n TYR 89 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 3d2c n LEU 90 N -1.52 0.00 -1.75 7.72 4.77 -0.90 -5.02 117.00 120.30 3d2c n LEU 90 Ca 0.04 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.07 3d2c n LEU 90 Cb 0.34 0.00 0.35 0.00 -2.33 0.00 0.00 43.42 41.78 3d2c n LEU 90 CO 0.42 0.00 0.82 -0.90 -1.33 0.00 0.00 177.39 176.40 3d2c n ASP 91 N 0.00 5.15 0.14 -1.43 5.75 -1.22 -4.44 116.55 120.50 3d2c n ASP 91 Ca 0.00 -2.85 0.13 0.00 -0.01 0.00 0.00 54.79 52.06 3d2c n ASP 91 Cb 0.00 -0.67 0.34 0.00 -1.03 0.00 0.00 41.12 39.76 3d2c n ASP 91 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 3d2c h GLY 92 N 4.04 0.00 -1.42 6.12 0.00 -1.61 -3.39 103.07 106.82 3d2c h GLY 92 Ca 0.02 0.00 0.46 0.00 0.00 0.00 0.00 47.33 47.81 3d2c h GLY 92 CO 0.46 0.00 0.96 0.61 0.00 0.00 0.00 176.54 178.57 3d2c n GLY 93 N 1.25 -0.79 0.30 4.60 0.00 -1.13 -0.67 105.19 108.75 3d2c n GLY 93 Ca 0.05 0.65 0.06 0.00 0.00 0.00 0.00 46.02 46.78 3d2c n GLY 93 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3d2c n ASN 94 N -4.20 1.37 -0.14 1.61 6.94 -1.26 0.37 115.26 119.94 3d2c n ASN 94 Ca 0.37 -2.66 0.01 0.00 -0.02 0.00 0.00 54.58 52.28 3d2c n ASN 94 Cb 1.54 -0.34 0.03 0.00 -2.36 0.00 0.00 39.78 38.65 3d2c n ASN 94 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 3d2c n LYS 95 N -0.81 1.39 -4.69 -3.83 5.02 0.16 -4.85 118.16 110.55 3d2c n LYS 95 Ca 0.10 -1.21 -0.23 0.00 -2.02 0.00 0.00 58.31 54.94 3d2c n LYS 95 Cb 0.68 -1.06 -0.15 0.00 -0.02 0.00 0.00 35.03 34.48 3d2c n LYS 95 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3d2c s VAL 96 N -0.66 1.18 -0.07 -0.18 1.01 -1.18 -1.14 120.40 119.36 3d2c s VAL 96 Ca 0.05 -0.65 -0.09 0.00 0.00 0.00 0.00 61.98 61.29 3d2c s VAL 96 Cb 0.03 -0.98 -0.04 0.00 0.00 0.00 0.00 36.38 35.39 3d2c s VAL 96 CO 0.04 0.32 -0.18 0.00 0.00 0.00 0.00 175.10 175.28 3d2c n ALA 97 N 2.69 1.92 -2.86 5.51 0.00 -0.70 -4.72 120.51 122.35 3d2c n ALA 97 Ca -0.14 -0.46 -0.32 0.00 0.00 0.00 0.00 53.44 52.52 3d2c n ALA 97 Cb 0.55 0.17 -0.16 0.00 0.00 0.00 0.00 19.45 20.01 3d2c n ALA 97 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3d2c s ASN 98 N -6.02 3.28 -0.05 0.00 0.01 -1.26 -1.89 114.94 109.00 3d2c s ASN 98 Ca -0.16 -0.47 0.04 0.00 -0.71 0.00 0.00 52.86 51.56 3d2c s ASN 98 Cb 0.03 -1.06 -0.00 0.00 0.41 0.00 0.00 41.25 40.63 3d2c s ASN 98 CO 0.23 0.23 -0.18 -0.69 -1.51 0.00 0.00 177.10 175.17 3d2c s VAL 99 N -0.04 1.54 -0.09 1.60 1.01 -0.32 -0.17 120.40 123.93 3d2c s VAL 99 Ca -0.07 -0.76 -0.01 0.00 0.00 0.00 0.00 61.98 61.14 3d2c s VAL 99 Cb -0.15 -1.33 0.03 0.00 0.00 0.00 0.00 36.38 34.93 3d2c s VAL 99 CO 0.05 0.44 -0.03 -0.69 0.00 0.00 0.00 175.10 174.87 3d2c s VAL 100 N 0.11 0.66 0.10 2.92 1.01 0.70 -1.29 120.40 124.61 3d2c s VAL 100 Ca -0.06 -0.06 0.06 0.00 0.00 0.00 0.00 61.98 61.92 3d2c s VAL 100 Cb -0.13 -0.75 -0.04 0.00 0.00 0.00 0.00 36.38 35.46 3d2c s VAL 100 CO 0.03 0.31 -0.04 0.42 0.00 0.00 0.00 175.10 175.82 3d2c s THR 101 N 1.85 3.75 -0.24 3.92 -4.23 -0.71 -0.67 115.64 119.31 3d2c s THR 101 Ca 0.05 -1.12 0.02 0.00 -1.18 0.00 0.00 61.69 59.46 3d2c s THR 101 Cb -0.12 -2.78 0.05 0.00 1.34 0.00 0.00 72.50 70.99 3d2c s THR 101 CO -0.06 0.11 -0.11 -0.76 -0.54 0.00 0.00 174.62 173.25 3d2c s LEU 102 N -2.29 3.02 -1.42 4.79 1.43 0.18 -1.23 118.68 123.15 3d2c s LEU 102 Ca 0.24 -1.21 -0.08 0.00 -1.03 0.00 0.00 54.13 52.05 3d2c s LEU 102 Cb -0.11 -1.45 0.05 0.00 0.03 0.00 0.00 46.19 44.70 3d2c s LEU 102 CO 0.17 -0.17 0.62 0.61 0.23 0.00 0.00 176.35 177.81 3d2c n GLY 103 N 4.52 -0.50 3.75 -3.19 0.00 0.13 -1.80 105.19 108.09 3d2c n GLY 103 Ca -0.15 0.13 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 3d2c n GLY 103 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3d2c s GLY 104 N -2.81 2.60 -0.67 -0.02 0.00 -1.26 -3.13 107.32 102.03 3d2c s GLY 104 Ca 0.40 1.26 -0.05 0.00 0.00 0.00 0.00 44.72 46.33 3d2c s GLY 104 CO 0.50 2.10 2.78 0.00 0.00 0.00 0.00 173.10 178.48 3d2c n ALA 105 N 1.84 6.59 -0.26 3.20 0.00 -0.50 -3.02 120.51 128.36 3d2c n ALA 105 Ca 0.04 -3.19 0.07 0.00 0.00 0.00 0.00 53.44 50.35 3d2c n ALA 105 Cb 0.41 -2.38 0.31 0.00 0.00 0.00 0.00 19.45 17.80 3d2c n ALA 105 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 3d2c h ASN 106 N 3.49 0.77 0.17 0.00 2.35 -1.73 -2.59 115.58 118.03 3d2c h ASN 106 Ca 0.47 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 56.23 3d2c h ASN 106 Cb 0.69 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.91 3d2c h ASN 106 CO 0.99 0.47 0.00 0.54 -1.65 0.00 0.00 177.43 177.78 3d2c n ARG 107 N -4.51 0.45 0.07 0.81 1.74 -0.46 -1.58 116.66 113.18 3d2c n ARG 107 Ca 0.14 0.05 0.12 0.00 -0.77 0.00 0.00 57.85 57.39 3d2c n ARG 107 Cb 0.28 -1.50 0.46 0.00 -1.02 0.00 0.00 32.46 30.67 3d2c n ARG 107 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3d2c n LEU 108 N -1.13 0.46 -0.03 0.55 4.77 -0.97 -3.94 117.00 116.70 3d2c n LEU 108 Ca 0.12 0.58 -0.08 0.00 -0.03 0.00 0.00 56.01 56.60 3d2c n LEU 108 Cb 0.11 -0.47 -0.03 0.00 -2.33 0.00 0.00 43.42 40.70 3d2c n LEU 108 CO 0.13 -0.28 -0.56 0.41 -1.33 0.00 0.00 177.39 175.76 3d2c n THR 109 N -1.96 1.08 -3.69 -5.08 -1.04 -0.61 -5.09 114.28 97.88 3d2c n THR 109 Ca 0.04 0.10 -0.10 0.00 -2.04 0.00 0.00 64.05 62.05 3d2c n THR 109 Cb 0.30 -1.82 -0.04 0.00 -1.82 0.00 0.00 70.33 66.95 3d2c n THR 109 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 3d2c s THR 110 N -2.33 0.03 -0.59 12.58 -1.32 -0.93 -5.00 115.64 118.08 3d2c s THR 110 Ca -0.15 -0.67 0.21 0.00 -1.21 0.00 0.00 61.69 59.88 3d2c s THR 110 Cb 0.04 -1.45 -0.27 0.00 -1.51 0.00 0.00 72.50 69.31 3d2c s THR 110 CO 0.20 -0.14 0.74 0.47 -2.21 0.00 0.00 174.62 173.68 3d2c n ASP 111 N -0.32 0.58 -4.25 8.08 8.00 -1.26 -3.62 116.55 123.75 3d2c n ASP 111 Ca -0.12 -0.56 -0.28 0.00 0.71 0.00 0.00 54.79 54.54 3d2c n ASP 111 Cb 0.63 1.39 -0.15 0.00 -0.02 0.00 0.00 41.12 42.97 3d2c n ASP 111 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3d2c s LYS 112 N -3.22 1.76 -0.04 -1.24 1.02 -1.26 -0.67 119.74 116.09 3d2c s LYS 112 Ca 0.01 -0.83 -0.30 0.00 0.02 0.00 0.00 55.97 54.88 3d2c s LYS 112 Cb 0.15 -1.74 -0.07 0.00 -0.52 0.00 0.00 37.83 35.65 3d2c s LYS 112 CO 0.88 0.47 1.94 0.00 -0.92 0.00 0.00 175.35 177.73 3d2c s ALA 113 N -0.57 3.41 0.10 5.17 0.00 -0.18 -4.86 121.76 124.84 3d2c s ALA 113 Ca 0.09 1.12 -0.31 0.00 0.00 0.00 0.00 51.96 52.85 3d2c s ALA 113 Cb -0.09 -3.87 -0.09 0.00 0.00 0.00 0.00 23.12 19.07 3d2c s ALA 113 CO -0.00 -1.79 1.56 -2.14 0.00 0.00 0.00 175.76 173.38 3d2c s PRO 114 N 4.75 4.23 0.34 0.00 0.02 -1.26 -4.88 135.00 138.20 3d2c s PRO 114 Ca 0.87 2.27 0.14 0.00 0.02 0.00 0.00 61.00 64.30 3d2c s PRO 114 Cb -0.38 -3.38 0.60 0.00 0.02 0.00 0.00 34.50 31.35 3d2c s PRO 114 CO 0.38 -0.63 1.73 -1.35 -0.33 0.00 0.00 177.00 176.80 3d2c h PRO 115 N 7.49 0.00 0.00 5.54 0.11 -1.91 -3.40 132.00 139.83 3d2c h PRO 115 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3d2c h PRO 115 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3d2c h PRO 115 CO 0.91 0.46 0.00 0.41 -0.21 0.00 0.00 178.00 179.57 3d2c n GLY 116 N 0.00 -1.82 0.31 -0.55 0.00 -1.26 -1.21 105.19 100.67 3d2c n GLY 116 Ca -0.01 -1.84 0.04 0.00 0.00 0.00 0.00 46.02 44.21 3d2c n GLY 116 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3d2c n THR 117 N 0.00 1.20 -3.11 2.61 -2.24 0.16 -4.94 114.28 107.95 3d2c n THR 117 Ca 0.00 -1.20 -0.44 0.00 -2.27 0.00 0.00 64.05 60.14 3d2c n THR 117 Cb 0.00 0.36 -0.06 0.00 -2.10 0.00 0.00 70.33 68.54 3d2c n THR 117 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3d2c s ASP 118 N -1.26 6.22 0.56 3.42 -1.08 -1.25 -4.87 116.67 118.40 3d2c s ASP 118 Ca 0.15 -0.96 0.30 0.00 -0.52 0.00 0.00 52.55 51.52 3d2c s ASP 118 Cb 0.10 -2.31 1.46 0.00 -1.46 0.00 0.00 42.92 40.72 3d2c s ASP 118 CO 0.07 -0.98 1.90 -0.65 0.52 0.00 0.00 175.17 176.03 3d2c h PRO 119 N 9.07 0.00 0.03 4.34 0.11 -1.97 -1.95 132.00 141.63 3d2c h PRO 119 Ca -0.28 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.56 3d2c h PRO 119 Cb 1.09 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.17 3d2c h PRO 119 CO 1.00 0.00 -1.47 -0.91 -0.21 0.00 0.00 178.00 176.41 3d2c h ASN 120 N 0.00 0.09 -3.30 -2.05 2.35 -2.02 -3.46 115.58 107.20 3d2c h ASN 120 Ca 0.31 -0.15 -0.38 0.00 -0.55 0.00 0.00 56.30 55.53 3d2c h ASN 120 Cb 1.41 -0.03 -0.39 0.00 0.05 0.00 0.00 38.32 39.36 3d2c h ASN 120 CO -0.00 1.13 -0.75 -1.58 -1.65 0.00 0.00 177.43 174.58 3d2c s GLN 121 N -2.63 0.05 0.36 0.81 0.74 -0.73 -5.13 119.66 113.13 3d2c s GLN 121 Ca -0.05 0.33 -0.22 0.00 0.05 0.00 0.00 55.36 55.47 3d2c s GLN 121 Cb 0.08 -0.60 -0.10 0.00 1.10 0.00 0.00 33.01 33.49 3d2c s GLN 121 CO 0.83 -0.32 0.90 0.15 -0.55 0.00 0.00 175.29 176.30 3d2c s LYS 122 N 2.12 4.32 0.24 1.67 1.02 -1.26 -4.36 119.74 123.50 3d2c s LYS 122 Ca 0.05 1.11 -0.30 0.00 0.02 0.00 0.00 55.97 56.85 3d2c s LYS 122 Cb -0.12 -2.48 -0.09 0.00 -0.52 0.00 0.00 37.83 34.62 3d2c s LYS 122 CO -0.03 0.13 1.34 0.42 -0.92 0.00 0.00 175.35 176.29 3d2c s ILE 123 N -1.91 2.98 -0.07 2.17 1.01 -0.35 -5.00 121.20 120.03 3d2c s ILE 123 Ca 0.55 0.84 -0.04 0.00 0.00 0.00 0.00 60.65 62.01 3d2c s ILE 123 Cb -0.13 -3.54 -0.04 0.00 0.01 0.00 0.00 42.46 38.76 3d2c s ILE 123 CO 0.18 0.14 0.09 -0.76 0.00 0.00 0.00 174.94 174.60 3d2c s LEU 124 N -0.53 4.05 0.02 2.97 1.43 -0.79 -4.54 118.68 121.28 3d2c s LEU 124 Ca 0.56 0.29 0.06 0.00 -1.03 0.00 0.00 54.13 54.01 3d2c s LEU 124 Cb -0.38 -2.11 -0.02 0.00 0.03 0.00 0.00 46.19 43.70 3d2c s LEU 124 CO 0.42 0.35 -0.18 -0.31 0.23 0.00 0.00 176.35 176.87 3d2c s TYR 125 N -1.06 1.59 -0.17 0.29 1.51 -0.42 -1.18 117.35 117.90 3d2c s TYR 125 Ca 0.18 -0.34 -0.01 0.00 -1.01 0.00 0.00 57.07 55.88 3d2c s TYR 125 Cb -0.12 -0.97 0.05 0.00 -0.11 0.00 0.00 41.96 40.81 3d2c s TYR 125 CO 0.08 0.04 -0.01 0.99 -1.11 0.00 0.00 175.55 175.53 3d2c s THR 126 N -0.67 0.80 -0.35 -0.71 2.01 -0.41 -0.82 115.64 115.48 3d2c s THR 126 Ca 0.06 -0.54 -0.10 0.00 0.31 0.00 0.00 61.69 61.42 3d2c s THR 126 Cb -0.08 -1.11 0.02 0.00 0.01 0.00 0.00 72.50 71.34 3d2c s THR 126 CO 0.01 -0.01 0.19 -0.55 -0.69 0.00 0.00 174.62 173.57 3d2c s SER 127 N 1.75 5.65 -0.16 3.53 0.15 0.12 -1.73 113.70 123.02 3d2c s SER 127 Ca 0.00 -0.87 -0.07 0.00 0.70 0.00 0.00 55.95 55.71 3d2c s SER 127 Cb -0.16 -2.01 -0.04 0.00 -1.71 0.00 0.00 66.02 62.10 3d2c s SER 127 CO -0.07 -0.33 0.09 -0.63 1.20 0.00 0.00 173.24 173.50 3d2c s ILE 128 N 1.56 5.04 0.02 6.45 1.01 -0.37 -0.39 121.20 134.52 3d2c s ILE 128 Ca 0.02 0.05 -0.22 0.00 0.00 0.00 0.00 60.65 60.51 3d2c s ILE 128 Cb -0.19 -3.24 0.05 0.00 0.01 0.00 0.00 42.46 39.09 3d2c s ILE 128 CO 0.06 0.52 0.48 -0.72 0.00 0.00 0.00 174.94 175.28 3d2c s TYR 129 N -0.17 -0.38 -0.10 3.97 -0.85 -0.86 0.21 117.35 119.16 3d2c s TYR 129 Ca 0.09 0.50 -0.03 0.00 -0.52 0.00 0.00 57.07 57.10 3d2c s TYR 129 Cb -0.12 0.28 -0.03 0.00 0.38 0.00 0.00 41.96 42.47 3d2c s TYR 129 CO 0.01 -0.57 0.02 0.45 -1.52 0.00 0.00 175.55 173.94 3d2c s SER 130 N -1.71 5.38 0.00 -0.18 0.15 -1.26 -0.60 113.70 115.48 3d2c s SER 130 Ca -0.08 0.16 0.15 0.00 0.70 0.00 0.00 55.95 56.88 3d2c s SER 130 Cb -0.01 -1.60 0.66 0.00 -1.71 0.00 0.00 66.02 63.36 3d2c s SER 130 CO 0.01 0.35 1.45 -1.54 1.20 0.00 0.00 173.24 174.72 3d2c n SER 131 N 2.31 0.00 -1.11 5.45 3.41 -0.33 -2.06 113.62 121.28 3d2c n SER 131 Ca -0.19 0.36 0.08 0.00 -0.26 0.00 0.00 58.87 58.86 3d2c n SER 131 Cb 0.54 -0.43 0.27 0.00 -0.26 0.00 0.00 64.21 64.33 3d2c n SER 131 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3d2c n ASP 132 N -1.43 4.02 -4.69 4.04 8.00 -1.26 -4.96 116.55 120.27 3d2c n ASP 132 Ca 0.05 -2.53 -0.42 0.00 0.71 0.00 0.00 54.79 52.60 3d2c n ASP 132 Cb 0.15 -0.48 -0.03 0.00 -0.02 0.00 0.00 41.12 40.75 3d2c n ASP 132 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3d2c s ASP 133 N -1.26 7.01 0.00 -2.24 -1.08 -0.88 -4.62 116.67 113.60 3d2c s ASP 133 Ca 0.41 1.86 0.22 0.00 -0.52 0.00 0.00 52.55 54.52 3d2c s ASP 133 Cb 0.28 -2.56 0.09 0.00 -1.46 0.00 0.00 42.92 39.28 3d2c s ASP 133 CO 0.17 -0.61 1.14 0.23 0.52 0.00 0.00 175.17 176.62 3d2c n MET 134 N 5.27 1.77 -0.11 4.34 2.81 -1.26 -4.58 117.12 125.35 3d2c n MET 134 Ca 0.11 -1.46 -0.23 0.00 -1.81 0.00 0.00 57.70 54.31 3d2c n MET 134 Cb 0.46 -1.44 -0.09 0.00 -0.71 0.00 0.00 33.22 31.44 3d2c n MET 134 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 3d2c n ILE 135 N 0.69 1.26 -3.95 2.02 2.08 -1.26 -4.94 119.36 115.25 3d2c n ILE 135 Ca 0.11 -0.35 -0.34 0.00 0.56 0.00 0.00 62.75 62.73 3d2c n ILE 135 Cb 0.51 -1.72 -0.14 0.00 -0.75 0.00 0.00 39.64 37.54 3d2c n ILE 135 CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 3d2c s VAL 136 N -2.42 2.86 0.40 1.39 1.01 -1.26 -5.09 120.40 117.29 3d2c s VAL 136 Ca -0.32 -1.14 -0.26 0.00 0.00 0.00 0.00 61.98 60.26 3d2c s VAL 136 Cb 0.12 -2.51 -0.10 0.00 0.00 0.00 0.00 36.38 33.89 3d2c s VAL 136 CO 0.42 0.12 1.33 0.23 0.00 0.00 0.00 175.10 177.19 3d2c n MET 137 N 4.65 2.12 0.29 2.72 2.81 -1.26 -4.84 117.12 123.60 3d2c n MET 137 Ca -0.16 0.75 0.14 0.00 -1.81 0.00 0.00 57.70 56.62 3d2c n MET 137 Cb 0.46 -2.44 0.86 0.00 -0.71 0.00 0.00 33.22 31.38 3d2c n MET 137 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 3d2c h ASN 138 N 2.33 0.00 -0.81 7.83 -0.26 -1.91 -1.20 115.58 121.56 3d2c h ASN 138 Ca -0.48 0.00 0.07 0.00 -0.56 0.00 0.00 56.30 55.32 3d2c h ASN 138 Cb 1.28 0.00 -0.06 0.00 -1.06 0.00 0.00 38.32 38.48 3d2c h ASN 138 CO 0.61 0.02 0.48 0.22 -1.06 0.00 0.00 177.43 177.70 3d2c h TYR 139 N 0.00 0.89 0.00 1.19 3.20 -1.95 -1.66 116.97 118.64 3d2c h TYR 139 Ca -0.00 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.81 3d2c h TYR 139 Cb 0.04 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.02 3d2c h TYR 139 CO 0.00 0.44 -0.43 -0.07 -1.64 0.00 0.00 178.16 176.45 3d2c h LEU 140 N 0.87 0.00 0.09 2.82 3.38 -1.54 -3.30 115.31 117.63 3d2c h LEU 140 Ca 0.36 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 58.16 3d2c h LEU 140 Cb 0.20 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.97 3d2c h LEU 140 CO -0.19 0.43 -0.71 0.28 0.09 0.00 0.00 178.44 178.34 3d2c h SER 141 N 0.00 0.47 -1.99 -0.43 0.02 -1.25 -1.15 113.55 109.22 3d2c h SER 141 Ca -0.00 -0.89 -0.63 0.00 -0.84 0.00 0.00 61.79 59.43 3d2c h SER 141 Cb 0.89 -0.15 0.03 0.00 0.14 0.00 0.00 62.40 63.31 3d2c h SER 141 CO 0.06 1.32 0.89 0.54 -1.14 0.00 0.00 176.83 178.50 3d2c n ARG 142 N -4.18 1.89 -4.91 3.45 1.74 -0.72 -4.73 116.66 109.21 3d2c n ARG 142 Ca -0.12 0.69 -0.33 0.00 -0.77 0.00 0.00 57.85 57.32 3d2c n ARG 142 Cb 0.76 -2.46 -0.16 0.00 -1.02 0.00 0.00 32.46 29.58 3d2c n ARG 142 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3d2c s LEU 143 N 2.53 2.40 0.00 0.55 2.96 -1.26 -4.84 118.68 121.02 3d2c s LEU 143 Ca 0.88 -0.46 -0.30 0.00 -0.22 0.00 0.00 54.13 54.04 3d2c s LEU 143 Cb -0.77 -1.52 -0.08 0.00 0.50 0.00 0.00 46.19 44.32 3d2c s LEU 143 CO 0.49 0.15 1.85 -1.81 -1.32 0.00 0.00 176.35 175.71 3d2c s ASP 144 N 0.44 6.52 0.00 3.68 1.11 0.15 -1.90 116.67 126.68 3d2c s ASP 144 Ca -0.13 2.50 0.00 0.00 0.18 0.00 0.00 52.55 55.10 3d2c s ASP 144 Cb -0.17 -2.53 0.00 0.00 1.07 0.00 0.00 42.92 41.29 3d2c s ASP 144 CO 0.06 -1.02 0.00 0.61 1.18 0.00 0.00 175.17 176.00 3d2c n GLY 145 N 4.41 0.89 4.00 0.21 0.00 -1.26 -1.01 105.19 112.43 3d2c n GLY 145 Ca 0.19 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.04 3d2c n GLY 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d2c s ALA 146 N -2.62 4.45 -0.64 4.61 0.00 -0.80 -1.13 121.76 125.63 3d2c s ALA 146 Ca 0.00 -1.62 -0.25 0.00 0.00 0.00 0.00 51.96 50.10 3d2c s ALA 146 Cb 0.00 -1.65 0.05 0.00 0.00 0.00 0.00 23.12 21.52 3d2c s ALA 146 CO 0.00 -0.24 1.06 0.50 0.00 0.00 0.00 175.76 177.08 3d2c s ARG 147 N -4.32 3.22 -0.39 0.00 3.52 -0.00 -4.89 118.95 116.08 3d2c s ARG 147 Ca 0.53 -0.44 -0.20 0.00 -0.13 0.00 0.00 55.73 55.50 3d2c s ARG 147 Cb -0.10 -4.15 0.01 0.00 -1.56 0.00 0.00 34.95 29.15 3d2c s ARG 147 CO 0.33 -1.80 0.59 -0.80 -0.81 0.00 0.00 175.30 172.80 3d2c s ASN 148 N 3.41 6.33 -0.22 -2.12 0.01 -1.26 0.15 114.94 121.25 3d2c s ASN 148 Ca 0.29 -0.18 -0.02 0.00 -0.71 0.00 0.00 52.86 52.25 3d2c s ASN 148 Cb -0.13 -2.30 0.01 0.00 0.41 0.00 0.00 41.25 39.25 3d2c s ASN 148 CO 0.15 -0.64 -0.10 -0.69 -1.51 0.00 0.00 177.10 174.32 3d2c s VAL 149 N 2.61 2.81 -0.18 1.60 1.01 0.47 -4.96 120.40 123.76 3d2c s VAL 149 Ca 0.21 -0.79 -0.08 0.00 0.00 0.00 0.00 61.98 61.32 3d2c s VAL 149 Cb -0.15 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 33.89 3d2c s VAL 149 CO 0.16 0.40 0.11 -1.58 0.00 0.00 0.00 175.10 174.18 3d2c s GLN 150 N 1.37 3.95 0.49 2.72 0.74 -1.26 -2.03 119.66 125.63 3d2c s GLN 150 Ca 0.04 -0.25 0.03 0.00 0.05 0.00 0.00 55.36 55.23 3d2c s GLN 150 Cb -0.15 -3.29 -0.03 0.00 1.10 0.00 0.00 33.01 30.65 3d2c s GLN 150 CO -0.07 0.39 0.04 0.96 -0.55 0.00 0.00 175.29 176.07 3d2c s ILE 151 N 0.06 1.43 0.16 -2.34 -4.36 0.23 -4.97 121.20 111.41 3d2c s ILE 151 Ca 0.08 -1.95 0.03 0.00 -0.26 0.00 0.00 60.65 58.55 3d2c s ILE 151 Cb -0.12 -2.38 -0.05 0.00 1.25 0.00 0.00 42.46 41.17 3d2c s ILE 151 CO -0.00 0.00 -0.06 -1.00 0.24 0.00 0.00 174.94 174.12 3d2c s HIS 152 N -2.82 1.25 -1.10 1.37 3.76 -1.26 -1.19 115.29 115.29 3d2c s HIS 152 Ca 0.16 -0.86 0.00 0.00 -0.15 0.00 0.00 55.06 54.20 3d2c s HIS 152 Cb 0.03 -0.68 0.00 0.00 1.11 0.00 0.00 32.58 33.05 3d2c s HIS 152 CO 0.08 -0.03 0.00 0.41 -0.85 0.00 0.00 174.74 174.35 3d2c n GLY 153 N -0.22 0.76 2.96 -2.22 0.00 -1.26 -4.95 105.19 100.26 3d2c n GLY 153 Ca -0.09 -0.48 -0.18 0.00 0.00 0.00 0.00 46.02 45.27 3d2c n GLY 153 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d2c s VAL 154 N -2.47 0.55 0.89 1.61 0.11 -1.26 -5.06 120.40 114.76 3d2c s VAL 154 Ca 0.00 -0.25 -0.13 0.00 -2.93 0.00 0.00 61.98 58.67 3d2c s VAL 154 Cb 0.00 -0.49 0.13 0.00 -1.53 0.00 0.00 36.38 34.49 3d2c s VAL 154 CO 0.00 0.18 1.16 -0.83 -3.33 0.00 0.00 175.10 172.28 3d2c s GLY 155 N 0.14 1.60 0.14 6.54 0.00 -1.26 -4.06 107.32 110.41 3d2c s GLY 155 Ca -0.01 -0.63 -0.19 0.00 0.00 0.00 0.00 44.72 43.88 3d2c s GLY 155 CO -0.00 -0.07 1.71 0.84 0.00 0.00 0.00 173.10 175.58 3d2c h HIS 156 N -1.39 -0.04 0.00 1.90 2.76 -1.94 -2.01 115.15 114.42 3d2c h HIS 156 Ca -0.48 0.02 -0.18 0.00 -2.20 0.00 0.00 60.37 57.53 3d2c h HIS 156 Cb 1.32 0.06 -0.02 0.00 1.55 0.00 0.00 27.41 30.32 3d2c h HIS 156 CO 0.12 -0.06 -0.83 0.52 -1.30 0.00 0.00 177.93 176.38 3d2c h MET 157 N 0.05 0.02 -0.03 5.26 2.86 -2.00 -3.12 114.93 117.98 3d2c h MET 157 Ca 0.11 -0.03 0.01 0.00 -2.06 0.00 0.00 59.70 57.74 3d2c h MET 157 Cb 0.16 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.82 3d2c h MET 157 CO -0.21 0.84 0.07 0.78 1.06 0.00 0.00 176.91 179.45 3d2c h GLY 158 N 2.38 0.00 0.98 8.32 0.00 -1.75 -1.58 103.07 111.42 3d2c h GLY 158 Ca -0.01 0.00 0.09 0.00 0.00 0.00 0.00 47.33 47.41 3d2c h GLY 158 CO 0.11 0.00 0.44 1.41 0.00 0.00 0.00 176.54 178.50 3d2c h LEU 159 N 0.00 0.48 -0.19 3.11 3.38 -1.33 -1.24 115.31 119.52 3d2c h LEU 159 Ca 0.01 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3d2c h LEU 159 Cb 0.16 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3d2c h LEU 159 CO -0.00 0.29 0.00 0.18 0.09 0.00 0.00 178.44 179.00 3d2c n LEU 160 N -4.48 0.19 0.00 1.67 4.77 -0.59 -3.41 117.00 115.14 3d2c n LEU 160 Ca 0.11 0.54 0.00 0.00 -0.03 0.00 0.00 56.01 56.63 3d2c n LEU 160 Cb 0.34 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 3d2c n LEU 160 CO 0.33 -0.33 0.23 -1.22 -1.33 0.00 0.00 177.39 175.07 3d2c n TYR 161 N -1.70 0.00 -2.52 -1.77 4.01 -0.55 -4.19 117.16 110.43 3d2c n TYR 161 Ca 0.03 -0.10 -0.42 0.00 -0.16 0.00 0.00 57.90 57.25 3d2c n TYR 161 Cb 0.19 -0.01 -0.03 0.00 -0.31 0.00 0.00 39.34 39.18 3d2c n TYR 161 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3d2c s SER 162 N -0.20 7.13 0.53 7.72 0.15 -0.72 -4.90 113.70 123.41 3d2c s SER 162 Ca 0.00 1.77 0.31 0.00 0.70 0.00 0.00 55.95 58.74 3d2c s SER 162 Cb 0.00 -2.56 1.43 0.00 -1.71 0.00 0.00 66.02 63.17 3d2c s SER 162 CO 0.00 -0.51 2.02 0.77 1.20 0.00 0.00 173.24 176.73 3d2c h SER 163 N 7.21 0.00 -0.17 5.45 4.64 -1.92 0.32 113.55 129.09 3d2c h SER 163 Ca -0.35 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.93 3d2c h SER 163 Cb 1.17 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.26 3d2c h SER 163 CO 0.85 0.09 -0.03 -0.61 -0.87 0.00 0.00 176.83 176.26 3d2c h GLN 164 N 0.00 0.32 -0.49 4.77 4.15 -1.97 -2.40 115.11 119.50 3d2c h GLN 164 Ca -0.00 -0.12 -0.04 0.00 0.77 0.00 0.00 58.65 59.26 3d2c h GLN 164 Cb 0.45 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.10 3d2c h GLN 164 CO 0.01 0.57 0.15 0.28 -1.93 0.00 0.00 178.83 177.91 3d2c h VAL 165 N 0.04 1.23 -0.48 2.39 2.07 -1.62 -2.92 116.25 116.96 3d2c h VAL 165 Ca 0.05 -0.78 0.10 0.00 0.82 0.00 0.00 66.70 66.89 3d2c h VAL 165 Cb 0.45 0.81 -0.09 0.00 -1.52 0.00 0.00 31.29 30.94 3d2c h VAL 165 CO 0.01 0.28 -0.14 1.88 0.02 0.00 0.00 177.57 179.63 3d2c h TYR 166 N 0.66 -0.31 -0.67 1.57 0.05 -0.82 0.41 116.97 117.86 3d2c h TYR 166 Ca 0.16 0.04 0.04 0.00 0.05 0.00 0.00 58.73 59.02 3d2c h TYR 166 Cb 0.28 0.21 -0.05 0.00 1.01 0.00 0.00 36.73 38.19 3d2c h TYR 166 CO 0.02 -0.23 0.40 0.77 -1.05 0.00 0.00 178.16 178.07 3d2c h SER 167 N -0.03 0.64 -0.45 3.88 0.02 -1.29 -1.16 113.55 115.16 3d2c h SER 167 Ca 0.23 0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 61.11 3d2c h SER 167 Cb 0.38 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.77 3d2c h SER 167 CO -0.50 0.43 -0.01 -0.07 -1.14 0.00 0.00 176.83 175.54 3d2c h LEU 168 N 0.77 0.85 -0.06 5.07 3.38 -1.12 -1.25 115.31 122.95 3d2c h LEU 168 Ca 0.28 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3d2c h LEU 168 Cb 0.08 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 3d2c h LEU 168 CO -0.13 0.92 0.04 0.40 0.09 0.00 0.00 178.44 179.75 3d2c h ILE 169 N 0.81 1.03 -0.44 1.22 2.04 -0.35 0.56 117.51 122.37 3d2c h ILE 169 Ca 0.15 -0.06 0.06 0.00 1.00 0.00 0.00 64.86 66.01 3d2c h ILE 169 Cb 0.50 0.96 -0.05 0.00 -0.74 0.00 0.00 36.82 37.49 3d2c h ILE 169 CO 0.02 0.02 0.14 0.50 0.00 0.00 0.00 178.15 178.83 3d2c h LYS 170 N 0.06 0.28 -0.64 2.37 3.64 -1.01 0.44 116.57 121.73 3d2c h LYS 170 Ca 0.02 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.44 3d2c h LYS 170 Cb 0.01 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 31.71 3d2c h LYS 170 CO -0.00 0.19 0.35 0.93 -2.27 0.00 0.00 179.45 178.64 3d2c h GLU 171 N 0.29 0.64 -0.50 1.90 5.08 -0.71 -1.48 114.58 119.79 3d2c h GLU 171 Ca 0.21 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.48 3d2c h GLU 171 Cb 0.22 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 3d2c h GLU 171 CO -0.23 0.42 0.10 0.78 -1.00 0.00 0.00 179.01 179.08 3d2c h GLY 172 N 0.66 0.88 2.00 -3.84 0.00 0.13 0.19 103.07 103.08 3d2c h GLY 172 Ca 0.28 -0.57 0.00 0.00 0.00 0.00 0.00 47.33 47.04 3d2c h GLY 172 CO -0.17 0.53 0.00 1.41 0.00 0.00 0.00 176.54 178.31 3d2c h LEU 173 N 0.70 0.00 -2.87 3.11 3.38 -0.64 -1.70 115.31 117.29 3d2c h LEU 173 Ca 0.15 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.06 3d2c h LEU 173 Cb 0.37 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 3d2c h LEU 173 CO 0.01 0.00 0.08 0.59 0.09 0.00 0.00 178.44 179.21 3d2c n ASN 174 N -2.77 4.15 0.00 -0.43 5.03 -0.59 -4.86 115.26 115.79 3d2c n ASN 174 Ca 0.01 -2.72 0.00 0.00 0.87 0.00 0.00 54.58 52.74 3d2c n ASN 174 Cb 0.27 -0.65 0.00 0.00 -1.02 0.00 0.00 39.78 38.38 3d2c n ASN 174 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3d2c n GLY 175 N 0.24 0.58 0.00 7.41 0.00 -0.64 -4.96 105.19 107.82 3d2c n GLY 175 Ca 0.23 -0.18 0.02 0.00 0.00 0.00 0.00 46.02 46.09 3d2c n GLY 175 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d2c n GLY 176 N -2.81 -0.82 0.00 -0.02 0.00 0.62 -4.80 105.19 97.36 3d2c n GLY 176 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 3d2c n GLY 176 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d2c n GLY 177 N 0.36 1.04 3.61 -0.02 0.00 -1.26 -4.76 105.19 104.16 3d2c n GLY 177 Ca 0.03 -1.68 -0.03 0.00 0.00 0.00 0.00 46.02 44.34 3d2c n GLY 177 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3d2c s GLN 178 N 1.40 0.62 -0.41 1.61 -2.07 -0.78 -4.78 119.66 115.24 3d2c s GLN 178 Ca 0.00 -0.29 0.06 0.00 -1.82 0.00 0.00 55.36 53.31 3d2c s GLN 178 Cb 0.00 0.24 0.17 0.00 -1.09 0.00 0.00 33.01 32.34 3d2c s GLN 178 CO 0.00 -0.28 0.56 1.21 -1.32 0.00 0.00 175.29 175.46 3d2c s ASN 179 N -2.63 -0.62 -0.19 12.60 3.84 -1.12 -1.30 114.94 125.51 3d2c s ASN 179 Ca 0.10 -1.21 -0.00 0.00 0.21 0.00 0.00 52.86 51.96 3d2c s ASN 179 Cb 0.01 1.46 0.14 0.00 -0.55 0.00 0.00 41.25 42.30 3d2c s ASN 179 CO -0.04 -0.18 1.97 0.35 -2.79 0.00 0.00 177.10 176.40 3d2c n THR 180 N 4.14 2.43 -0.22 -5.21 -2.24 -0.29 -5.02 114.28 107.86 3d2c n THR 180 Ca 0.13 -1.17 0.00 0.00 -2.27 0.00 0.00 64.05 60.73 3d2c n THR 180 Cb 0.53 -1.37 0.00 0.00 -2.10 0.00 0.00 70.33 67.39 3d2c n THR 180 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09