#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dho n GLY 2 N 0.00 -0.78 3.71 -5.12 0.00 -1.26 -5.01 105.19 96.73 3dho n GLY 2 Ca 0.00 -1.71 -0.29 0.00 0.00 0.00 0.00 46.02 44.03 3dho n GLY 2 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3dho s PRO 3 N -1.03 0.66 -0.38 1.61 0.04 -1.26 -5.00 135.00 129.63 3dho s PRO 3 Ca 0.00 0.47 -0.18 0.00 0.04 0.00 0.00 61.00 61.34 3dho s PRO 3 Cb 0.00 -1.77 0.01 0.00 0.04 0.00 0.00 34.50 32.78 3dho s PRO 3 CO 0.00 -2.57 0.47 1.21 0.04 0.00 0.00 177.00 176.15 3dho s ASN 4 N -3.60 6.25 0.07 6.66 3.84 -1.26 -4.94 114.94 121.94 3dho s ASN 4 Ca 0.65 -0.34 0.15 0.00 0.21 0.00 0.00 52.86 53.53 3dho s ASN 4 Cb -0.18 -2.24 0.66 0.00 -0.55 0.00 0.00 41.25 38.94 3dho s ASN 4 CO 0.56 -0.52 1.48 -0.81 -2.79 0.00 0.00 177.10 175.02 3dho n PRO 5 N 5.68 0.05 0.00 0.43 -0.04 -1.26 -1.96 135.00 137.90 3dho n PRO 5 Ca -0.06 0.32 0.13 0.00 -0.04 0.00 0.00 63.50 63.85 3dho n PRO 5 Cb 0.48 -1.60 0.33 0.00 -0.04 0.00 0.00 33.50 32.68 3dho n PRO 5 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 3dho n MET 6 N -1.68 1.11 -2.83 0.54 2.81 -1.26 -4.35 117.12 111.46 3dho n MET 6 Ca 0.03 -0.72 -0.41 0.00 -1.81 0.00 0.00 57.70 54.79 3dho n MET 6 Cb 0.16 -1.49 -0.04 0.00 -0.71 0.00 0.00 33.22 31.15 3dho n MET 6 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 3dho s LYS 7 N -2.39 4.43 0.39 0.03 1.02 -0.83 -4.79 119.74 117.60 3dho s LYS 7 Ca 0.26 1.19 0.09 0.00 0.02 0.00 0.00 55.97 57.53 3dho s LYS 7 Cb 0.19 -3.51 0.78 0.00 -0.52 0.00 0.00 37.83 34.78 3dho s LYS 7 CO 0.49 -0.16 1.91 0.00 -0.92 0.00 0.00 175.35 176.67 3dho h MET 8 N 7.00 0.24 -3.31 1.68 -0.00 -1.88 -3.33 114.93 115.33 3dho h MET 8 Ca -0.36 -0.06 -0.64 0.00 -0.00 0.00 0.00 59.70 58.65 3dho h MET 8 Cb 1.17 -0.03 -0.41 0.00 -0.00 0.00 0.00 31.60 32.33 3dho h MET 8 CO 0.80 0.38 -0.63 0.71 -0.00 0.00 0.00 176.91 178.17 3dho s TYR 9 N -4.73 3.14 0.42 -0.10 1.51 -1.26 -1.56 117.35 114.77 3dho s TYR 9 Ca -0.05 -3.15 0.35 0.00 -1.01 0.00 0.00 57.07 53.20 3dho s TYR 9 Cb 0.15 -2.73 1.76 0.00 -0.11 0.00 0.00 41.96 41.03 3dho s TYR 9 CO 0.73 -0.72 2.15 -1.00 -1.11 0.00 0.00 175.55 175.61 3dho h PRO 10 N 6.36 0.00 -4.78 -1.71 0.13 -1.75 -3.39 132.00 126.86 3dho h PRO 10 Ca -0.04 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.41 3dho h PRO 10 Cb 0.87 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 31.78 3dho h PRO 10 CO 0.68 0.05 -0.56 0.42 -0.23 0.00 0.00 178.00 178.36 3dho s ILE 11 N -4.06 4.58 0.09 -3.56 1.01 -1.26 -4.78 121.20 113.22 3dho s ILE 11 Ca -0.03 -0.44 -0.35 0.00 0.00 0.00 0.00 60.65 59.84 3dho s ILE 11 Cb 0.12 -3.34 -0.14 0.00 0.01 0.00 0.00 42.46 39.10 3dho s ILE 11 CO 0.52 0.06 1.56 1.21 0.00 0.00 0.00 174.94 178.28 3dho n GLU 12 N 4.98 1.83 -0.83 2.79 2.13 -1.26 -1.61 120.64 128.66 3dho n GLU 12 Ca -0.14 0.66 0.00 0.00 0.66 0.00 0.00 57.16 58.34 3dho n GLU 12 Cb 0.49 -2.40 0.00 0.00 0.27 0.00 0.00 31.44 29.80 3dho n GLU 12 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3dho n GLY 13 N 3.32 1.07 3.32 8.31 0.00 -1.26 -4.99 105.19 114.96 3dho n GLY 13 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 3dho n GLY 13 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3dho s ASN 14 N -3.06 5.06 0.00 1.61 3.84 -0.63 -4.95 114.94 116.82 3dho s ASN 14 Ca 0.00 -0.78 0.21 0.00 0.21 0.00 0.00 52.86 52.50 3dho s ASN 14 Cb 0.00 -1.86 0.40 0.00 -0.55 0.00 0.00 41.25 39.25 3dho s ASN 14 CO 0.00 -0.20 1.35 0.29 -2.79 0.00 0.00 177.10 175.75 3dho n LYS 15 N 4.84 2.41 -0.04 0.43 5.02 -1.26 -4.47 118.16 125.09 3dho n LYS 15 Ca -0.14 -2.22 -0.21 0.00 -2.02 0.00 0.00 58.31 53.72 3dho n LYS 15 Cb 0.47 -1.47 -0.13 0.00 -0.02 0.00 0.00 35.03 33.88 3dho n LYS 15 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 3dho h SER 16 N 4.09 0.22 -3.20 4.39 0.02 -1.92 -3.45 113.55 113.70 3dho h SER 16 Ca 0.00 -0.74 -0.58 0.00 -0.84 0.00 0.00 61.79 59.63 3dho h SER 16 Cb 0.93 -0.07 -0.07 0.00 0.14 0.00 0.00 62.40 63.33 3dho h SER 16 CO 0.00 1.62 0.61 -0.69 -1.14 0.00 0.00 176.83 177.23 3dho s VAL 17 N -2.44 4.77 -0.02 2.27 1.01 -1.26 -1.39 120.40 123.33 3dho s VAL 17 Ca -0.24 1.83 0.04 0.00 0.00 0.00 0.00 61.98 63.61 3dho s VAL 17 Cb 0.05 -4.23 -0.01 0.00 0.00 0.00 0.00 36.38 32.20 3dho s VAL 17 CO 0.69 -0.09 -0.15 -1.10 0.00 0.00 0.00 175.10 174.45 3dho s GLN 18 N 2.78 1.34 -0.13 2.72 -0.21 -0.52 -4.30 119.66 121.34 3dho s GLN 18 Ca 0.41 -0.52 -0.25 0.00 0.02 0.00 0.00 55.36 55.01 3dho s GLN 18 Cb -0.16 -1.25 -0.02 0.00 1.00 0.00 0.00 33.01 32.59 3dho s GLN 18 CO 0.09 0.27 0.82 -0.06 -2.12 0.00 0.00 175.29 174.29 3dho s PHE 19 N -0.15 3.48 0.09 0.91 2.99 -0.60 -0.37 117.98 124.34 3dho s PHE 19 Ca 0.02 1.31 -0.15 0.00 0.00 0.00 0.00 56.93 58.10 3dho s PHE 19 Cb -0.08 -2.98 -0.10 0.00 0.00 0.00 0.00 43.02 39.86 3dho s PHE 19 CO 0.00 -0.14 1.40 0.82 -0.00 0.00 0.00 175.22 177.30 3dho h ILE 20 N 5.05 1.31 0.09 0.64 2.04 -1.59 -3.31 117.51 121.73 3dho h ILE 20 Ca -0.33 -1.47 0.02 0.00 1.00 0.00 0.00 64.86 64.08 3dho h ILE 20 Cb 1.16 1.65 -0.05 0.00 -0.74 0.00 0.00 36.82 38.84 3dho h ILE 20 CO 0.81 0.46 -0.40 0.50 0.00 0.00 0.00 178.15 179.53 3dho h LYS 21 N 0.38 -0.59 0.00 2.37 3.64 -1.80 -1.18 116.57 119.40 3dho h LYS 21 Ca 0.04 0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.42 3dho h LYS 21 Cb 0.86 0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.81 3dho h LYS 21 CO 0.07 -0.39 -0.17 -1.00 -2.27 0.00 0.00 179.45 175.69 3dho h PRO 22 N -0.61 0.00 -0.58 1.90 0.13 -1.76 -1.29 132.00 129.79 3dho h PRO 22 Ca 0.03 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.07 3dho h PRO 22 Cb 0.65 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.76 3dho h PRO 22 CO -0.25 0.17 0.01 0.82 -0.23 0.00 0.00 178.00 178.52 3dho h ILE 23 N 0.00 1.26 -0.02 -3.56 2.04 -1.48 -3.24 117.51 112.52 3dho h ILE 23 Ca -0.00 -1.12 0.00 0.00 1.00 0.00 0.00 64.86 64.74 3dho h ILE 23 Cb 0.33 0.84 0.00 0.00 -0.74 0.00 0.00 36.82 37.24 3dho h ILE 23 CO 0.02 0.41 -0.25 0.18 0.00 0.00 0.00 178.15 178.51 3dho n LEU 24 N -4.23 1.86 0.17 1.44 4.77 -0.51 -4.42 117.00 116.08 3dho n LEU 24 Ca 0.02 -0.63 0.14 0.00 -0.03 0.00 0.00 56.01 55.51 3dho n LEU 24 Cb 0.33 -0.03 0.70 0.00 -2.33 0.00 0.00 43.42 42.09 3dho n LEU 24 CO 0.44 0.33 1.12 -0.08 -1.33 0.00 0.00 177.39 177.87 3dho h GLU 25 N 2.53 0.00 0.00 3.23 4.81 -1.28 0.12 114.58 123.99 3dho h GLU 25 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3dho h GLU 25 Cb 0.70 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.08 3dho h GLU 25 CO 0.00 0.00 0.00 1.57 -0.73 0.00 0.00 179.01 179.85 3dho h LYS 26 N 0.00 0.00 -5.85 1.92 2.10 -1.82 -3.44 116.57 109.47 3dho h LYS 26 Ca 0.10 0.00 -0.57 0.00 -2.00 0.00 0.00 60.65 58.17 3dho h LYS 26 Cb 0.40 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 31.66 3dho h LYS 26 CO -0.00 0.00 -0.01 -0.51 -2.00 0.00 0.00 179.45 176.93 3dho s LEU 27 N -5.29 4.28 0.46 7.07 1.43 0.42 -5.04 118.68 122.00 3dho s LEU 27 Ca 0.01 0.98 -0.23 0.00 -1.03 0.00 0.00 54.13 53.86 3dho s LEU 27 Cb 0.09 -2.89 -0.07 0.00 0.03 0.00 0.00 46.19 43.35 3dho s LEU 27 CO 0.42 -0.09 1.18 -0.70 0.23 0.00 0.00 176.35 177.39 3dho s GLU 28 N 0.87 3.75 -1.48 1.70 2.12 -1.26 -3.59 118.70 120.82 3dho s GLU 28 Ca 0.31 1.81 0.00 0.00 0.36 0.00 0.00 54.97 57.46 3dho s GLU 28 Cb -0.16 -2.43 0.00 0.00 0.26 0.00 0.00 34.13 31.80 3dho s GLU 28 CO 0.14 -0.57 0.00 0.09 -0.54 0.00 0.00 175.26 174.38 3dho n ASN 29 N -0.46 -4.74 -4.04 -1.70 3.02 -1.26 -4.96 115.26 101.12 3dho n ASN 29 Ca 0.07 0.18 -0.24 0.00 -0.03 0.00 0.00 54.58 54.57 3dho n ASN 29 Cb 0.48 -3.74 -0.16 0.00 -0.61 0.00 0.00 39.78 35.75 3dho n ASN 29 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3dho s VAL 30 N -2.67 1.12 -0.07 2.41 1.01 -1.24 -1.12 120.40 119.85 3dho s VAL 30 Ca 0.00 -0.50 0.02 0.00 0.00 0.00 0.00 61.98 61.50 3dho s VAL 30 Cb 0.00 -1.00 0.02 0.00 0.00 0.00 0.00 36.38 35.39 3dho s VAL 30 CO 0.00 0.34 -0.10 -0.70 0.00 0.00 0.00 175.10 174.64 3dho s GLU 31 N 0.45 1.51 -0.03 2.72 2.12 -0.25 -4.92 118.70 120.30 3dho s GLU 31 Ca -0.10 -0.33 0.02 0.00 0.36 0.00 0.00 54.97 54.92 3dho s GLU 31 Cb -0.13 -1.32 0.01 0.00 0.26 0.00 0.00 34.13 32.94 3dho s GLU 31 CO 0.03 -0.03 -0.08 0.08 -0.54 0.00 0.00 175.26 174.72 3dho s VAL 32 N 0.86 0.69 0.55 3.70 1.01 -1.26 -0.60 120.40 125.36 3dho s VAL 32 Ca -0.11 -0.30 -0.17 0.00 0.00 0.00 0.00 61.98 61.40 3dho s VAL 32 Cb -0.15 -0.63 -0.05 0.00 0.00 0.00 0.00 36.38 35.54 3dho s VAL 32 CO 0.01 0.23 1.05 -0.83 0.00 0.00 0.00 175.10 175.56 3dho s GLY 33 N 0.31 2.28 0.63 4.51 0.00 0.22 -4.77 107.32 110.50 3dho s GLY 33 Ca -0.05 0.48 -0.18 0.00 0.00 0.00 0.00 44.72 44.97 3dho s GLY 33 CO 0.00 0.80 1.28 -0.54 0.00 0.00 0.00 173.10 174.64 3dho s GLU 34 N -3.75 2.68 0.00 2.90 8.01 -1.26 -3.39 118.70 123.89 3dho s GLU 34 Ca 0.65 2.01 0.00 0.00 0.01 0.00 0.00 54.97 57.64 3dho s GLU 34 Cb -0.16 -1.88 0.00 0.00 -4.31 0.00 0.00 34.13 27.78 3dho s GLU 34 CO 0.30 -1.48 0.00 0.66 0.01 0.00 0.00 175.26 174.75 3dho n TYR 35 N -1.79 0.00 -1.68 1.61 4.02 -1.26 -2.30 117.16 115.75 3dho n TYR 35 Ca 0.15 0.00 -0.45 0.00 -0.01 0.00 0.00 57.90 57.59 3dho n TYR 35 Cb 0.48 -0.08 -0.03 0.00 -0.02 0.00 0.00 39.34 39.69 3dho n TYR 35 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 3dho n SER 36 N 0.00 3.07 -4.24 7.72 7.64 -1.22 -4.56 113.62 122.03 3dho n SER 36 Ca 0.00 1.12 -0.15 0.00 1.01 0.00 0.00 58.87 60.85 3dho n SER 36 Cb 0.00 -1.45 -0.10 0.00 -1.01 0.00 0.00 64.21 61.64 3dho n SER 36 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 3dho s TYR 37 N 0.37 1.28 -0.11 1.43 -0.85 -0.46 -1.47 117.35 117.54 3dho s TYR 37 Ca 0.72 -0.71 0.01 0.00 -0.52 0.00 0.00 57.07 56.58 3dho s TYR 37 Cb -0.63 -0.65 -0.01 0.00 0.38 0.00 0.00 41.96 41.04 3dho s TYR 37 CO 0.44 0.09 -0.16 -0.47 -1.52 0.00 0.00 175.55 173.94 3dho s TYR 38 N -3.02 2.74 -0.85 -3.49 5.04 0.50 -0.81 117.35 117.46 3dho s TYR 38 Ca 0.14 -0.64 -0.14 0.00 -2.44 0.00 0.00 57.07 53.99 3dho s TYR 38 Cb 0.01 -1.78 0.21 0.00 0.35 0.00 0.00 41.96 40.75 3dho s TYR 38 CO 0.01 -0.19 0.82 0.34 -1.34 0.00 0.00 175.55 175.20 3dho s ASP 39 N 0.17 6.77 0.38 4.32 2.15 -0.19 -1.44 116.67 128.83 3dho s ASP 39 Ca -0.09 -2.64 -0.27 0.00 0.43 0.00 0.00 52.55 49.98 3dho s ASP 39 Cb -0.15 -2.23 -0.11 0.00 -0.30 0.00 0.00 42.92 40.12 3dho s ASP 39 CO 0.05 -0.62 1.32 -0.24 -0.17 0.00 0.00 175.17 175.50 3dho n SER 40 N 4.25 2.85 -0.01 -0.34 2.88 -0.49 -2.20 113.62 120.57 3dho n SER 40 Ca 0.16 1.17 -0.17 0.00 -1.33 0.00 0.00 58.87 58.70 3dho n SER 40 Cb 0.47 -1.51 -0.13 0.00 -0.75 0.00 0.00 64.21 62.29 3dho n SER 40 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 3dho h LYS 41 N 2.43 0.18 0.00 -1.46 3.64 -1.90 -3.42 116.57 116.05 3dho h LYS 41 Ca -0.47 -0.27 -0.07 0.00 -1.27 0.00 0.00 60.65 58.57 3dho h LYS 41 Cb 1.28 0.09 -0.14 0.00 -0.41 0.00 0.00 32.23 33.05 3dho h LYS 41 CO 0.62 1.09 -0.63 0.09 -2.27 0.00 0.00 179.45 178.34 3dho n ASN 42 N -4.37 0.86 0.00 4.20 3.02 -1.26 -4.96 115.26 112.75 3dho n ASN 42 Ca -0.11 -2.36 0.00 0.00 -0.03 0.00 0.00 54.58 52.07 3dho n ASN 42 Cb 0.63 -0.30 0.00 0.00 -0.61 0.00 0.00 39.78 39.50 3dho n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dho n GLY 43 N -0.13 1.34 3.75 7.41 0.00 -1.26 -5.05 105.19 111.25 3dho n GLY 43 Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 3dho n GLY 43 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3dho s GLU 44 N -0.50 3.24 0.32 1.61 1.03 -1.26 -4.96 118.70 118.17 3dho s GLU 44 Ca 0.00 2.23 -0.07 0.00 0.03 0.00 0.00 54.97 57.15 3dho s GLU 44 Cb 0.00 -2.31 -0.06 0.00 -0.80 0.00 0.00 34.13 30.96 3dho s GLU 44 CO 0.00 -1.11 0.63 0.95 -1.33 0.00 0.00 175.26 174.40 3dho s THR 45 N -1.31 4.93 0.34 1.83 -4.23 -1.26 -4.77 115.64 111.17 3dho s THR 45 Ca 0.70 0.31 0.32 0.00 -1.18 0.00 0.00 61.69 61.84 3dho s THR 45 Cb -0.40 -3.71 0.35 0.00 1.34 0.00 0.00 72.50 70.07 3dho s THR 45 CO 0.48 -0.35 2.08 0.15 -0.54 0.00 0.00 174.62 176.44 3dho h PHE 46 N 1.67 0.00 -0.56 3.99 3.57 -1.97 -2.04 116.94 121.60 3dho h PHE 46 Ca -0.47 0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.12 3dho h PHE 46 Cb 1.19 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.89 3dho h PHE 46 CO 0.59 0.07 0.38 0.38 -2.23 0.00 0.00 178.31 177.50 3dho h ASP 47 N 0.00 0.34 0.68 0.41 2.03 -1.93 -0.37 116.42 117.57 3dho h ASP 47 Ca -0.00 0.01 0.00 0.00 -0.73 0.00 0.00 57.03 56.31 3dho h ASP 47 Cb 0.37 -0.06 0.00 0.00 -0.83 0.00 0.00 39.33 38.81 3dho h ASP 47 CO 0.01 0.21 0.00 0.11 -1.03 0.00 0.00 179.24 178.54 3dho h LYS 48 N 0.38 0.00 -0.00 4.15 1.79 -1.77 -2.91 116.57 118.21 3dho h LYS 48 Ca 0.26 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.73 3dho h LYS 48 Cb 0.52 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.17 3dho h LYS 48 CO -0.07 0.00 -0.36 1.04 -1.08 0.00 0.00 179.45 178.99 3dho n GLN 49 N -2.39 0.43 -3.53 3.15 1.13 -0.15 -4.79 117.38 111.23 3dho n GLN 49 Ca 0.01 -0.24 -0.40 0.00 -1.94 0.00 0.00 57.00 54.43 3dho n GLN 49 Cb 0.22 -1.49 -0.11 0.00 0.11 0.00 0.00 30.24 28.97 3dho n GLN 49 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3dho s ILE 50 N -2.74 5.27 -0.03 5.09 1.01 -1.10 -0.90 121.20 127.80 3dho s ILE 50 Ca 0.18 -0.23 0.03 0.00 0.00 0.00 0.00 60.65 60.64 3dho s ILE 50 Cb 0.18 -3.71 -0.03 0.00 0.01 0.00 0.00 42.46 38.91 3dho s ILE 50 CO 0.60 -0.01 -0.11 -0.76 0.00 0.00 0.00 174.94 174.66 3dho s LEU 51 N 1.72 2.96 -1.47 2.97 1.43 0.18 -4.66 118.68 121.81 3dho s LEU 51 Ca 0.06 -0.16 -0.04 0.00 -1.03 0.00 0.00 54.13 52.96 3dho s LEU 51 Cb -0.17 -1.66 0.00 0.00 0.03 0.00 0.00 46.19 44.39 3dho s LEU 51 CO 0.10 0.32 0.58 -1.22 0.23 0.00 0.00 176.35 176.37 3dho n TYR 52 N 1.99 -1.86 -3.36 0.29 0.53 -1.26 -0.86 117.16 112.63 3dho n TYR 52 Ca -0.17 0.50 -0.45 0.00 -1.02 0.00 0.00 57.90 56.76 3dho n TYR 52 Cb 0.52 -4.32 -0.07 0.00 -1.03 0.00 0.00 39.34 34.44 3dho n TYR 52 CO 0.00 0.00 0.00 -1.58 -1.02 0.00 0.00 176.86 174.26 3dho s HIS 53 N -3.15 3.23 -0.18 -0.72 2.46 -1.26 -0.66 115.29 115.01 3dho s HIS 53 Ca 0.29 -0.96 -0.01 0.00 0.47 0.00 0.00 55.06 54.85 3dho s HIS 53 Cb -0.13 -3.30 0.00 0.00 -0.13 0.00 0.00 32.58 29.03 3dho s HIS 53 CO 0.36 -0.85 -0.14 0.71 -2.47 0.00 0.00 174.74 172.35 3dho s TYR 54 N 1.71 2.83 0.36 3.88 2.02 -1.26 -5.02 117.35 121.86 3dho s TYR 54 Ca 0.05 -1.19 0.13 0.00 -0.37 0.00 0.00 57.07 55.69 3dho s TYR 54 Cb -0.25 -1.96 0.97 0.00 -0.40 0.00 0.00 41.96 40.32 3dho s TYR 54 CO 0.06 -0.59 1.76 -1.35 -1.57 0.00 0.00 175.55 173.86 3dho h PRO 55 N 7.72 0.50 -0.71 -1.71 0.11 -1.93 -1.53 132.00 134.45 3dho h PRO 55 Ca -0.39 -0.03 0.15 0.00 0.11 0.00 0.00 66.00 65.84 3dho h PRO 55 Cb 1.17 -0.11 -0.04 0.00 0.11 0.00 0.00 31.00 32.12 3dho h PRO 55 CO 0.60 0.33 0.48 0.97 -0.21 0.00 0.00 178.00 180.17 3dho h ILE 56 N 0.52 0.79 0.00 4.15 2.10 -1.99 -1.02 117.51 122.06 3dho h ILE 56 Ca 0.61 -0.11 0.00 0.00 1.08 0.00 0.00 64.86 66.44 3dho h ILE 56 Cb 1.31 0.42 0.00 0.00 -1.09 0.00 0.00 36.82 37.46 3dho h ILE 56 CO -0.37 0.06 -0.04 0.18 -1.08 0.00 0.00 178.15 176.90 3dho n LEU 57 N -4.46 0.44 -0.72 2.19 4.77 -0.57 -4.92 117.00 113.73 3dho n LEU 57 Ca 0.13 0.51 -0.09 0.00 -0.03 0.00 0.00 56.01 56.53 3dho n LEU 57 Cb 0.54 -0.39 -0.04 0.00 -2.33 0.00 0.00 43.42 41.20 3dho n LEU 57 CO 0.34 -0.09 -0.09 -3.20 -1.33 0.00 0.00 177.39 173.02 3dho n ASN 58 N -1.90 -5.63 -4.78 -1.43 4.05 -0.39 -4.98 115.26 100.21 3dho n ASN 58 Ca 0.06 0.23 -0.36 0.00 0.45 0.00 0.00 54.58 54.96 3dho n ASN 58 Cb 0.39 -4.02 -0.03 0.00 1.23 0.00 0.00 39.78 37.35 3dho n ASN 58 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 177.26 175.72 3dho s ASP 59 N -2.30 6.41 0.05 1.20 -4.77 -1.26 -5.05 116.67 110.95 3dho s ASP 59 Ca 0.00 2.12 0.07 0.00 -3.30 0.00 0.00 52.55 51.45 3dho s ASP 59 Cb 0.00 -2.59 -0.03 0.00 -1.09 0.00 0.00 42.92 39.21 3dho s ASP 59 CO 0.00 -0.74 -0.19 -0.54 0.70 0.00 0.00 175.17 174.40 3dho s LYS 60 N -2.74 2.01 -0.16 2.11 1.02 -1.26 -4.90 119.74 115.82 3dho s LYS 60 Ca 0.62 -1.01 -0.01 0.00 0.02 0.00 0.00 55.97 55.59 3dho s LYS 60 Cb -0.23 -2.16 -0.01 0.00 -0.52 0.00 0.00 37.83 34.90 3dho s LYS 60 CO 0.29 0.53 -0.10 -1.17 -0.92 0.00 0.00 175.35 173.98 3dho s LEU 61 N -1.48 2.81 -0.05 3.17 2.96 -0.28 -1.11 118.68 124.71 3dho s LEU 61 Ca 0.15 -0.32 0.03 0.00 -0.22 0.00 0.00 54.13 53.76 3dho s LEU 61 Cb -0.10 -1.66 0.01 0.00 0.50 0.00 0.00 46.19 44.93 3dho s LEU 61 CO 0.05 0.12 -0.13 -0.54 -1.32 0.00 0.00 176.35 174.54 3dho s LYS 62 N 0.64 1.50 -0.05 1.98 1.02 -0.15 -1.09 119.74 123.57 3dho s LYS 62 Ca -0.06 -0.44 0.03 0.00 0.02 0.00 0.00 55.97 55.53 3dho s LYS 62 Cb -0.15 -1.29 0.01 0.00 -0.52 0.00 0.00 37.83 35.87 3dho s LYS 62 CO 0.03 0.12 -0.13 0.42 -0.92 0.00 0.00 175.35 174.86 3dho s ILE 63 N 0.35 1.14 0.00 2.17 1.01 0.23 -0.33 121.20 125.76 3dho s ILE 63 Ca -0.08 -0.51 0.00 0.00 0.00 0.00 0.00 60.65 60.06 3dho s ILE 63 Cb -0.12 -1.02 0.00 0.00 0.01 0.00 0.00 42.46 41.33 3dho s ILE 63 CO 0.02 0.35 0.00 0.61 0.00 0.00 0.00 174.94 175.92 3dho n GLY 64 N 3.55 -1.67 3.94 6.18 0.00 0.32 -0.61 105.19 116.89 3dho n GLY 64 Ca -0.21 -1.51 -0.24 0.00 0.00 0.00 0.00 46.02 44.06 3dho n GLY 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dho s LYS 65 N -0.99 3.49 -1.38 1.61 1.02 -1.26 -2.67 119.74 119.56 3dho s LYS 65 Ca 0.00 -0.37 -0.04 0.00 0.02 0.00 0.00 55.97 55.58 3dho s LYS 65 Cb 0.00 -2.72 0.02 0.00 -0.52 0.00 0.00 37.83 34.61 3dho s LYS 65 CO 0.00 0.23 0.30 1.19 -0.92 0.00 0.00 175.35 176.15 3dho n PHE 66 N -1.50 -1.60 -2.91 3.18 3.72 -0.97 -0.61 117.46 116.76 3dho n PHE 66 Ca -0.05 0.27 -0.32 0.00 -0.05 0.00 0.00 57.45 57.30 3dho n PHE 66 Cb 0.56 -3.51 -0.05 0.00 -0.94 0.00 0.00 39.48 35.54 3dho n PHE 66 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3dho s SER 68 N -2.71 4.31 -0.28 0.00 0.01 -0.18 -1.35 113.70 113.49 3dho s SER 68 Ca 0.54 -1.33 -0.07 0.00 1.31 0.00 0.00 55.95 56.40 3dho s SER 68 Cb -0.10 -1.50 -0.00 0.00 0.21 0.00 0.00 66.02 64.62 3dho s SER 68 CO 0.24 -0.19 0.09 -0.63 0.41 0.00 0.00 173.24 173.16 3dho s ILE 69 N 1.15 4.15 0.87 1.44 -1.09 0.01 -1.01 121.20 126.72 3dho s ILE 69 Ca -0.08 -0.49 -0.12 0.00 -2.23 0.00 0.00 60.65 57.73 3dho s ILE 69 Cb -0.19 -3.07 0.11 0.00 -1.58 0.00 0.00 42.46 37.72 3dho s ILE 69 CO -0.06 0.16 1.11 -0.83 -1.23 0.00 0.00 174.94 174.09 3dho s GLY 70 N 1.55 1.60 0.32 6.18 0.00 0.85 -1.02 107.32 116.81 3dho s GLY 70 Ca 0.04 -0.28 -0.29 0.00 0.00 0.00 0.00 44.72 44.19 3dho s GLY 70 CO 0.03 0.21 1.46 2.56 0.00 0.00 0.00 173.10 177.37 3dho s PRO 71 N -5.13 4.20 0.00 2.90 0.04 -0.93 -2.99 135.00 133.10 3dho s PRO 71 Ca 0.62 2.43 0.00 0.00 0.04 0.00 0.00 61.00 64.09 3dho s PRO 71 Cb -0.16 -3.04 0.00 0.00 0.04 0.00 0.00 34.50 31.35 3dho s PRO 71 CO 0.55 -0.45 0.00 0.41 0.04 0.00 0.00 177.00 177.55 3dho n GLY 72 N 1.35 1.35 3.64 0.56 0.00 -1.26 -1.01 105.19 109.82 3dho n GLY 72 Ca 0.04 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.59 3dho n GLY 72 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3dho n VAL 73 N -2.00 0.43 -5.06 1.61 0.31 -1.16 -4.30 118.33 108.17 3dho n VAL 73 Ca 0.00 -0.11 -0.30 0.00 -0.01 0.00 0.00 64.34 63.92 3dho n VAL 73 Cb 0.00 -1.29 -0.15 0.00 -0.91 0.00 0.00 33.84 31.49 3dho n VAL 73 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 3dho s THR 74 N 0.36 2.08 -0.24 2.52 -4.23 -0.47 -4.80 115.64 110.86 3dho s THR 74 Ca 0.76 -1.26 -0.03 0.00 -1.18 0.00 0.00 61.69 59.97 3dho s THR 74 Cb -0.74 -1.76 0.01 0.00 1.34 0.00 0.00 72.50 71.35 3dho s THR 74 CO 0.45 0.45 -0.04 -0.63 -0.54 0.00 0.00 174.62 174.30 3dho s ILE 75 N -0.72 3.17 -0.38 2.99 1.01 -0.08 -0.95 121.20 126.25 3dho s ILE 75 Ca 0.11 -0.75 -0.14 0.00 0.00 0.00 0.00 60.65 59.87 3dho s ILE 75 Cb -0.10 -2.53 0.00 0.00 0.01 0.00 0.00 42.46 39.85 3dho s ILE 75 CO 0.01 0.30 0.28 -0.63 0.00 0.00 0.00 174.94 174.90 3dho s ILE 76 N 1.41 5.26 0.00 2.92 -1.09 0.58 -0.65 121.20 129.63 3dho s ILE 76 Ca 0.03 -0.43 0.00 0.00 -2.23 0.00 0.00 60.65 58.02 3dho s ILE 76 Cb -0.15 -3.83 0.00 0.00 -1.58 0.00 0.00 42.46 36.89 3dho s ILE 76 CO -0.04 -0.17 0.00 0.23 -1.23 0.00 0.00 174.94 173.73 3dho n MET 77 N 5.15 0.68 -0.03 2.79 2.81 -0.04 -2.27 117.12 126.20 3dho n MET 77 Ca -0.12 0.00 0.12 0.00 -1.81 0.00 0.00 57.70 55.90 3dho n MET 77 Cb 0.48 0.00 0.52 0.00 -0.71 0.00 0.00 33.22 33.51 3dho n MET 77 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3dho n ASN 78 N -2.66 1.17 0.13 7.83 3.02 -1.21 -4.35 115.26 119.20 3dho n ASN 78 Ca 0.00 -1.52 0.12 0.00 -0.03 0.00 0.00 54.58 53.15 3dho n ASN 78 Cb 0.00 -0.04 0.49 0.00 -0.61 0.00 0.00 39.78 39.62 3dho n ASN 78 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dho n GLY 79 N 1.08 -1.21 1.01 7.41 0.00 0.16 -2.32 105.19 111.32 3dho n GLY 79 Ca 0.18 0.09 0.12 0.00 0.00 0.00 0.00 46.02 46.41 3dho n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dho n ALA 80 N -1.76 2.45 -1.80 4.61 0.00 -1.26 -4.97 120.51 117.78 3dho n ALA 80 Ca 0.02 -0.79 -0.42 0.00 0.00 0.00 0.00 53.44 52.25 3dho n ALA 80 Cb 0.20 -0.85 -0.02 0.00 0.00 0.00 0.00 19.45 18.78 3dho n ALA 80 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3dho s ASN 81 N -1.81 6.45 0.24 0.00 0.01 -0.98 -5.02 114.94 113.83 3dho s ASN 81 Ca 0.32 2.85 -0.03 0.00 -0.71 0.00 0.00 52.86 55.29 3dho s ASN 81 Cb 0.21 -2.62 -0.05 0.00 0.41 0.00 0.00 41.25 39.20 3dho s ASN 81 CO 0.31 -0.88 0.46 -1.00 -1.51 0.00 0.00 177.10 174.48 3dho s HIS 82 N 0.34 3.48 0.32 2.20 3.76 -1.26 -4.93 115.29 119.21 3dho s HIS 82 Ca 0.65 0.48 -0.29 0.00 -0.15 0.00 0.00 55.06 55.76 3dho s HIS 82 Cb -0.47 -1.97 -0.10 0.00 1.11 0.00 0.00 32.58 31.15 3dho s HIS 82 CO 0.42 0.29 1.40 0.50 -0.85 0.00 0.00 174.74 176.51 3dho s ARG 83 N -3.38 4.25 0.00 1.40 3.52 -1.26 -4.49 118.95 118.99 3dho s ARG 83 Ca 0.41 2.35 0.01 0.00 -0.13 0.00 0.00 55.73 58.38 3dho s ARG 83 Cb -0.11 -3.05 0.02 0.00 -1.56 0.00 0.00 34.95 30.25 3dho s ARG 83 CO 0.29 -0.36 0.94 0.00 -0.81 0.00 0.00 175.30 175.35 3dho n MET 84 N 1.17 0.00 0.10 5.12 0.00 -1.26 -3.87 117.12 118.38 3dho n MET 84 Ca 0.02 -0.90 0.12 0.00 0.00 0.00 0.00 57.70 56.95 3dho n MET 84 Cb 0.40 -0.40 0.45 0.00 0.00 0.00 0.00 33.22 33.68 3dho n MET 84 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 175.97 175.57 3dho n ASP 85 N 0.02 0.66 0.00 3.17 5.75 -1.26 -4.87 116.55 120.02 3dho n ASP 85 Ca 0.00 0.60 0.00 0.00 -0.01 0.00 0.00 54.79 55.38 3dho n ASP 85 Cb 0.69 -0.76 0.00 0.00 -1.03 0.00 0.00 41.12 40.02 3dho n ASP 85 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3dho n GLY 86 N 0.80 4.43 3.76 6.12 0.00 -1.26 -5.12 105.19 113.92 3dho n GLY 86 Ca 0.04 -0.50 -0.41 0.00 0.00 0.00 0.00 46.02 45.15 3dho n GLY 86 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3dho s SER 87 N 1.27 6.54 0.00 1.61 0.15 -1.26 -4.90 113.70 117.11 3dho s SER 87 Ca 0.00 2.83 0.30 0.00 0.70 0.00 0.00 55.95 59.78 3dho s SER 87 Cb 0.00 -2.64 1.45 0.00 -1.71 0.00 0.00 66.02 63.12 3dho s SER 87 CO 0.00 -0.75 1.98 0.35 1.20 0.00 0.00 173.24 176.01 3dho n THR 88 N 1.47 0.00 -2.28 6.45 -2.24 -1.25 -4.62 114.28 111.81 3dho n THR 88 Ca 0.04 -0.09 -0.42 0.00 -2.27 0.00 0.00 64.05 61.30 3dho n THR 88 Cb 0.40 -0.08 -0.03 0.00 -2.10 0.00 0.00 70.33 68.52 3dho n THR 88 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3dho s TYR 89 N -2.14 2.91 -1.33 4.78 6.14 -1.26 -4.73 117.35 121.72 3dho s TYR 89 Ca 0.39 0.90 -0.10 0.00 0.64 0.00 0.00 57.07 58.90 3dho s TYR 89 Cb 0.21 -3.61 0.13 0.00 0.42 0.00 0.00 41.96 39.11 3dho s TYR 89 CO 0.39 -2.20 2.03 -0.35 0.64 0.00 0.00 175.55 176.06 3dho n PRO 90 N 5.40 3.57 -0.31 4.97 -0.04 -1.26 -4.78 135.00 142.55 3dho n PRO 90 Ca 0.13 -3.30 0.11 0.00 -0.04 0.00 0.00 63.50 60.40 3dho n PRO 90 Cb 0.44 -2.96 0.24 0.00 -0.04 0.00 0.00 33.50 31.18 3dho n PRO 90 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 3dho h PHE 91 N 5.66 -0.06 -1.03 0.54 -1.00 -1.91 -0.74 116.94 118.38 3dho h PHE 91 Ca 0.47 0.07 0.26 0.00 2.81 0.00 0.00 57.97 61.58 3dho h PHE 91 Cb 0.59 0.18 -0.10 0.00 3.61 0.00 0.00 35.95 40.23 3dho h PHE 91 CO 1.34 -0.36 0.66 -2.95 -1.61 0.00 0.00 178.31 175.39 3dho h ASN 92 N 0.05 0.48 -0.10 2.17 -1.07 -1.81 -1.44 115.58 113.87 3dho h ASN 92 Ca 0.53 0.09 0.03 0.00 0.07 0.00 0.00 56.30 57.02 3dho h ASN 92 Cb 1.02 0.01 -0.00 0.00 -2.07 0.00 0.00 38.32 37.28 3dho h ASN 92 CO -0.84 0.09 0.08 0.25 0.07 0.00 0.00 177.43 177.09 3dho h LEU 93 N 0.42 0.00 -0.56 6.14 5.85 -1.45 -2.87 115.31 122.84 3dho h LEU 93 Ca 0.60 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.32 3dho h LEU 93 Cb 1.46 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.49 3dho h LEU 93 CO -0.32 0.00 -0.33 0.49 -0.34 0.00 0.00 178.44 177.95 3dho n PHE 94 N -4.25 0.00 -4.32 1.25 3.01 -0.54 -5.04 117.46 107.57 3dho n PHE 94 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.45 3dho n PHE 94 Cb 0.19 -0.10 0.00 0.00 -0.01 0.00 0.00 39.48 39.56 3dho n PHE 94 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3dho n GLY 95 N 1.37 2.62 3.94 1.37 0.00 -1.08 -4.90 105.19 108.50 3dho n GLY 95 Ca 0.11 -0.37 -0.25 0.00 0.00 0.00 0.00 46.02 45.51 3dho n GLY 95 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3dho n ASN 96 N 0.26 0.58 0.00 1.61 5.15 -1.26 -1.50 115.26 120.10 3dho n ASN 96 Ca 0.00 -1.01 0.00 0.00 -0.60 0.00 0.00 54.58 52.97 3dho n ASN 96 Cb 0.00 -1.25 0.00 0.00 -0.53 0.00 0.00 39.78 38.00 3dho n ASN 96 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3dho n GLY 97 N -2.24 2.43 0.14 8.20 0.00 -1.26 -4.90 105.19 107.56 3dho n GLY 97 Ca -0.25 -0.02 0.13 0.00 0.00 0.00 0.00 46.02 45.87 3dho n GLY 97 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3dho h TRP 98 N 0.00 0.00 0.00 1.61 6.55 -1.57 -3.01 115.95 119.53 3dho h TRP 98 Ca 0.00 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.84 3dho h TRP 98 Cb 0.00 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.30 3dho h TRP 98 CO 0.00 0.00 0.00 1.05 -1.05 0.00 0.00 178.44 178.44 3dho h GLU 99 N 0.00 0.00 0.00 0.49 9.09 -1.74 0.12 114.58 122.54 3dho h GLU 99 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3dho h GLU 99 Cb 0.49 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.59 3dho h GLU 99 CO 0.00 0.00 0.00 1.57 0.05 0.00 0.00 179.01 180.63 3dho h LYS 100 N 0.00 0.00 -0.66 1.06 2.10 -1.88 -2.66 116.57 114.53 3dho h LYS 100 Ca 0.00 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.58 3dho h LYS 100 Cb 0.03 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.32 3dho h LYS 100 CO 0.00 0.00 0.09 0.72 -2.00 0.00 0.00 179.45 178.26 3dho n HIS 101 N -3.06 2.11 -1.66 0.07 8.25 0.03 -4.97 115.22 115.98 3dho n HIS 101 Ca -0.02 -0.84 -0.46 0.00 -0.26 0.00 0.00 57.72 56.14 3dho n HIS 101 Cb 0.13 -0.55 -0.04 0.00 1.12 0.00 0.00 29.99 30.65 3dho n HIS 101 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 3dho n MET 102 N 0.36 1.99 -2.08 -0.41 2.81 -1.01 -4.57 117.12 114.21 3dho n MET 102 Ca 0.30 0.71 -0.39 0.00 -1.81 0.00 0.00 57.70 56.52 3dho n MET 102 Cb 1.21 -2.42 -0.00 0.00 -0.71 0.00 0.00 33.22 31.31 3dho n MET 102 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 3dho s PRO 103 N 0.30 3.83 0.60 0.03 0.04 -1.26 -5.01 135.00 133.53 3dho s PRO 103 Ca 0.75 2.07 -0.16 0.00 0.04 0.00 0.00 61.00 63.70 3dho s PRO 103 Cb -0.70 -2.62 -0.03 0.00 0.04 0.00 0.00 34.50 31.19 3dho s PRO 103 CO 0.44 -0.58 1.06 0.15 0.04 0.00 0.00 177.00 178.12 3dho s LYS 104 N -2.41 3.24 0.41 4.56 -0.14 -1.26 -4.93 119.74 119.21 3dho s LYS 104 Ca 0.60 1.23 0.13 0.00 -1.36 0.00 0.00 55.97 56.56 3dho s LYS 104 Cb -0.36 -2.02 0.97 0.00 -1.68 0.00 0.00 37.83 34.74 3dho s LYS 104 CO 0.45 -0.88 1.94 -0.07 -0.76 0.00 0.00 175.35 176.03 3dho h LEU 105 N 0.37 0.46 -0.12 3.17 3.38 -1.96 0.10 115.31 120.71 3dho h LEU 105 Ca -0.47 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.52 3dho h LEU 105 Cb 1.22 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.90 3dho h LEU 105 CO 0.57 0.26 0.00 -0.90 0.09 0.00 0.00 178.44 178.46 3dho n ASP 106 N -4.49 0.18 -0.26 -0.43 5.75 -1.26 -2.59 116.55 113.45 3dho n ASP 106 Ca 0.13 -1.26 0.11 0.00 -0.01 0.00 0.00 54.79 53.77 3dho n ASP 106 Cb 0.43 -0.01 0.08 0.00 -1.03 0.00 0.00 41.12 40.59 3dho n ASP 106 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3dho n GLN 107 N -0.77 0.69 -3.39 0.11 6.02 0.35 -4.91 117.38 115.48 3dho n GLN 107 Ca 0.19 -0.53 -0.37 0.00 -0.01 0.00 0.00 57.00 56.28 3dho n GLN 107 Cb 0.12 -1.49 -0.06 0.00 1.02 0.00 0.00 30.24 29.82 3dho n GLN 107 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3dho s LEU 108 N -2.67 4.28 0.30 1.08 1.43 -1.07 -4.60 118.68 117.42 3dho s LEU 108 Ca 0.16 0.73 -0.30 0.00 -1.03 0.00 0.00 54.13 53.70 3dho s LEU 108 Cb 0.18 -2.59 -0.12 0.00 0.03 0.00 0.00 46.19 43.69 3dho s LEU 108 CO 0.65 0.05 1.55 -2.65 0.23 0.00 0.00 176.35 176.18 3dho n PRO 109 N 3.52 2.60 -4.12 1.29 -0.02 -1.26 -4.99 135.00 132.01 3dho n PRO 109 Ca -0.09 0.92 -0.32 0.00 -2.02 0.00 0.00 63.50 61.99 3dho n PRO 109 Cb 0.52 -2.68 -0.16 0.00 -0.02 0.00 0.00 33.50 31.16 3dho n PRO 109 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3dho s ILE 110 N -0.16 1.95 -0.27 4.25 -1.09 -1.26 -4.92 121.20 119.70 3dho s ILE 110 Ca 0.63 -0.87 0.22 0.00 -2.23 0.00 0.00 60.65 58.40 3dho s ILE 110 Cb -0.52 -1.77 0.27 0.00 -1.58 0.00 0.00 42.46 38.86 3dho s ILE 110 CO 0.51 0.52 1.62 0.11 -1.23 0.00 0.00 174.94 176.47 3dho h LYS 111 N 7.94 0.00 0.00 2.79 1.57 -1.94 -3.50 116.57 123.43 3dho h LYS 111 Ca -0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 3dho h LYS 111 Cb 1.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.45 3dho h LYS 111 CO 0.61 0.14 0.00 0.41 -0.57 0.00 0.00 179.45 180.05 3dho n GLY 112 N 0.94 0.65 3.87 3.86 0.00 -1.26 -4.49 105.19 108.77 3dho n GLY 112 Ca 0.03 -2.20 -0.31 0.00 0.00 0.00 0.00 46.02 43.54 3dho n GLY 112 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3dho s ASP 113 N -2.31 6.19 -0.21 1.61 1.01 -1.26 -3.61 116.67 118.09 3dho s ASP 113 Ca 0.00 1.37 -0.06 0.00 0.71 0.00 0.00 52.55 54.57 3dho s ASP 113 Cb 0.00 -2.43 -0.03 0.00 1.01 0.00 0.00 42.92 41.48 3dho s ASP 113 CO 0.00 -0.87 0.02 -0.89 0.21 0.00 0.00 175.17 173.64 3dho s THR 114 N -3.16 4.08 -0.20 -1.27 2.01 -0.27 -3.45 115.64 113.39 3dho s THR 114 Ca 0.55 -0.26 -0.00 0.00 0.31 0.00 0.00 61.69 62.28 3dho s THR 114 Cb -0.11 -2.86 0.05 0.00 0.01 0.00 0.00 72.50 69.59 3dho s THR 114 CO 0.53 0.41 -0.04 -0.63 -0.69 0.00 0.00 174.62 174.20 3dho s ILE 115 N 1.12 1.22 -0.17 1.82 1.01 -0.05 -0.98 121.20 125.15 3dho s ILE 115 Ca 0.03 -0.90 -0.06 0.00 0.00 0.00 0.00 60.65 59.72 3dho s ILE 115 Cb -0.14 -1.49 -0.04 0.00 0.01 0.00 0.00 42.46 40.80 3dho s ILE 115 CO 0.02 -0.03 0.04 -0.63 0.00 0.00 0.00 174.94 174.33 3dho s ILE 116 N 1.56 4.56 0.00 2.92 1.01 0.55 -0.07 121.20 131.72 3dho s ILE 116 Ca -0.03 -0.12 0.00 0.00 0.00 0.00 0.00 60.65 60.50 3dho s ILE 116 Cb -0.17 -3.04 0.00 0.00 0.01 0.00 0.00 42.46 39.26 3dho s ILE 116 CO -0.07 0.47 0.00 0.61 0.00 0.00 0.00 174.94 175.95 3dho n GLY 117 N 3.48 -0.29 3.91 6.18 0.00 0.29 -0.52 105.19 118.24 3dho n GLY 117 Ca -0.17 -1.54 -0.30 0.00 0.00 0.00 0.00 46.02 44.00 3dho n GLY 117 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3dho s ASN 118 N -1.06 6.44 -1.46 1.61 0.01 -1.26 -2.23 114.94 116.99 3dho s ASN 118 Ca 0.00 0.48 -0.09 0.00 -0.71 0.00 0.00 52.86 52.53 3dho s ASN 118 Cb 0.00 -2.04 0.04 0.00 0.41 0.00 0.00 41.25 39.65 3dho s ASN 118 CO 0.00 0.06 0.87 -0.67 -1.51 0.00 0.00 177.10 175.85 3dho n ASP 119 N -0.03 -5.56 -4.79 -1.22 4.64 0.22 -0.79 116.55 109.03 3dho n ASP 119 Ca -0.03 -0.51 -0.36 0.00 -1.38 0.00 0.00 54.79 52.50 3dho n ASP 119 Cb 0.52 -4.44 -0.07 0.00 -1.04 0.00 0.00 41.12 36.09 3dho n ASP 119 CO 0.00 0.00 0.00 -0.69 -0.82 0.00 0.00 177.20 175.69 3dho s VAL 120 N -3.22 5.43 -0.26 5.18 1.01 -1.26 -3.07 120.40 124.21 3dho s VAL 120 Ca 0.50 0.25 -0.07 0.00 0.00 0.00 0.00 61.98 62.67 3dho s VAL 120 Cb -0.24 -3.47 -0.02 0.00 0.00 0.00 0.00 36.38 32.66 3dho s VAL 120 CO 0.62 0.51 0.06 0.86 0.00 0.00 0.00 175.10 177.15 3dho s TRP 121 N -0.19 3.08 -0.28 5.22 -0.00 -0.86 -1.01 118.94 124.89 3dho s TRP 121 Ca 0.12 -0.64 -0.07 0.00 -0.00 0.00 0.00 56.10 55.51 3dho s TRP 121 Cb -0.12 -2.22 0.00 0.00 -0.00 0.00 0.00 33.47 31.13 3dho s TRP 121 CO 0.01 -0.45 0.07 0.42 -0.00 0.00 0.00 176.95 177.01 3dho s ILE 122 N 1.57 3.99 0.98 5.86 -1.09 -0.18 -0.82 121.20 131.51 3dho s ILE 122 Ca 0.05 -0.60 -0.12 0.00 -2.23 0.00 0.00 60.65 57.75 3dho s ILE 122 Cb -0.15 -3.02 0.18 0.00 -1.58 0.00 0.00 42.46 37.89 3dho s ILE 122 CO 0.02 0.14 1.09 -0.83 -1.23 0.00 0.00 174.94 174.13 3dho s GLY 123 N 1.52 1.58 0.14 6.18 0.00 0.13 -0.10 107.32 116.76 3dho s GLY 123 Ca 0.03 -0.24 -0.34 0.00 0.00 0.00 0.00 44.72 44.18 3dho s GLY 123 CO 0.02 0.34 1.05 1.17 0.00 0.00 0.00 173.10 175.69 3dho n LYS 124 N -4.16 0.75 -1.29 2.90 4.81 -1.26 -2.86 118.16 117.05 3dho n LYS 124 Ca 0.06 0.27 -0.10 0.00 -0.87 0.00 0.00 58.31 57.66 3dho n LYS 124 Cb 0.56 -1.69 -0.04 0.00 0.02 0.00 0.00 35.03 33.88 3dho n LYS 124 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3dho n ASP 125 N 1.92 -5.47 -4.77 3.14 10.43 -0.18 -0.51 116.55 121.11 3dho n ASP 125 Ca 0.17 0.25 -0.40 0.00 2.57 0.00 0.00 54.79 57.38 3dho n ASP 125 Cb 0.21 -3.85 -0.01 0.00 1.84 0.00 0.00 41.12 39.32 3dho n ASP 125 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 3dho s VAL 126 N -1.95 2.61 -0.20 2.53 1.01 -1.13 -4.39 120.40 118.87 3dho s VAL 126 Ca 0.00 0.55 -0.05 0.00 0.00 0.00 0.00 61.98 62.48 3dho s VAL 126 Cb 0.00 -3.33 -0.02 0.00 0.00 0.00 0.00 36.38 33.03 3dho s VAL 126 CO 0.00 0.09 0.00 -0.69 0.00 0.00 0.00 175.10 174.50 3dho s VAL 127 N -1.25 3.96 -0.36 2.92 1.01 -0.30 -1.37 120.40 125.01 3dho s VAL 127 Ca 0.56 -0.31 -0.13 0.00 0.00 0.00 0.00 61.98 62.10 3dho s VAL 127 Cb -0.38 -2.79 0.00 0.00 0.00 0.00 0.00 36.38 33.21 3dho s VAL 127 CO 0.50 0.43 0.24 -0.63 0.00 0.00 0.00 175.10 175.63 3dho s ILE 128 N 1.01 5.06 0.75 2.22 -1.09 -0.12 -0.75 121.20 128.27 3dho s ILE 128 Ca 0.02 -0.50 -0.11 0.00 -2.23 0.00 0.00 60.65 57.83 3dho s ILE 128 Cb -0.14 -3.71 0.04 0.00 -1.58 0.00 0.00 42.46 37.07 3dho s ILE 128 CO 0.02 -0.13 1.12 -0.04 -1.23 0.00 0.00 174.94 174.67 3dho s MET 129 N 1.66 2.46 0.53 2.79 -1.94 -0.29 -0.31 119.30 124.21 3dho s MET 129 Ca 0.05 0.27 -0.22 0.00 -1.71 0.00 0.00 55.69 54.08 3dho s MET 129 Cb -0.18 -2.01 -0.06 0.00 2.01 0.00 0.00 34.83 34.60 3dho s MET 129 CO 0.09 -1.27 1.33 -2.30 -0.01 0.00 0.00 175.02 172.86 3dho n PRO 130 N -3.12 1.69 -1.07 2.03 -0.02 -0.96 -3.73 135.00 129.82 3dho n PRO 130 Ca 0.07 0.62 -0.02 0.00 -2.02 0.00 0.00 63.50 62.15 3dho n PRO 130 Cb 0.59 -2.53 -0.01 0.00 -0.02 0.00 0.00 33.50 31.53 3dho n PRO 130 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dho n GLY 131 N 0.79 0.57 3.83 -1.23 0.00 -1.24 -4.81 105.19 103.10 3dho n GLY 131 Ca 0.10 -0.56 -0.37 0.00 0.00 0.00 0.00 46.02 45.19 3dho n GLY 131 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dho s VAL 132 N -2.02 4.82 -0.11 1.61 1.01 -1.22 -4.71 120.40 119.78 3dho s VAL 132 Ca 0.00 1.00 0.03 0.00 0.00 0.00 0.00 61.98 63.00 3dho s VAL 132 Cb 0.00 -3.80 -0.01 0.00 0.00 0.00 0.00 36.38 32.57 3dho s VAL 132 CO 0.00 0.39 -0.20 -0.54 0.00 0.00 0.00 175.10 174.76 3dho s LYS 133 N -1.55 3.11 -0.16 2.72 -0.14 -1.26 -0.88 119.74 121.58 3dho s LYS 133 Ca 0.33 -0.80 0.01 0.00 -1.36 0.00 0.00 55.97 54.16 3dho s LYS 133 Cb -0.17 -2.42 0.01 0.00 -1.68 0.00 0.00 37.83 33.58 3dho s LYS 133 CO 0.19 0.23 -0.20 0.42 -0.76 0.00 0.00 175.35 175.22 3dho s ILE 134 N 0.25 2.12 0.69 2.17 1.01 0.89 -1.25 121.20 127.09 3dho s ILE 134 Ca -0.13 -0.94 -0.12 0.00 0.00 0.00 0.00 60.65 59.45 3dho s ILE 134 Cb -0.17 -1.87 0.01 0.00 0.01 0.00 0.00 42.46 40.45 3dho s ILE 134 CO 0.07 0.54 1.08 -0.83 0.00 0.00 0.00 174.94 175.80 3dho s GLY 135 N 1.10 1.85 0.25 6.18 0.00 0.57 -0.55 107.32 116.72 3dho s GLY 135 Ca 0.00 0.29 -0.29 0.00 0.00 0.00 0.00 44.72 44.72 3dho s GLY 135 CO -0.08 0.62 0.97 1.22 0.00 0.00 0.00 173.10 175.83 3dho n ASP 136 N -2.90 0.93 0.00 1.64 10.43 -1.26 -2.49 116.55 122.89 3dho n ASP 136 Ca 0.09 1.16 0.00 0.00 2.57 0.00 0.00 54.79 58.61 3dho n ASP 136 Cb 0.53 -1.22 0.00 0.00 1.84 0.00 0.00 41.12 42.27 3dho n ASP 136 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3dho n GLY 137 N 1.49 0.64 3.75 0.44 0.00 0.03 -0.56 105.19 110.98 3dho n GLY 137 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 3dho n GLY 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dho s ALA 138 N -2.79 2.19 -0.10 4.61 0.00 -1.04 -3.85 121.76 120.79 3dho s ALA 138 Ca 0.00 0.53 0.01 0.00 0.00 0.00 0.00 51.96 52.50 3dho s ALA 138 Cb 0.00 -3.35 0.02 0.00 0.00 0.00 0.00 23.12 19.78 3dho s ALA 138 CO 0.00 -1.76 -0.13 0.42 0.00 0.00 0.00 175.76 174.29 3dho s ILE 139 N -2.50 1.31 -0.23 0.00 1.01 0.03 -2.04 121.20 118.78 3dho s ILE 139 Ca 0.66 -0.53 -0.04 0.00 0.00 0.00 0.00 60.65 60.75 3dho s ILE 139 Cb -0.21 -1.22 -0.00 0.00 0.01 0.00 0.00 42.46 41.04 3dho s ILE 139 CO 0.49 0.40 -0.04 -0.69 0.00 0.00 0.00 174.94 175.10 3dho s VAL 140 N 1.05 3.30 0.53 2.92 1.01 0.00 -0.44 120.40 128.78 3dho s VAL 140 Ca -0.06 -0.58 -0.22 0.00 0.00 0.00 0.00 61.98 61.12 3dho s VAL 140 Cb -0.15 -2.53 -0.06 0.00 0.00 0.00 0.00 36.38 33.65 3dho s VAL 140 CO -0.02 0.38 1.31 0.00 0.00 0.00 0.00 175.10 176.78 3dho n ALA 141 N 4.78 1.43 -1.50 5.51 0.00 -0.19 -0.70 120.51 129.84 3dho n ALA 141 Ca -0.18 0.14 -0.44 0.00 0.00 0.00 0.00 53.44 52.97 3dho n ALA 141 Cb 0.50 -2.32 -0.01 0.00 0.00 0.00 0.00 19.45 17.62 3dho n ALA 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dho n ALA 142 N -0.94 -1.23 -1.05 0.00 0.00 -1.26 -2.30 120.51 113.72 3dho n ALA 142 Ca 0.10 0.29 -0.02 0.00 0.00 0.00 0.00 53.44 53.81 3dho n ALA 142 Cb 0.44 -1.84 -0.01 0.00 0.00 0.00 0.00 19.45 18.04 3dho n ALA 142 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3dho n ASN 143 N 1.35 -4.72 -4.77 0.00 3.02 0.33 -4.84 115.26 105.64 3dho n ASN 143 Ca 0.12 0.05 -0.33 0.00 -0.03 0.00 0.00 54.58 54.39 3dho n ASN 143 Cb 0.34 -2.38 0.06 0.00 -0.61 0.00 0.00 39.78 37.19 3dho n ASN 143 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3dho s SER 144 N -2.13 4.93 -0.27 6.41 0.01 -0.97 -4.77 113.70 116.91 3dho s SER 144 Ca 0.00 2.00 0.02 0.00 1.31 0.00 0.00 55.95 59.29 3dho s SER 144 Cb 0.00 -2.55 0.07 0.00 0.21 0.00 0.00 66.02 63.75 3dho s SER 144 CO 0.00 -1.75 -0.05 -0.69 0.41 0.00 0.00 173.24 171.16 3dho s VAL 145 N -2.39 1.89 -0.39 3.43 1.01 -0.13 -1.14 120.40 122.67 3dho s VAL 145 Ca 0.67 -1.59 -0.21 0.00 0.00 0.00 0.00 61.98 60.85 3dho s VAL 145 Cb -0.21 -2.14 0.01 0.00 0.00 0.00 0.00 36.38 34.05 3dho s VAL 145 CO 0.44 -0.18 0.65 -0.69 0.00 0.00 0.00 175.10 175.31 3dho s VAL 146 N 1.20 4.85 -0.20 2.92 1.01 0.07 -0.89 120.40 129.36 3dho s VAL 146 Ca -0.04 0.43 0.06 0.00 0.00 0.00 0.00 61.98 62.44 3dho s VAL 146 Cb -0.19 -4.13 -0.08 0.00 0.00 0.00 0.00 36.38 31.97 3dho s VAL 146 CO -0.07 -0.43 0.23 1.33 0.00 0.00 0.00 175.10 176.16 3dho n VAL 147 N 5.71 0.00 -4.25 2.92 0.24 -1.26 -1.14 118.33 120.55 3dho n VAL 147 Ca -0.01 -0.28 -0.15 0.00 -2.04 0.00 0.00 64.34 61.85 3dho n VAL 147 Cb 0.48 0.79 -0.10 0.00 -1.47 0.00 0.00 33.84 33.54 3dho n VAL 147 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 3dho s LYS 148 N -1.88 1.40 0.61 7.34 -2.85 -1.26 -4.87 119.74 118.23 3dho s LYS 148 Ca 0.01 -1.77 -0.18 0.00 -1.00 0.00 0.00 55.97 53.03 3dho s LYS 148 Cb 0.05 0.15 -0.02 0.00 -2.06 0.00 0.00 37.83 35.95 3dho s LYS 148 CO 0.26 -0.44 1.18 -0.51 0.10 0.00 0.00 175.35 175.94 3dho s ASP 149 N -3.26 5.12 -0.12 0.03 1.01 -1.26 -4.72 116.67 113.48 3dho s ASP 149 Ca 0.39 2.30 0.03 0.00 0.71 0.00 0.00 52.55 55.98 3dho s ASP 149 Cb 0.06 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 41.40 3dho s ASP 149 CO 0.16 -1.63 -0.23 -0.63 0.21 0.00 0.00 175.17 173.05 3dho s ILE 150 N -1.77 2.05 0.76 0.77 1.01 -0.38 -4.95 121.20 118.70 3dho s ILE 150 Ca 0.75 -1.00 -0.11 0.00 0.00 0.00 0.00 60.65 60.30 3dho s ILE 150 Cb -0.28 -1.79 0.05 0.00 0.01 0.00 0.00 42.46 40.45 3dho s ILE 150 CO 0.35 0.55 1.09 0.00 0.00 0.00 0.00 174.94 176.93 3dho s ALA 151 N 0.54 2.30 0.46 9.38 0.00 -1.26 -0.31 121.76 132.86 3dho s ALA 151 Ca -0.14 0.23 -0.24 0.00 0.00 0.00 0.00 51.96 51.80 3dho s ALA 151 Cb -0.17 -3.26 -0.09 0.00 0.00 0.00 0.00 23.12 19.61 3dho s ALA 151 CO 0.04 -1.70 1.26 -2.30 0.00 0.00 0.00 175.76 173.06 3dho n PRO 152 N -3.47 1.81 -2.24 0.00 -0.02 -1.26 -3.07 135.00 126.74 3dho n PRO 152 Ca 0.09 0.65 -0.17 0.00 -2.02 0.00 0.00 63.50 62.05 3dho n PRO 152 Cb 0.53 -2.39 -0.02 0.00 -0.02 0.00 0.00 33.50 31.60 3dho n PRO 152 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3dho n TYR 153 N -0.46 -1.02 -3.50 6.00 4.02 0.28 -4.86 117.16 117.62 3dho n TYR 153 Ca 0.08 0.00 -0.38 0.00 -0.01 0.00 0.00 57.90 57.59 3dho n TYR 153 Cb 0.41 -3.30 -0.06 0.00 -0.02 0.00 0.00 39.34 36.37 3dho n TYR 153 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 176.86 174.21 3dho s MET 154 N -4.73 3.90 0.02 -0.72 -1.94 -1.17 -0.48 119.30 114.18 3dho s MET 154 Ca 0.00 0.39 -0.27 0.00 -1.71 0.00 0.00 55.69 54.10 3dho s MET 154 Cb 0.00 -3.19 -0.05 0.00 2.01 0.00 0.00 34.83 33.61 3dho s MET 154 CO 0.00 0.67 0.85 -0.51 -0.01 0.00 0.00 175.02 176.02 3dho s LEU 155 N -1.20 4.41 0.04 -0.03 1.43 -0.42 -0.79 118.68 122.12 3dho s LEU 155 Ca 0.25 1.52 0.00 0.00 -1.03 0.00 0.00 54.13 54.87 3dho s LEU 155 Cb -0.16 -3.36 -0.03 0.00 0.03 0.00 0.00 46.19 42.67 3dho s LEU 155 CO 0.14 -0.10 -0.04 0.00 0.23 0.00 0.00 176.35 176.58 3dho s ALA 156 N 0.41 0.41 -0.05 4.21 0.00 0.42 0.07 121.76 127.22 3dho s ALA 156 Ca 0.44 -0.91 -0.30 0.00 0.00 0.00 0.00 51.96 51.19 3dho s ALA 156 Cb -0.21 0.18 0.11 0.00 0.00 0.00 0.00 23.12 23.20 3dho s ALA 156 CO 0.25 -0.22 0.99 0.20 0.00 0.00 0.00 175.76 176.97 3dho s GLY 157 N -2.14 -0.41 0.00 0.00 0.00 -0.31 -1.02 107.32 103.44 3dho s GLY 157 Ca -0.04 1.11 0.00 0.00 0.00 0.00 0.00 44.72 45.79 3dho s GLY 157 CO -0.04 0.36 0.00 0.61 0.00 0.00 0.00 173.10 174.03 3dho n GLY 158 N -0.22 -2.02 2.56 0.20 0.00 -1.26 -0.74 105.19 103.70 3dho n GLY 158 Ca -0.06 -2.20 -0.29 0.00 0.00 0.00 0.00 46.02 43.46 3dho n GLY 158 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3dho s ASN 159 N -0.49 3.57 0.43 1.61 2.47 -1.26 -0.95 114.94 120.31 3dho s ASN 159 Ca 0.00 -1.36 -0.24 0.00 0.42 0.00 0.00 52.86 51.68 3dho s ASN 159 Cb 0.00 -0.40 -0.08 0.00 -1.45 0.00 0.00 41.25 39.32 3dho s ASN 159 CO 0.00 -0.43 1.17 -2.16 -3.72 0.00 0.00 177.10 171.96 3dho s PRO 160 N 2.01 3.91 0.39 0.43 0.04 -1.26 -4.99 135.00 135.53 3dho s PRO 160 Ca 0.09 1.81 -0.27 0.00 0.04 0.00 0.00 61.00 62.68 3dho s PRO 160 Cb -0.16 -2.54 -0.09 0.00 0.04 0.00 0.00 34.50 31.74 3dho s PRO 160 CO -0.34 -0.43 1.32 0.00 0.04 0.00 0.00 177.00 177.58 3dho s ALA 161 N -1.48 3.34 0.11 8.56 0.00 -0.07 -4.93 121.76 127.29 3dho s ALA 161 Ca 0.60 1.27 0.06 0.00 0.00 0.00 0.00 51.96 53.89 3dho s ALA 161 Cb -0.30 -3.50 -0.03 0.00 0.00 0.00 0.00 23.12 19.29 3dho s ALA 161 CO 0.37 -0.80 -0.15 -0.80 0.00 0.00 0.00 175.76 174.37 3dho s ASN 162 N -0.63 2.02 0.18 0.00 0.01 0.08 -4.78 114.94 111.82 3dho s ASN 162 Ca 0.55 -0.73 -0.32 0.00 -0.71 0.00 0.00 52.86 51.65 3dho s ASN 162 Cb -0.39 -0.08 -0.11 0.00 0.41 0.00 0.00 41.25 41.08 3dho s ASN 162 CO 0.51 -0.09 1.65 -1.61 -1.51 0.00 0.00 177.10 176.05 3dho s GLU 163 N -2.27 4.17 -0.21 -0.60 2.02 -1.26 -1.16 118.70 119.39 3dho s GLU 163 Ca 0.05 2.48 -0.16 0.00 0.02 0.00 0.00 54.97 57.37 3dho s GLU 163 Cb -0.07 -3.13 -0.11 0.00 0.10 0.00 0.00 34.13 30.91 3dho s GLU 163 CO 0.03 -0.68 -0.17 -0.89 0.02 0.00 0.00 175.26 173.57 3dho n ILE 164 N 4.01 1.50 -3.54 -1.63 5.41 0.11 -4.93 119.36 120.29 3dho n ILE 164 Ca 0.15 -0.07 -0.08 0.00 1.00 0.00 0.00 62.75 63.75 3dho n ILE 164 Cb 0.37 -2.12 -0.02 0.00 -0.71 0.00 0.00 39.64 37.16 3dho n ILE 164 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 176.55 174.96 3dho s LYS 165 N -2.51 0.92 0.40 0.38 -2.85 -1.19 -5.02 119.74 109.86 3dho s LYS 165 Ca -0.30 -0.37 -0.25 0.00 -1.00 0.00 0.00 55.97 54.05 3dho s LYS 165 Cb 0.08 0.40 -0.08 0.00 -2.06 0.00 0.00 37.83 36.16 3dho s LYS 165 CO 0.46 -0.40 1.14 -0.65 0.10 0.00 0.00 175.35 175.99 3dho s GLN 166 N -3.19 4.09 0.22 1.78 -0.21 -1.26 -1.30 119.66 119.78 3dho s GLN 166 Ca 0.06 1.76 -0.02 0.00 0.02 0.00 0.00 55.36 57.18 3dho s GLN 166 Cb -0.01 -2.65 0.21 0.00 1.00 0.00 0.00 33.01 31.55 3dho s GLN 166 CO -0.07 -0.27 1.60 0.00 -2.12 0.00 0.00 175.29 174.42 3dho h ARG 167 N 2.63 0.61 -4.89 2.91 3.08 -1.12 -3.45 114.38 114.15 3dho h ARG 167 Ca -0.49 -0.30 -0.35 0.00 0.07 0.00 0.00 59.98 58.92 3dho h ARG 167 Cb 1.23 -0.00 -0.14 0.00 0.08 0.00 0.00 29.97 31.13 3dho h ARG 167 CO 0.62 0.89 -0.61 -0.06 -1.07 0.00 0.00 179.97 179.74 3dho s PHE 168 N -4.32 1.54 0.82 3.04 0.08 -1.26 -5.10 117.98 112.78 3dho s PHE 168 Ca -0.08 -1.18 -0.12 0.00 0.12 0.00 0.00 56.93 55.67 3dho s PHE 168 Cb 0.12 -0.90 0.09 0.00 -0.57 0.00 0.00 43.02 41.77 3dho s PHE 168 CO 0.83 -0.33 1.15 0.16 -0.10 0.00 0.00 175.22 176.93 3dho s ASP 169 N -3.31 3.69 0.32 1.36 1.47 -1.26 -4.78 116.67 114.15 3dho s ASP 169 Ca 0.38 2.17 -0.00 0.00 1.18 0.00 0.00 52.55 56.27 3dho s ASP 169 Cb 0.08 -2.57 0.51 0.00 -0.34 0.00 0.00 42.92 40.60 3dho s ASP 169 CO 0.14 -2.59 1.95 -0.61 0.68 0.00 0.00 175.17 174.74 3dho h GLN 170 N -1.18 0.93 -0.54 2.11 5.75 -2.00 -1.61 115.11 118.57 3dho h GLN 170 Ca -0.45 -0.08 -0.00 0.00 -0.15 0.00 0.00 58.65 57.97 3dho h GLN 170 Cb 1.27 -0.20 -0.03 0.00 1.07 0.00 0.00 27.48 29.60 3dho h GLN 170 CO 0.46 0.66 0.33 0.22 -2.65 0.00 0.00 178.83 177.86 3dho h ASP 171 N 0.95 0.64 -0.26 -0.69 3.58 -1.99 0.13 116.42 118.77 3dho h ASP 171 Ca 0.25 -0.05 -0.00 0.00 0.42 0.00 0.00 57.03 57.65 3dho h ASP 171 Cb -0.03 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 40.85 3dho h ASP 171 CO -0.05 0.50 0.15 0.74 -2.88 0.00 0.00 179.24 177.70 3dho h THR 172 N 0.72 1.12 -0.13 2.25 2.02 -1.78 -1.22 112.91 115.89 3dho h THR 172 Ca 0.19 -0.31 0.02 0.00 0.77 0.00 0.00 66.41 67.09 3dho h THR 172 Cb -0.03 0.85 -0.02 0.00 -1.74 0.00 0.00 68.15 67.20 3dho h THR 172 CO -0.04 0.12 -0.01 0.40 0.37 0.00 0.00 175.52 176.36 3dho h ILE 173 N 0.31 0.90 -0.58 3.11 2.04 -0.95 -0.08 117.51 122.27 3dho h ILE 173 Ca 0.09 -0.01 0.09 0.00 1.00 0.00 0.00 64.86 66.03 3dho h ILE 173 Cb 0.06 0.87 -0.07 0.00 -0.74 0.00 0.00 36.82 36.94 3dho h ILE 173 CO -0.02 0.01 0.22 0.78 0.00 0.00 0.00 178.15 179.14 3dho h ASN 174 N 0.03 0.22 -0.43 1.72 2.35 -0.52 -0.30 115.58 118.66 3dho h ASN 174 Ca 0.06 0.07 -0.08 0.00 -0.55 0.00 0.00 56.30 55.81 3dho h ASN 174 Cb 0.07 0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.48 3dho h ASN 174 CO -0.11 0.14 -0.03 1.56 -1.65 0.00 0.00 177.43 177.34 3dho h GLN 175 N 0.40 0.78 -0.60 0.81 4.20 -0.80 -1.55 115.11 118.35 3dho h GLN 175 Ca 0.29 -0.26 0.01 0.00 0.06 0.00 0.00 58.65 58.74 3dho h GLN 175 Cb 0.34 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.03 3dho h GLN 175 CO -0.29 0.86 0.39 -0.07 -0.67 0.00 0.00 178.83 179.06 3dho h LEU 176 N 0.61 0.68 -1.38 1.46 3.38 -0.62 -0.88 115.31 118.55 3dho h LEU 176 Ca 0.12 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 3dho h LEU 176 Cb 0.53 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 3dho h LEU 176 CO 0.03 0.49 -0.27 -0.07 0.09 0.00 0.00 178.44 178.71 3dho h LEU 177 N 0.80 0.06 -0.03 1.67 3.38 -0.90 -2.24 115.31 118.05 3dho h LEU 177 Ca 0.22 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.14 3dho h LEU 177 Cb -0.09 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.65 3dho h LEU 177 CO -0.05 0.33 -0.10 -0.78 0.09 0.00 0.00 178.44 177.93 3dho h ASP 178 N 0.06 0.14 0.69 -0.43 3.58 -0.85 -3.36 116.42 116.25 3dho h ASP 178 Ca 0.01 -0.63 -0.16 0.00 0.42 0.00 0.00 57.03 56.67 3dho h ASP 178 Cb 0.51 -0.04 -0.02 0.00 1.72 0.00 0.00 39.33 41.50 3dho h ASP 178 CO 0.04 0.74 -0.76 0.16 -2.88 0.00 0.00 179.24 176.54 3dho h ILE 179 N -0.45 1.52 -6.35 2.25 3.07 -1.06 -3.48 117.51 113.01 3dho h ILE 179 Ca -0.00 -2.53 -0.41 0.00 1.55 0.00 0.00 64.86 63.47 3dho h ILE 179 Cb 0.73 2.37 0.04 0.00 -0.27 0.00 0.00 36.82 39.69 3dho h ILE 179 CO 0.02 0.73 -0.85 0.29 -1.05 0.00 0.00 178.15 177.29 3dho n LYS 180 N -3.67 -1.17 0.02 0.16 5.02 -0.85 -4.83 118.16 112.84 3dho n LYS 180 Ca -0.01 0.64 0.18 0.00 -2.02 0.00 0.00 58.31 57.09 3dho n LYS 180 Cb 0.73 -3.63 0.66 0.00 -0.02 0.00 0.00 35.03 32.78 3dho n LYS 180 CO 0.00 0.00 0.00 0.11 -0.52 0.00 0.00 177.40 176.99 3dho h TRP 181 N -1.22 0.06 0.00 2.13 5.08 -1.93 -1.06 115.95 119.00 3dho h TRP 181 Ca -0.57 0.00 -0.00 0.00 1.08 0.00 0.00 58.89 59.40 3dho h TRP 181 Cb 1.32 -0.02 -0.00 0.00 -3.00 0.00 0.00 29.16 27.47 3dho h TRP 181 CO 0.29 0.02 -0.01 0.11 -1.28 0.00 0.00 178.44 177.58 3dho h TRP 182 N 0.05 0.00 -0.02 0.12 0.09 -1.97 -1.41 115.95 112.82 3dho h TRP 182 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.21 3dho h TRP 182 Cb 0.83 0.00 0.00 0.00 0.08 0.00 0.00 29.16 30.07 3dho h TRP 182 CO -0.00 0.01 -0.08 0.09 0.09 0.00 0.00 178.44 178.55 3dho n ASN 183 N -3.14 2.29 -4.75 0.11 3.02 -0.40 -4.98 115.26 107.41 3dho n ASN 183 Ca -0.02 -1.71 -0.34 0.00 -0.03 0.00 0.00 54.58 52.48 3dho n ASN 183 Cb 0.15 0.07 0.06 0.00 -0.61 0.00 0.00 39.78 39.45 3dho n ASN 183 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 3dho s TRP 184 N -2.09 2.40 0.28 3.10 0.51 -0.53 -4.97 118.94 117.64 3dho s TRP 184 Ca 0.30 1.57 -0.30 0.00 -2.12 0.00 0.00 56.10 55.55 3dho s TRP 184 Cb 0.20 -3.29 -0.13 0.00 -0.81 0.00 0.00 33.47 29.43 3dho s TRP 184 CO 0.36 -2.04 1.26 -2.30 -0.51 0.00 0.00 176.95 173.72 3dho n PRO 185 N -2.46 1.84 -0.11 4.98 -0.02 -1.26 -4.72 135.00 133.25 3dho n PRO 185 Ca 0.12 0.65 0.17 0.00 -2.02 0.00 0.00 63.50 62.42 3dho n PRO 185 Cb 0.51 -2.20 0.58 0.00 -0.02 0.00 0.00 33.50 32.37 3dho n PRO 185 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 3dho h ILE 186 N 2.61 0.77 -0.25 4.25 6.09 -1.96 0.58 117.51 129.60 3dho h ILE 186 Ca -0.44 -0.09 -0.10 0.00 -1.37 0.00 0.00 64.86 62.87 3dho h ILE 186 Cb 1.30 0.49 -0.01 0.00 0.47 0.00 0.00 36.82 39.06 3dho h ILE 186 CO 0.67 0.05 -0.25 -2.24 -3.07 0.00 0.00 178.15 173.31 3dho h ASP 187 N 0.26 0.48 -0.27 2.19 2.03 -1.96 -0.94 116.42 118.20 3dho h ASP 187 Ca 0.33 -0.16 -0.10 0.00 -0.73 0.00 0.00 57.03 56.37 3dho h ASP 187 Cb 0.93 -0.13 -0.01 0.00 -0.83 0.00 0.00 39.33 39.30 3dho h ASP 187 CO -0.07 0.73 -0.22 0.40 -1.03 0.00 0.00 179.24 179.04 3dho h ILE 188 N 0.42 1.31 -0.33 4.15 1.08 -1.29 -2.54 117.51 120.32 3dho h ILE 188 Ca 0.06 -1.37 0.07 0.00 -0.39 0.00 0.00 64.86 63.23 3dho h ILE 188 Cb 0.67 1.59 -0.07 0.00 -3.07 0.00 0.00 36.82 35.94 3dho h ILE 188 CO 0.05 0.43 -0.11 0.40 -0.69 0.00 0.00 178.15 178.23 3dho h ILE 189 N 0.36 0.62 -0.98 -0.67 2.04 -1.05 -2.61 117.51 115.22 3dho h ILE 189 Ca 0.05 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.98 3dho h ILE 189 Cb 0.77 0.62 -0.07 0.00 -0.74 0.00 0.00 36.82 37.40 3dho h ILE 189 CO 0.06 0.00 0.63 0.78 0.00 0.00 0.00 178.15 179.61 3dho h ASN 190 N -0.04 0.99 0.47 1.72 2.35 -1.07 0.74 115.58 120.75 3dho h ASN 190 Ca 0.16 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.93 3dho h ASN 190 Cb 0.28 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.46 3dho h ASN 190 CO -0.36 0.62 0.00 -0.33 -1.65 0.00 0.00 177.43 175.71 3dho h GLU 191 N 1.12 0.00 0.00 0.81 5.08 -1.08 -3.27 114.58 117.23 3dho h GLU 191 Ca 0.43 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.79 3dho h GLU 191 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 3dho h GLU 191 CO -0.19 0.00 -0.04 0.09 -1.00 0.00 0.00 179.01 177.87 3dho n ASN 192 N -2.84 1.52 -0.31 1.42 3.02 0.16 -4.82 115.26 113.41 3dho n ASN 192 Ca -0.01 -2.04 0.04 0.00 -0.03 0.00 0.00 54.58 52.54 3dho n ASN 192 Cb 0.17 -0.11 0.19 0.00 -0.61 0.00 0.00 39.78 39.42 3dho n ASN 192 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 3dho h ILE 193 N 1.17 0.92 -0.95 2.41 2.04 -1.37 -0.68 117.51 121.06 3dho h ILE 193 Ca 0.00 -0.29 0.03 0.00 1.00 0.00 0.00 64.86 65.60 3dho h ILE 193 Cb 0.78 -0.01 -0.05 0.00 -0.74 0.00 0.00 36.82 36.79 3dho h ILE 193 CO 0.00 0.16 0.62 -2.24 0.00 0.00 0.00 178.15 176.69 3dho h ASP 194 N 0.85 1.04 0.85 1.72 2.03 -1.89 0.14 116.42 121.17 3dho h ASP 194 Ca 0.43 -0.01 -0.21 0.00 -0.73 0.00 0.00 57.03 56.51 3dho h ASP 194 Cb 0.39 -0.24 -0.02 0.00 -0.83 0.00 0.00 39.33 38.63 3dho h ASP 194 CO -0.25 0.72 -0.97 0.11 -1.03 0.00 0.00 179.24 177.82 3dho h LYS 195 N 1.21 0.06 -0.58 4.15 1.57 -1.65 -2.51 116.57 118.81 3dho h LYS 195 Ca 0.37 -0.09 -0.09 0.00 -1.87 0.00 0.00 60.65 58.98 3dho h LYS 195 Cb -0.01 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 3dho h LYS 195 CO -0.11 0.97 0.01 0.82 -0.57 0.00 0.00 179.45 180.57 3dho h ILE 196 N 0.02 1.26 0.00 1.86 2.04 -0.57 -0.85 117.51 121.28 3dho h ILE 196 Ca -0.03 -1.12 -0.07 0.00 1.00 0.00 0.00 64.86 64.64 3dho h ILE 196 Cb 1.68 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 38.55 3dho h ILE 196 CO 0.13 0.40 -0.34 -0.07 0.00 0.00 0.00 178.15 178.28 3dho h LEU 197 N 0.92 0.00 -2.61 1.44 3.38 -0.62 -3.23 115.31 114.60 3dho h LEU 197 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3dho h LEU 197 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 3dho h LEU 197 CO 0.03 0.34 0.00 -0.90 0.09 0.00 0.00 178.44 178.00 3dho n ASP 198 N -3.58 2.53 0.00 -0.43 5.68 -0.96 -4.99 116.55 114.80 3dho n ASP 198 Ca -0.01 -1.88 0.00 0.00 -0.50 0.00 0.00 54.79 52.41 3dho n ASP 198 Cb 0.47 -0.15 0.00 0.00 -1.14 0.00 0.00 41.12 40.30 3dho n ASP 198 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 3dho n ASN 199 N 0.33 0.00 0.00 -1.12 4.13 -0.40 -4.86 115.26 113.34 3dho n ASN 199 Ca 0.08 0.00 0.11 0.00 1.68 0.00 0.00 54.58 56.45 3dho n ASN 199 Cb 0.35 -1.01 0.61 0.00 -1.54 0.00 0.00 39.78 38.19 3dho n ASN 199 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 3dho n SER 200 N 0.00 0.00 0.26 6.41 3.41 -0.75 -2.79 113.62 120.15 3dho n SER 200 Ca 0.00 -0.52 0.09 0.00 -0.26 0.00 0.00 58.87 58.18 3dho n SER 200 Cb 0.00 -0.06 0.68 0.00 -0.26 0.00 0.00 64.21 64.56 3dho n SER 200 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 3dho h ILE 201 N 0.00 0.93 -0.00 -1.33 6.09 -1.81 -1.65 117.51 119.74 3dho h ILE 201 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 3dho h ILE 201 Cb 0.04 0.99 0.00 0.00 0.47 0.00 0.00 36.82 38.32 3dho h ILE 201 CO 0.00 0.00 -0.13 2.30 -3.07 0.00 0.00 178.15 177.25 3dho n ILE 202 N -4.44 0.00 1.86 2.19 -5.35 -1.12 -5.07 119.36 107.42 3dho n ILE 202 Ca -0.03 -0.04 0.15 0.00 -0.27 0.00 0.00 62.75 62.56 3dho n ILE 202 Cb 0.10 -0.14 0.88 0.00 -1.74 0.00 0.00 39.64 38.75 3dho n ILE 202 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33