#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 -1.38 3.81 -5.12 0.00 -1.26 -4.95 105.19 96.28 3dho n GLY 2 Ca 0.00 -1.56 -0.30 0.00 0.00 0.00 0.00 46.02 44.17 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 -1.34 1.95 -0.07 1.61 0.04 -1.26 -5.00 135.00 130.93 3dho s PRO 3 Ca 0.00 0.56 -0.30 0.00 0.04 0.00 0.00 61.00 61.30 3dho s PRO 3 Cb 0.00 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.59 3dho s PRO 3 CO 0.00 -1.70 1.32 1.21 0.04 0.00 0.00 177.00 177.87 3dho s ASN 4 N -3.96 6.93 0.05 6.66 3.84 -1.26 -4.90 114.94 122.30 3dho s ASN 4 Ca 0.61 1.90 0.12 0.00 0.21 0.00 0.00 52.86 55.70 3dho s ASN 4 Cb -0.14 -2.55 0.52 0.00 -0.55 0.00 0.00 41.25 38.52 3dho s ASN 4 CO 0.54 -0.70 1.37 -0.81 -2.79 0.00 0.00 177.10 174.71 3dho n PRO 5 N 5.81 0.03 0.00 0.43 -0.04 -1.26 -1.43 135.00 138.53 3dho n PRO 5 Ca 0.13 0.37 0.14 0.00 -0.04 0.00 0.00 63.50 64.09 3dho n PRO 5 Cb 0.45 -1.57 0.53 0.00 -0.04 0.00 0.00 33.50 32.86 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 -1.64 0.63 -2.79 0.54 2.81 -1.26 -4.54 117.12 110.88 3dho n MET 6 Ca 0.02 -0.27 -0.42 0.00 -1.81 0.00 0.00 57.70 55.22 3dho n MET 6 Cb 0.12 -1.49 -0.03 0.00 -0.71 0.00 0.00 33.22 31.10 3dho n MET 6 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 3dho s LYS 7 N -2.55 4.16 0.17 0.03 2.20 -0.52 -4.75 119.74 118.47 3dho s LYS 7 Ca 0.25 1.04 -0.15 0.00 -0.36 0.00 0.00 55.97 56.76 3dho s LYS 7 Cb 0.20 -3.67 0.11 0.00 -1.51 0.00 0.00 37.83 32.96 3dho s LYS 7 CO 0.51 -0.64 1.73 1.98 -0.36 0.00 0.00 175.35 178.57 3dho h MET 8 N 7.74 0.24 -3.30 4.03 1.85 -1.87 -3.34 114.93 120.27 3dho h MET 8 Ca -0.22 -0.01 -0.65 0.00 -0.61 0.00 0.00 59.70 58.21 3dho h MET 8 Cb 1.08 -0.05 -0.40 0.00 0.43 0.00 0.00 31.60 32.66 3dho h MET 8 CO 0.93 0.16 -0.50 0.71 -0.40 0.00 0.00 176.91 177.81 3dho s TYR 9 N -6.15 3.44 -0.59 1.39 1.51 -1.26 -0.86 117.35 114.83 3dho s TYR 9 Ca -0.13 -3.14 0.25 0.00 -1.01 0.00 0.00 57.07 53.04 3dho s TYR 9 Cb 0.13 -2.90 0.88 0.00 -0.11 0.00 0.00 41.96 39.97 3dho s TYR 9 CO 0.72 -0.69 1.75 -1.00 -1.11 0.00 0.00 175.55 175.22 3dho h PRO 10 N 6.14 0.00 -4.74 -1.71 0.13 -1.75 -3.42 132.00 126.65 3dho h PRO 10 Ca 0.04 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.50 3dho h PRO 10 Cb 0.84 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 31.79 3dho h PRO 10 CO 0.72 0.00 -0.49 0.42 -0.23 0.00 0.00 178.00 178.43 3dho s ILE 11 N -3.21 5.28 0.20 -3.56 1.01 -1.26 -4.94 121.20 114.72 3dho s ILE 11 Ca 0.08 -0.16 -0.33 0.00 0.00 0.00 0.00 60.65 60.24 3dho s ILE 11 Cb 0.11 -3.68 -0.13 0.00 0.01 0.00 0.00 42.46 38.76 3dho s ILE 11 CO 0.52 0.03 1.58 -0.62 0.00 0.00 0.00 174.94 176.44 3dho n GLU 12 N 5.10 2.31 0.00 2.79 -0.58 -1.26 -1.51 120.64 127.49 3dho n GLU 12 Ca -0.13 0.83 0.00 0.00 -0.42 0.00 0.00 57.16 57.44 3dho n GLU 12 Cb 0.50 -2.60 0.00 0.00 -0.57 0.00 0.00 31.44 28.77 3dho n GLU 12 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3dho n GLY 13 N 3.16 2.41 3.38 0.62 0.00 -1.26 -5.00 105.19 108.50 3dho n GLY 13 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.64 5.21 -0.31 1.61 3.84 -0.57 -4.96 114.94 117.12 3dho s ASN 14 Ca 0.00 -0.58 0.08 0.00 0.21 0.00 0.00 52.86 52.57 3dho s ASN 14 Cb 0.00 -1.91 0.53 0.00 -0.55 0.00 0.00 41.25 39.32 3dho s ASN 14 CO 0.00 -0.17 1.52 0.29 -2.79 0.00 0.00 177.10 175.95 3dho n LYS 15 N 4.90 1.92 -0.04 0.43 4.76 -1.26 -4.56 118.16 124.32 3dho n LYS 15 Ca -0.15 -3.16 -0.09 0.00 -2.87 0.00 0.00 58.31 52.04 3dho n LYS 15 Cb 0.49 -1.86 -0.03 0.00 -1.84 0.00 0.00 35.03 31.79 3dho n LYS 15 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 3dho n SER 16 N -1.11 0.84 -4.68 4.39 7.64 -1.26 -4.71 113.62 114.74 3dho n SER 16 Ca 0.36 0.14 -0.42 0.00 1.01 0.00 0.00 58.87 59.95 3dho n SER 16 Cb 1.11 -0.32 -0.03 0.00 -1.01 0.00 0.00 64.21 63.95 3dho n SER 16 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3dho s VAL 17 N -2.21 3.05 -0.04 0.44 1.01 -1.26 -2.88 120.40 118.52 3dho s VAL 17 Ca -0.12 0.38 0.02 0.00 0.00 0.00 0.00 61.98 62.26 3dho s VAL 17 Cb 0.04 -3.25 0.01 0.00 0.00 0.00 0.00 36.38 33.19 3dho s VAL 17 CO 0.16 -0.01 -0.09 -1.10 0.00 0.00 0.00 175.10 174.06 3dho s GLN 18 N 3.20 1.12 -0.05 2.72 -0.21 -0.58 -4.29 119.66 121.57 3dho s GLN 18 Ca 0.77 -0.27 -0.30 0.00 0.02 0.00 0.00 55.36 55.58 3dho s GLN 18 Cb -0.40 -1.01 -0.03 0.00 1.00 0.00 0.00 33.01 32.56 3dho s GLN 18 CO 0.34 0.03 1.18 -0.06 -2.12 0.00 0.00 175.29 174.67 3dho s PHE 19 N 0.52 3.24 0.23 0.91 2.99 -0.04 -0.59 117.98 125.23 3dho s PHE 19 Ca -0.09 1.25 0.05 0.00 0.00 0.00 0.00 56.93 58.15 3dho s PHE 19 Cb -0.12 -3.40 0.21 0.00 0.00 0.00 0.00 43.02 39.70 3dho s PHE 19 CO 0.01 -1.22 1.53 -0.84 -0.00 0.00 0.00 175.22 174.70 3dho h ILE 20 N 4.97 1.43 0.64 0.64 3.07 -1.55 -2.89 117.51 123.82 3dho h ILE 20 Ca -0.35 -2.17 -0.02 0.00 1.55 0.00 0.00 64.86 63.87 3dho h ILE 20 Cb 1.17 2.14 -0.01 0.00 -0.27 0.00 0.00 36.82 39.85 3dho h ILE 20 CO 0.87 0.63 -0.43 0.50 -1.05 0.00 0.00 178.15 178.67 3dho h LYS 21 N 0.12 -0.99 -0.03 0.16 3.64 -1.80 0.16 116.57 117.85 3dho h LYS 21 Ca -0.01 0.07 -0.05 0.00 -1.27 0.00 0.00 60.65 59.38 3dho h LYS 21 Cb 1.20 0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 33.24 3dho h LYS 21 CO 0.10 -0.66 -0.22 -1.00 -2.27 0.00 0.00 179.45 175.40 3dho h PRO 22 N -1.02 0.04 -0.66 1.90 0.13 -1.80 -2.40 132.00 128.19 3dho h PRO 22 Ca -0.08 -0.01 -0.04 0.00 -0.87 0.00 0.00 66.00 65.00 3dho h PRO 22 Cb 0.84 -0.01 -0.03 0.00 0.13 0.00 0.00 31.00 31.93 3dho h PRO 22 CO 0.06 0.26 0.26 0.82 -0.23 0.00 0.00 178.00 179.17 3dho h ILE 23 N 0.04 1.23 -0.67 -3.56 1.08 -1.22 -3.20 117.51 111.22 3dho h ILE 23 Ca 0.01 -0.73 0.00 0.00 -0.39 0.00 0.00 64.86 63.74 3dho h ILE 23 Cb 0.41 0.45 0.00 0.00 -3.07 0.00 0.00 36.82 34.61 3dho h ILE 23 CO 0.03 0.29 0.00 0.18 -0.69 0.00 0.00 178.15 177.96 3dho n LEU 24 N -4.30 4.24 -0.13 1.44 4.77 0.53 -4.60 117.00 118.95 3dho n LEU 24 Ca 0.06 -2.21 0.08 0.00 -0.03 0.00 0.00 56.01 53.91 3dho n LEU 24 Cb 0.18 -0.51 0.41 0.00 -2.33 0.00 0.00 43.42 41.16 3dho n LEU 24 CO 0.40 0.89 1.20 -0.08 -1.33 0.00 0.00 177.39 178.47 3dho h GLU 25 N 4.01 0.61 0.00 3.23 4.81 -1.43 -1.60 114.58 124.20 3dho h GLU 25 Ca 0.00 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 3dho h GLU 25 Cb 1.18 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.42 3dho h GLU 25 CO 0.10 0.40 0.00 1.63 -0.73 0.00 0.00 179.01 180.42 3dho n LYS 26 N -4.48 0.18 -3.20 1.92 4.76 -1.26 -4.85 118.16 111.23 3dho n LYS 26 Ca 0.09 0.33 -0.39 0.00 -2.87 0.00 0.00 58.31 55.48 3dho n LYS 26 Cb 0.25 -1.80 -0.05 0.00 -1.84 0.00 0.00 35.03 31.58 3dho n LYS 26 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3dho s LEU 27 N -4.28 4.32 0.50 -0.35 1.43 -0.61 -5.06 118.68 114.63 3dho s LEU 27 Ca 0.07 1.01 -0.20 0.00 -1.03 0.00 0.00 54.13 53.97 3dho s LEU 27 Cb 0.11 -2.87 -0.08 0.00 0.03 0.00 0.00 46.19 43.38 3dho s LEU 27 CO 0.44 -0.02 1.06 -0.70 0.23 0.00 0.00 176.35 177.36 3dho s GLU 28 N 0.52 3.69 -1.93 1.70 2.12 -1.26 -3.79 118.70 119.75 3dho s GLU 28 Ca 0.31 1.40 0.00 0.00 0.36 0.00 0.00 54.97 57.04 3dho s GLU 28 Cb -0.17 -2.07 0.00 0.00 0.26 0.00 0.00 34.13 32.15 3dho s GLU 28 CO 0.14 -0.53 0.00 0.09 -0.54 0.00 0.00 175.26 174.42 3dho n ASN 29 N -1.08 -5.64 -4.02 -1.70 5.03 -1.26 -4.97 115.26 101.62 3dho n ASN 29 Ca 0.10 0.21 -0.29 0.00 0.87 0.00 0.00 54.58 55.48 3dho n ASN 29 Cb 0.52 -4.78 -0.17 0.00 -1.02 0.00 0.00 39.78 34.33 3dho n ASN 29 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3dho s VAL 30 N -2.90 1.45 -0.16 2.41 1.01 -1.25 -1.07 120.40 119.88 3dho s VAL 30 Ca 0.00 -0.59 0.01 0.00 0.00 0.00 0.00 61.98 61.41 3dho s VAL 30 Cb 0.00 -1.35 0.02 0.00 0.00 0.00 0.00 36.38 35.05 3dho s VAL 30 CO 0.00 0.43 -0.18 -0.70 0.00 0.00 0.00 175.10 174.65 3dho s GLU 31 N 1.23 2.75 -0.04 2.72 2.12 -0.07 -4.96 118.70 122.46 3dho s GLU 31 Ca -0.02 -0.74 0.03 0.00 0.36 0.00 0.00 54.97 54.60 3dho s GLU 31 Cb -0.14 -2.38 0.01 0.00 0.26 0.00 0.00 34.13 31.88 3dho s GLU 31 CO -0.05 -0.18 -0.10 0.08 -0.54 0.00 0.00 175.26 174.47 3dho s VAL 32 N 1.25 0.91 0.55 3.70 1.01 -1.26 -0.68 120.40 125.88 3dho s VAL 32 Ca 0.02 -0.41 -0.15 0.00 0.00 0.00 0.00 61.98 61.45 3dho s VAL 32 Cb -0.13 -0.82 -0.06 0.00 0.00 0.00 0.00 36.38 35.36 3dho s VAL 32 CO -0.10 0.29 1.00 -0.83 0.00 0.00 0.00 175.10 175.46 3dho s GLY 33 N 0.33 1.96 0.67 4.51 0.00 0.43 -4.74 107.32 110.47 3dho s GLY 33 Ca -0.06 0.12 -0.17 0.00 0.00 0.00 0.00 44.72 44.61 3dho s GLY 33 CO 0.01 0.40 1.25 -0.54 0.00 0.00 0.00 173.10 174.22 3dho s GLU 34 N -4.38 2.44 0.00 2.90 8.01 -1.26 -3.43 118.70 122.98 3dho s GLU 34 Ca 0.58 1.93 0.00 0.00 0.01 0.00 0.00 54.97 57.49 3dho s GLU 34 Cb -0.11 -1.85 0.00 0.00 -4.31 0.00 0.00 34.13 27.87 3dho s GLU 34 CO 0.38 -1.65 0.00 0.66 0.01 0.00 0.00 175.26 174.66 3dho n TYR 35 N -2.17 0.00 -1.71 1.61 4.02 -1.26 -2.07 117.16 115.58 3dho n TYR 35 Ca 0.15 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.61 3dho n TYR 35 Cb 0.49 -0.17 -0.02 0.00 -0.02 0.00 0.00 39.34 39.62 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 0.03 3.34 -4.23 7.72 7.64 -1.22 -4.52 113.62 122.39 3dho n SER 36 Ca 0.00 1.15 -0.15 0.00 1.01 0.00 0.00 58.87 60.88 3dho n SER 36 Cb 0.00 -1.52 -0.11 0.00 -1.01 0.00 0.00 64.21 61.58 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 -0.11 1.25 -0.14 1.43 -0.85 -0.41 -1.37 117.35 117.15 3dho s TYR 37 Ca 0.65 -0.67 -0.01 0.00 -0.52 0.00 0.00 57.07 56.53 3dho s TYR 37 Cb -0.56 -0.65 -0.01 0.00 0.38 0.00 0.00 41.96 41.11 3dho s TYR 37 CO 0.50 0.08 -0.12 -0.47 -1.52 0.00 0.00 175.55 174.02 3dho s TYR 38 N -2.74 2.83 -1.14 -3.49 5.04 0.24 -1.21 117.35 116.88 3dho s TYR 38 Ca 0.11 -0.71 -0.13 0.00 -2.44 0.00 0.00 57.07 53.90 3dho s TYR 38 Cb -0.01 -1.88 0.20 0.00 0.35 0.00 0.00 41.96 40.62 3dho s TYR 38 CO 0.01 -0.27 1.28 0.34 -1.34 0.00 0.00 175.55 175.57 3dho s ASP 39 N 0.52 7.09 0.36 4.32 2.15 -0.49 -1.53 116.67 129.09 3dho s ASP 39 Ca -0.08 -3.07 -0.28 0.00 0.43 0.00 0.00 52.55 49.55 3dho s ASP 39 Cb -0.16 -2.34 -0.12 0.00 -0.30 0.00 0.00 42.92 40.01 3dho s ASP 39 CO 0.04 -0.64 1.41 -0.24 -0.17 0.00 0.00 175.17 175.57 3dho n SER 40 N 4.81 3.35 0.06 -0.34 2.88 -1.14 -2.41 113.62 120.84 3dho n SER 40 Ca 0.31 1.22 -0.10 0.00 -1.33 0.00 0.00 58.87 58.97 3dho n SER 40 Cb 0.42 -1.56 -0.13 0.00 -0.75 0.00 0.00 64.21 62.20 3dho n SER 40 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 3dho h LYS 41 N 2.89 0.07 0.00 -1.46 2.10 -1.91 -3.41 116.57 114.85 3dho h LYS 41 Ca -0.49 -0.12 0.00 0.00 -2.00 0.00 0.00 60.65 58.04 3dho h LYS 41 Cb 1.26 0.05 0.00 0.00 -0.90 0.00 0.00 32.23 32.63 3dho h LYS 41 CO 0.64 1.02 -0.18 0.09 -2.00 0.00 0.00 179.45 179.03 3dho n ASN 42 N -3.37 0.00 0.00 7.07 3.02 -1.26 -4.99 115.26 115.73 3dho n ASN 42 Ca -0.04 -1.35 0.00 0.00 -0.03 0.00 0.00 54.58 53.16 3dho n ASN 42 Cb 0.97 -0.07 0.00 0.00 -0.61 0.00 0.00 39.78 40.07 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 0.00 1.12 3.66 7.41 0.00 -1.26 -5.05 105.19 111.07 3dho n GLY 43 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 3dho n GLY 43 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3dho n GLU 44 N -2.00 1.31 -3.59 1.61 0.00 -1.26 -4.94 120.64 111.77 3dho n GLU 44 Ca 0.00 0.49 -0.31 0.00 0.00 0.00 0.00 57.16 57.33 3dho n GLU 44 Cb 0.00 -2.30 -0.05 0.00 0.00 0.00 0.00 31.44 29.10 3dho n GLU 44 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.13 178.08 3dho s THR 45 N -1.37 5.10 0.43 3.84 -4.23 -1.26 -4.78 115.64 113.36 3dho s THR 45 Ca 0.71 0.12 0.27 0.00 -1.18 0.00 0.00 61.69 61.62 3dho s THR 45 Cb -0.45 -3.63 0.30 0.00 1.34 0.00 0.00 72.50 70.06 3dho s THR 45 CO 0.50 -0.02 2.09 0.15 -0.54 0.00 0.00 174.62 176.79 3dho h PHE 46 N 2.64 0.00 -0.51 3.99 3.57 -1.94 -1.93 116.94 122.76 3dho h PHE 46 Ca -0.46 0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.15 3dho h PHE 46 Cb 1.17 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.88 3dho h PHE 46 CO 0.61 0.11 0.35 0.38 -2.23 0.00 0.00 178.31 177.53 3dho h ASP 47 N 0.00 0.17 0.75 0.41 2.03 -1.95 -0.03 116.42 117.80 3dho h ASP 47 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3dho h ASP 47 Cb 0.30 -0.03 0.00 0.00 -0.83 0.00 0.00 39.33 38.77 3dho h ASP 47 CO 0.01 0.10 0.00 0.29 -1.03 0.00 0.00 179.24 178.62 3dho n LYS 48 N -4.44 0.09 0.00 4.15 4.76 -0.73 -2.78 118.16 119.21 3dho n LYS 48 Ca 0.08 0.27 0.12 0.00 -2.87 0.00 0.00 58.31 55.91 3dho n LYS 48 Cb 0.44 -1.66 0.20 0.00 -1.84 0.00 0.00 35.03 32.17 3dho n LYS 48 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 3dho n GLN 49 N -1.83 0.18 -3.40 1.97 1.13 -0.03 -4.78 117.38 110.63 3dho n GLN 49 Ca 0.04 -0.12 -0.41 0.00 -1.94 0.00 0.00 57.00 54.56 3dho n GLN 49 Cb 0.24 -1.50 -0.09 0.00 0.11 0.00 0.00 30.24 29.00 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 -2.90 5.17 0.00 5.09 1.01 -1.12 -1.21 121.20 127.25 3dho s ILE 50 Ca 0.13 -0.15 0.03 0.00 0.00 0.00 0.00 60.65 60.66 3dho s ILE 50 Cb 0.18 -3.87 -0.03 0.00 0.01 0.00 0.00 42.46 38.74 3dho s ILE 50 CO 0.69 -0.18 -0.05 -0.76 0.00 0.00 0.00 174.94 174.64 3dho s LEU 51 N 1.98 3.25 -1.45 2.97 1.43 -0.12 -4.68 118.68 122.06 3dho s LEU 51 Ca 0.10 -0.11 -0.11 0.00 -1.03 0.00 0.00 54.13 52.98 3dho s LEU 51 Cb -0.17 -1.86 0.05 0.00 0.03 0.00 0.00 46.19 44.24 3dho s LEU 51 CO 0.12 0.28 1.03 -1.22 0.23 0.00 0.00 176.35 176.79 3dho n TYR 52 N 1.52 -2.45 -3.47 0.29 4.02 -1.26 -1.02 117.16 114.79 3dho n TYR 52 Ca -0.15 0.94 -0.43 0.00 -0.01 0.00 0.00 57.90 58.25 3dho n TYR 52 Cb 0.53 -4.37 -0.08 0.00 -0.02 0.00 0.00 39.34 35.39 3dho n TYR 52 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 3dho s HIS 53 N -3.34 3.29 -0.17 -0.72 2.46 -1.26 -0.45 115.29 115.10 3dho s HIS 53 Ca 0.57 -1.25 -0.00 0.00 0.47 0.00 0.00 55.06 54.85 3dho s HIS 53 Cb -0.27 -3.19 0.00 0.00 -0.13 0.00 0.00 32.58 28.99 3dho s HIS 53 CO 0.80 -0.85 -0.14 0.71 -2.47 0.00 0.00 174.74 172.78 3dho s TYR 54 N 1.54 2.80 0.29 3.88 2.02 -1.26 -5.03 117.35 121.60 3dho s TYR 54 Ca 0.04 -1.11 0.04 0.00 -0.37 0.00 0.00 57.07 55.67 3dho s TYR 54 Cb -0.25 -1.92 0.75 0.00 -0.40 0.00 0.00 41.96 40.14 3dho s TYR 54 CO 0.04 -0.53 1.69 -1.35 -1.57 0.00 0.00 175.55 173.83 3dho h PRO 55 N 7.49 0.36 -0.20 -1.71 0.11 -1.94 -1.87 132.00 134.25 3dho h PRO 55 Ca -0.36 -0.02 0.06 0.00 0.11 0.00 0.00 66.00 65.79 3dho h PRO 55 Cb 1.18 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 3dho h PRO 55 CO 0.58 0.24 0.17 0.97 -0.21 0.00 0.00 178.00 179.75 3dho h ILE 56 N 0.37 0.65 0.00 4.15 2.10 -1.99 -0.14 117.51 122.65 3dho h ILE 56 Ca 0.57 0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.51 3dho h ILE 56 Cb 1.11 0.87 0.00 0.00 -1.09 0.00 0.00 36.82 37.71 3dho h ILE 56 CO -0.55 0.00 -0.17 0.18 -1.08 0.00 0.00 178.15 176.53 3dho n LEU 57 N -4.10 0.76 -1.52 2.19 4.77 -0.70 -4.94 117.00 113.46 3dho n LEU 57 Ca 0.02 0.47 -0.19 0.00 -0.03 0.00 0.00 56.01 56.28 3dho n LEU 57 Cb 0.31 -0.29 -0.08 0.00 -2.33 0.00 0.00 43.42 41.03 3dho n LEU 57 CO 0.31 -0.14 -0.18 -3.20 -1.33 0.00 0.00 177.39 172.85 3dho n ASN 58 N -2.19 -5.22 -4.79 -1.43 4.05 -0.07 -4.97 115.26 100.64 3dho n ASN 58 Ca 0.05 0.47 -0.35 0.00 0.45 0.00 0.00 54.58 55.20 3dho n ASN 58 Cb 0.43 -4.57 -0.05 0.00 1.23 0.00 0.00 39.78 36.82 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 -2.65 6.73 0.05 1.20 -4.77 -1.26 -5.04 116.67 110.93 3dho s ASP 59 Ca 0.00 1.94 0.06 0.00 -3.30 0.00 0.00 52.55 51.24 3dho s ASP 59 Cb 0.00 -2.57 -0.04 0.00 -1.09 0.00 0.00 42.92 39.22 3dho s ASP 59 CO 0.00 -0.51 -0.10 -0.54 0.70 0.00 0.00 175.17 174.72 3dho s LYS 60 N -2.75 2.29 -0.16 2.11 -0.14 -1.26 -4.90 119.74 114.93 3dho s LYS 60 Ca 0.60 -0.89 -0.03 0.00 -1.36 0.00 0.00 55.97 54.28 3dho s LYS 60 Cb -0.18 -2.36 -0.02 0.00 -1.68 0.00 0.00 37.83 33.58 3dho s LYS 60 CO 0.23 0.55 -0.04 -1.17 -0.76 0.00 0.00 175.35 174.16 3dho s LEU 61 N -1.74 3.16 -0.06 3.17 2.96 -0.24 -1.44 118.68 124.49 3dho s LEU 61 Ca 0.18 -0.18 0.02 0.00 -0.22 0.00 0.00 54.13 53.93 3dho s LEU 61 Cb -0.11 -1.77 0.02 0.00 0.50 0.00 0.00 46.19 44.83 3dho s LEU 61 CO 0.10 0.14 -0.10 -0.54 -1.32 0.00 0.00 176.35 174.63 3dho s LYS 62 N 0.54 1.41 -0.05 1.98 1.02 -0.24 -0.89 119.74 123.52 3dho s LYS 62 Ca -0.03 -0.32 0.04 0.00 0.02 0.00 0.00 55.97 55.67 3dho s LYS 62 Cb -0.14 -1.22 0.00 0.00 -0.52 0.00 0.00 37.83 35.95 3dho s LYS 62 CO 0.03 0.00 -0.15 0.42 -0.92 0.00 0.00 175.35 174.73 3dho s ILE 63 N 0.70 1.32 0.00 2.17 1.01 0.14 -0.41 121.20 126.13 3dho s ILE 63 Ca -0.13 -0.64 0.00 0.00 0.00 0.00 0.00 60.65 59.88 3dho s ILE 63 Cb -0.15 -1.15 0.00 0.00 0.01 0.00 0.00 42.46 41.17 3dho s ILE 63 CO 0.03 0.39 0.00 0.61 0.00 0.00 0.00 174.94 175.96 3dho n GLY 64 N 3.31 -1.52 3.94 6.18 0.00 -0.13 -0.43 105.19 116.55 3dho n GLY 64 Ca -0.19 -1.53 -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 -0.93 3.49 -1.54 1.61 1.02 -1.26 -2.46 119.74 119.66 3dho s LYS 65 Ca 0.00 -0.43 -0.00 0.00 0.02 0.00 0.00 55.97 55.56 3dho s LYS 65 Cb 0.00 -2.74 0.00 0.00 -0.52 0.00 0.00 37.83 34.57 3dho s LYS 65 CO 0.00 0.26 0.05 1.19 -0.92 0.00 0.00 175.35 175.93 3dho n PHE 66 N -1.48 -1.20 -3.08 3.18 3.72 -0.88 -0.64 117.46 117.07 3dho n PHE 66 Ca -0.06 0.04 -0.32 0.00 -0.05 0.00 0.00 57.45 57.06 3dho n PHE 66 Cb 0.56 -3.63 -0.06 0.00 -0.94 0.00 0.00 39.48 35.41 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 -2.37 4.58 -0.27 0.00 0.01 -0.26 -1.28 113.70 114.11 3dho s SER 68 Ca 0.54 -1.29 -0.06 0.00 1.31 0.00 0.00 55.95 56.46 3dho s SER 68 Cb -0.10 -1.62 0.00 0.00 0.21 0.00 0.00 66.02 64.51 3dho s SER 68 CO 0.19 -0.21 0.04 -0.63 0.41 0.00 0.00 173.24 173.04 3dho s ILE 69 N 1.18 3.77 0.91 1.44 -1.09 -0.35 -0.84 121.20 126.23 3dho s ILE 69 Ca -0.06 -0.63 -0.12 0.00 -2.23 0.00 0.00 60.65 57.60 3dho s ILE 69 Cb -0.19 -2.88 0.14 0.00 -1.58 0.00 0.00 42.46 37.95 3dho s ILE 69 CO -0.04 0.19 1.14 -0.83 -1.23 0.00 0.00 174.94 174.17 3dho s GLY 70 N 1.49 1.57 0.33 6.18 0.00 0.57 -1.40 107.32 116.06 3dho s GLY 70 Ca 0.03 -0.52 -0.29 0.00 0.00 0.00 0.00 44.72 43.94 3dho s GLY 70 CO 0.01 0.04 1.56 -1.55 0.00 0.00 0.00 173.10 173.15 3dho n PRO 71 N -3.77 2.71 -0.30 2.90 -0.04 -1.01 -3.09 135.00 132.39 3dho n PRO 71 Ca 0.06 0.96 0.00 0.00 -0.04 0.00 0.00 63.50 64.48 3dho n PRO 71 Cb 0.59 -2.72 0.00 0.00 -0.04 0.00 0.00 33.50 31.33 3dho n PRO 71 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3dho n GLY 72 N 1.50 1.84 3.63 0.55 0.00 -1.26 -0.82 105.19 110.62 3dho n GLY 72 Ca 0.06 0.00 -0.48 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 0.38 -4.87 1.61 0.31 -1.18 -4.29 118.33 108.30 3dho n VAL 73 Ca 0.00 -0.10 -0.31 0.00 -0.01 0.00 0.00 64.34 63.93 3dho n VAL 73 Cb 0.00 -1.15 -0.14 0.00 -0.91 0.00 0.00 33.84 31.64 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 0.34 2.40 -0.21 2.52 -4.23 -0.39 -4.81 115.64 111.26 3dho s THR 74 Ca 0.77 -1.25 -0.01 0.00 -1.18 0.00 0.00 61.69 60.02 3dho s THR 74 Cb -0.80 -1.95 0.01 0.00 1.34 0.00 0.00 72.50 71.11 3dho s THR 74 CO 0.46 0.39 -0.11 -0.63 -0.54 0.00 0.00 174.62 174.19 3dho s ILE 75 N -0.82 2.67 -0.37 2.99 1.01 -0.35 -1.02 121.20 125.32 3dho s ILE 75 Ca 0.12 -0.84 -0.14 0.00 0.00 0.00 0.00 60.65 59.80 3dho s ILE 75 Cb -0.10 -2.23 -0.00 0.00 0.01 0.00 0.00 42.46 40.14 3dho s ILE 75 CO 0.03 0.41 0.28 -0.63 0.00 0.00 0.00 174.94 175.02 3dho s ILE 76 N 1.35 5.26 0.00 2.92 -1.09 0.44 -0.94 121.20 129.14 3dho s ILE 76 Ca 0.04 -0.37 0.00 0.00 -2.23 0.00 0.00 60.65 58.09 3dho s ILE 76 Cb -0.14 -3.82 0.00 0.00 -1.58 0.00 0.00 42.46 36.92 3dho s ILE 76 CO -0.08 -0.15 0.00 0.23 -1.23 0.00 0.00 174.94 173.71 3dho n MET 77 N 5.17 0.56 -0.01 2.79 2.81 -0.19 -2.28 117.12 125.97 3dho n MET 77 Ca -0.11 0.00 0.13 0.00 -1.81 0.00 0.00 57.70 55.91 3dho n MET 77 Cb 0.49 0.00 0.65 0.00 -0.71 0.00 0.00 33.22 33.65 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 -2.87 0.77 0.12 7.83 3.02 -1.20 -4.25 115.26 118.68 3dho n ASN 78 Ca 0.00 -1.35 0.12 0.00 -0.03 0.00 0.00 54.58 53.32 3dho n ASN 78 Cb 0.00 -0.02 0.47 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 1.05 -1.38 1.21 7.41 0.00 0.40 -2.11 105.19 111.77 3dho n GLY 79 Ca 0.19 0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.38 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 2.40 -1.82 4.61 0.00 -1.26 -4.98 120.51 117.70 3dho n ALA 80 Ca 0.03 -1.10 -0.41 0.00 0.00 0.00 0.00 53.44 51.96 3dho n ALA 80 Cb 0.28 -0.87 -0.02 0.00 0.00 0.00 0.00 19.45 18.84 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 -1.31 6.66 0.05 0.00 0.01 -0.90 -5.02 114.94 114.44 3dho s ASN 81 Ca 0.42 2.72 -0.01 0.00 -0.71 0.00 0.00 52.86 55.28 3dho s ASN 81 Cb 0.23 -2.64 -0.04 0.00 0.41 0.00 0.00 41.25 39.21 3dho s ASN 81 CO 0.32 -0.65 0.21 -1.00 -1.51 0.00 0.00 177.10 174.46 3dho s HIS 82 N -0.63 3.53 0.35 2.20 3.76 -1.26 -4.96 115.29 118.28 3dho s HIS 82 Ca 0.54 0.28 -0.28 0.00 -0.15 0.00 0.00 55.06 55.44 3dho s HIS 82 Cb -0.42 -1.78 -0.11 0.00 1.11 0.00 0.00 32.58 31.39 3dho s HIS 82 CO 0.50 0.60 1.44 0.50 -0.85 0.00 0.00 174.74 176.93 3dho s ARG 83 N -2.39 4.19 0.00 1.40 3.52 -1.26 -4.58 118.95 119.82 3dho s ARG 83 Ca 0.33 2.45 0.00 0.00 -0.13 0.00 0.00 55.73 58.39 3dho s ARG 83 Cb -0.13 -3.01 0.00 0.00 -1.56 0.00 0.00 34.95 30.25 3dho s ARG 83 CO 0.26 -0.43 0.71 0.00 -0.81 0.00 0.00 175.30 175.03 3dho n MET 84 N 0.78 0.00 0.12 5.12 0.00 -1.26 -3.78 117.12 118.09 3dho n MET 84 Ca 0.01 -0.69 0.13 0.00 0.00 0.00 0.00 57.70 57.15 3dho n MET 84 Cb 0.40 -0.46 0.45 0.00 0.00 0.00 0.00 33.22 33.61 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 0.00 0.75 0.00 3.17 5.75 -1.26 -4.85 116.55 120.11 3dho n ASP 85 Ca 0.00 0.62 0.00 0.00 -0.01 0.00 0.00 54.79 55.40 3dho n ASP 85 Cb 0.59 -0.80 0.00 0.00 -1.03 0.00 0.00 41.12 39.88 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 0.68 4.55 3.76 6.12 0.00 -1.26 -5.12 105.19 113.92 3dho n GLY 86 Ca 0.04 -0.53 -0.41 0.00 0.00 0.00 0.00 46.02 45.11 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 1.25 6.62 0.00 1.61 0.15 -1.26 -4.90 113.70 117.17 3dho s SER 87 Ca 0.00 2.75 0.31 0.00 0.70 0.00 0.00 55.95 59.71 3dho s SER 87 Cb 0.00 -2.64 1.68 0.00 -1.71 0.00 0.00 66.02 63.35 3dho s SER 87 CO 0.00 -0.69 2.11 0.35 1.20 0.00 0.00 173.24 176.20 3dho n THR 88 N 1.59 0.00 -2.36 6.45 -2.24 -1.25 -4.63 114.28 111.85 3dho n THR 88 Ca 0.04 -0.04 -0.42 0.00 -2.27 0.00 0.00 64.05 61.36 3dho n THR 88 Cb 0.40 -0.33 -0.03 0.00 -2.10 0.00 0.00 70.33 68.28 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 -2.12 3.02 -1.37 4.78 6.14 -1.26 -4.69 117.35 121.85 3dho s TYR 89 Ca 0.42 1.03 -0.11 0.00 0.64 0.00 0.00 57.07 59.05 3dho s TYR 89 Cb 0.21 -3.53 0.10 0.00 0.42 0.00 0.00 41.96 39.17 3dho s TYR 89 CO 0.39 -1.81 2.07 -0.35 0.64 0.00 0.00 175.55 176.49 3dho n PRO 90 N 5.40 3.31 -0.29 4.97 -0.04 -1.26 -4.79 135.00 142.30 3dho n PRO 90 Ca 0.12 -3.09 0.12 0.00 -0.04 0.00 0.00 63.50 60.61 3dho n PRO 90 Cb 0.45 -3.07 0.27 0.00 -0.04 0.00 0.00 33.50 31.11 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 5.80 0.33 -0.89 0.54 -1.00 -1.91 -0.85 116.94 118.96 3dho h PHE 91 Ca 0.49 0.05 0.19 0.00 2.81 0.00 0.00 57.97 61.51 3dho h PHE 91 Cb 0.62 -0.01 -0.07 0.00 3.61 0.00 0.00 35.95 40.10 3dho h PHE 91 CO 1.37 -0.20 0.59 -2.95 -1.61 0.00 0.00 178.31 175.51 3dho h ASN 92 N 0.21 0.45 -0.78 2.17 -1.07 -1.81 -2.09 115.58 112.67 3dho h ASN 92 Ca 0.53 0.04 0.19 0.00 0.07 0.00 0.00 56.30 57.14 3dho h ASN 92 Cb 1.05 -0.04 -0.05 0.00 -2.07 0.00 0.00 38.32 37.21 3dho h ASN 92 CO -0.64 0.19 0.54 0.25 0.07 0.00 0.00 177.43 177.84 3dho h LEU 93 N 0.46 0.22 0.00 6.14 5.85 -1.47 -2.73 115.31 123.78 3dho h LEU 93 Ca 0.46 0.02 0.00 0.00 0.84 0.00 0.00 57.88 59.20 3dho h LEU 93 Cb 1.08 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.08 3dho h LEU 93 CO -0.19 0.10 -0.43 0.49 -0.34 0.00 0.00 178.44 178.07 3dho n PHE 94 N -4.42 0.05 -4.98 1.25 3.01 -0.78 -5.02 117.46 106.56 3dho n PHE 94 Ca 0.16 0.01 0.00 0.00 1.01 0.00 0.00 57.45 58.63 3dho n PHE 94 Cb 0.70 -0.32 0.00 0.00 -0.01 0.00 0.00 39.48 39.85 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 1.49 2.40 2.71 1.37 0.00 -1.03 -4.87 105.19 107.25 3dho n GLY 95 Ca 0.06 -0.44 -0.19 0.00 0.00 0.00 0.00 46.02 45.44 3dho n GLY 95 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3dho n ASN 96 N -0.09 -5.10 0.00 1.61 3.02 -1.26 -1.18 115.26 112.25 3dho n ASN 96 Ca 0.00 -0.08 0.00 0.00 -0.03 0.00 0.00 54.58 54.47 3dho n ASN 96 Cb 0.00 -4.23 0.00 0.00 -0.61 0.00 0.00 39.78 34.94 3dho n ASN 96 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dho n GLY 97 N -1.11 2.29 0.10 7.41 0.00 -1.26 -4.92 105.19 107.69 3dho n GLY 97 Ca -0.15 -0.21 0.12 0.00 0.00 0.00 0.00 46.02 45.77 3dho n GLY 97 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3dho n TRP 98 N 0.00 0.69 0.33 1.61 7.02 -0.33 -3.17 117.44 123.60 3dho n TRP 98 Ca 0.00 0.24 0.22 0.00 -1.02 0.00 0.00 57.50 56.94 3dho n TRP 98 Cb 0.00 -0.89 1.19 0.00 -2.42 0.00 0.00 31.31 29.19 3dho n TRP 98 CO 0.00 0.00 0.00 1.05 -2.02 0.00 0.00 177.69 176.72 3dho h GLU 99 N 0.00 0.00 0.00 -0.99 9.09 -1.72 -0.49 114.58 120.47 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 0.50 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.60 3dho h GLU 99 CO 0.00 0.00 0.00 0.36 0.05 0.00 0.00 179.01 179.42 3dho n LYS 100 N -3.04 0.18 -0.59 1.06 2.85 -1.19 -1.88 118.16 115.56 3dho n LYS 100 Ca -0.03 0.50 0.06 0.00 -1.05 0.00 0.00 58.31 57.80 3dho n LYS 100 Cb 0.07 -1.91 0.29 0.00 -0.65 0.00 0.00 35.03 32.83 3dho n LYS 100 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 3dho n HIS 101 N -2.27 1.39 -1.59 5.58 8.25 -0.19 -4.96 115.22 121.44 3dho n HIS 101 Ca 0.01 -0.51 -0.53 0.00 -0.26 0.00 0.00 57.72 56.43 3dho n HIS 101 Cb 0.16 -0.32 -0.06 0.00 1.12 0.00 0.00 29.99 30.90 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 0.64 1.09 -2.16 -0.41 2.81 -0.79 -4.57 117.12 113.73 3dho n MET 102 Ca 0.21 0.39 -0.37 0.00 -1.81 0.00 0.00 57.70 56.12 3dho n MET 102 Cb 0.85 -2.03 0.00 0.00 -0.71 0.00 0.00 33.22 31.33 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 0.54 3.64 0.68 0.03 0.04 -1.26 -5.02 135.00 133.65 3dho s PRO 103 Ca 0.85 1.87 -0.11 0.00 0.04 0.00 0.00 61.00 63.65 3dho s PRO 103 Cb -0.97 -2.38 -0.00 0.00 0.04 0.00 0.00 34.50 31.18 3dho s PRO 103 CO 0.48 -0.68 1.07 0.15 0.04 0.00 0.00 177.00 178.06 3dho s LYS 104 N -2.73 3.10 0.27 4.56 1.02 -1.26 -4.94 119.74 119.75 3dho s LYS 104 Ca 0.65 0.61 -0.01 0.00 0.02 0.00 0.00 55.97 57.25 3dho s LYS 104 Cb -0.31 -2.04 0.53 0.00 -0.52 0.00 0.00 37.83 35.50 3dho s LYS 104 CO 0.37 -0.90 1.77 -0.07 -0.92 0.00 0.00 175.35 175.61 3dho h LEU 105 N -0.56 0.59 -0.15 3.17 3.38 -1.97 0.37 115.31 120.15 3dho h LEU 105 Ca -0.45 0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.61 3dho h LEU 105 Cb 1.23 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.96 3dho h LEU 105 CO 0.62 0.26 0.00 -0.90 0.09 0.00 0.00 178.44 178.52 3dho n ASP 106 N -4.83 0.22 0.01 -0.43 5.75 -1.26 -2.75 116.55 113.26 3dho n ASP 106 Ca 0.17 -1.48 0.11 0.00 -0.01 0.00 0.00 54.79 53.58 3dho n ASP 106 Cb 0.42 -0.01 -0.05 0.00 -1.03 0.00 0.00 41.12 40.44 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 -0.63 0.26 -3.32 0.11 6.02 0.12 -4.94 117.38 114.99 3dho n GLN 107 Ca 0.14 -0.04 -0.38 0.00 -0.01 0.00 0.00 57.00 56.71 3dho n GLN 107 Cb 0.10 -1.54 -0.06 0.00 1.02 0.00 0.00 30.24 29.75 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 -3.70 4.34 0.27 1.08 1.43 -1.11 -4.68 118.68 116.30 3dho s LEU 108 Ca 0.03 0.92 -0.30 0.00 -1.03 0.00 0.00 54.13 53.75 3dho s LEU 108 Cb 0.15 -2.73 -0.10 0.00 0.03 0.00 0.00 46.19 43.54 3dho s LEU 108 CO 0.84 0.08 1.44 -2.84 0.23 0.00 0.00 176.35 176.10 3dho s PRO 109 N 0.15 4.26 -0.20 1.29 0.02 -1.26 -4.98 135.00 134.27 3dho s PRO 109 Ca 0.27 2.33 0.01 0.00 0.02 0.00 0.00 61.00 63.63 3dho s PRO 109 Cb -0.16 -3.09 0.04 0.00 0.02 0.00 0.00 34.50 31.30 3dho s PRO 109 CO 0.12 -0.42 -0.13 0.42 -0.33 0.00 0.00 177.00 176.66 3dho s ILE 110 N -0.16 1.84 -0.51 2.83 -1.09 -1.26 -4.91 121.20 117.94 3dho s ILE 110 Ca 0.58 -1.07 0.25 0.00 -2.23 0.00 0.00 60.65 58.19 3dho s ILE 110 Cb -0.42 -1.83 0.28 0.00 -1.58 0.00 0.00 42.46 38.90 3dho s ILE 110 CO 0.45 0.26 1.75 0.11 -1.23 0.00 0.00 174.94 176.29 3dho h LYS 111 N 7.94 0.00 0.00 2.79 1.57 -1.94 -3.49 116.57 123.44 3dho h LYS 111 Ca -0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 3dho h LYS 111 Cb 1.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.41 3dho h LYS 111 CO 0.52 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.81 3dho n GLY 112 N 0.44 0.73 3.86 3.86 0.00 -1.26 -4.46 105.19 108.36 3dho n GLY 112 Ca 0.03 -2.31 -0.31 0.00 0.00 0.00 0.00 46.02 43.43 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 -0.95 6.08 -0.22 1.61 1.01 -1.26 -3.54 116.67 119.40 3dho s ASP 113 Ca 0.00 1.48 -0.07 0.00 0.71 0.00 0.00 52.55 54.67 3dho s ASP 113 Cb 0.00 -2.48 -0.03 0.00 1.01 0.00 0.00 42.92 41.42 3dho s ASP 113 CO 0.00 -0.97 0.06 -0.89 0.21 0.00 0.00 175.17 173.58 3dho s THR 114 N -3.10 4.42 -0.20 -1.27 2.01 -0.52 -3.79 115.64 113.19 3dho s THR 114 Ca 0.56 -0.15 -0.01 0.00 0.31 0.00 0.00 61.69 62.40 3dho s THR 114 Cb -0.12 -3.03 0.06 0.00 0.01 0.00 0.00 72.50 69.42 3dho s THR 114 CO 0.52 0.39 -0.02 -0.63 -0.69 0.00 0.00 174.62 174.20 3dho s ILE 115 N 1.09 1.03 -0.17 1.82 1.01 -0.43 -1.08 121.20 124.47 3dho s ILE 115 Ca 0.04 -0.82 -0.06 0.00 0.00 0.00 0.00 60.65 59.81 3dho s ILE 115 Cb -0.14 -1.37 -0.04 0.00 0.01 0.00 0.00 42.46 40.92 3dho s ILE 115 CO 0.03 -0.09 0.04 -0.63 0.00 0.00 0.00 174.94 174.29 3dho s ILE 116 N 1.63 4.64 0.00 2.92 1.01 0.46 -0.56 121.20 131.29 3dho s ILE 116 Ca -0.02 -0.09 0.00 0.00 0.00 0.00 0.00 60.65 60.53 3dho s ILE 116 Cb -0.17 -3.06 0.00 0.00 0.01 0.00 0.00 42.46 39.23 3dho s ILE 116 CO -0.07 0.49 0.00 0.61 0.00 0.00 0.00 174.94 175.97 3dho n GLY 117 N 3.33 -1.67 3.89 6.18 0.00 0.51 -0.95 105.19 116.49 3dho n GLY 117 Ca -0.17 -1.50 -0.32 0.00 0.00 0.00 0.00 46.02 44.03 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 -1.31 6.53 -1.48 1.61 0.01 -1.26 -2.20 114.94 116.85 3dho s ASN 118 Ca 0.00 0.67 -0.06 0.00 -0.71 0.00 0.00 52.86 52.75 3dho s ASN 118 Cb 0.00 -2.12 0.01 0.00 0.41 0.00 0.00 41.25 39.54 3dho s ASN 118 CO 0.00 0.06 0.82 -0.67 -1.51 0.00 0.00 177.10 175.80 3dho n ASP 119 N 0.22 -6.22 -4.76 -1.22 4.64 0.19 -0.97 116.55 108.42 3dho n ASP 119 Ca -0.03 -0.38 -0.35 0.00 -1.38 0.00 0.00 54.79 52.64 3dho n ASP 119 Cb 0.52 -4.97 -0.08 0.00 -1.04 0.00 0.00 41.12 35.56 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 -3.23 5.36 -0.23 5.18 1.01 -1.26 -3.16 120.40 124.08 3dho s VAL 120 Ca 0.41 0.17 -0.06 0.00 0.00 0.00 0.00 61.98 62.50 3dho s VAL 120 Cb -0.18 -3.41 -0.03 0.00 0.00 0.00 0.00 36.38 32.76 3dho s VAL 120 CO 0.51 0.49 0.03 0.86 0.00 0.00 0.00 175.10 176.99 3dho s TRP 121 N -0.02 3.06 -0.20 5.22 -0.00 -0.88 -1.10 118.94 125.02 3dho s TRP 121 Ca 0.09 -0.47 -0.02 0.00 -0.00 0.00 0.00 56.10 55.70 3dho s TRP 121 Cb -0.11 -2.16 0.00 0.00 -0.00 0.00 0.00 33.47 31.19 3dho s TRP 121 CO -0.00 -0.32 -0.10 0.42 -0.00 0.00 0.00 176.95 176.95 3dho s ILE 122 N 1.33 2.88 0.93 5.86 1.01 -0.02 -0.78 121.20 132.41 3dho s ILE 122 Ca 0.05 -0.66 -0.12 0.00 0.00 0.00 0.00 60.65 59.91 3dho s ILE 122 Cb -0.15 -2.28 0.15 0.00 0.01 0.00 0.00 42.46 40.19 3dho s ILE 122 CO 0.02 0.47 1.12 -0.83 0.00 0.00 0.00 174.94 175.71 3dho s GLY 123 N 1.37 1.58 0.17 6.18 0.00 0.10 -0.32 107.32 116.41 3dho s GLY 123 Ca 0.05 -0.41 -0.32 0.00 0.00 0.00 0.00 44.72 44.03 3dho s GLY 123 CO -0.06 0.15 1.00 1.17 0.00 0.00 0.00 173.10 175.36 3dho n LYS 124 N -3.88 0.82 -1.29 2.90 4.81 -1.26 -2.99 118.16 117.26 3dho n LYS 124 Ca 0.06 0.29 -0.10 0.00 -0.87 0.00 0.00 58.31 57.69 3dho n LYS 124 Cb 0.58 -1.67 -0.04 0.00 0.02 0.00 0.00 35.03 33.92 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 1.83 -5.33 -4.77 3.14 10.43 -0.00 -0.34 116.55 121.51 3dho n ASP 125 Ca 0.15 0.25 -0.39 0.00 2.57 0.00 0.00 54.79 57.37 3dho n ASP 125 Cb 0.24 -3.72 -0.01 0.00 1.84 0.00 0.00 41.12 39.47 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 -2.00 2.68 -0.20 2.53 1.01 -1.16 -4.36 120.40 118.89 3dho s VAL 126 Ca 0.00 0.60 -0.04 0.00 0.00 0.00 0.00 61.98 62.54 3dho s VAL 126 Cb 0.00 -3.35 -0.02 0.00 0.00 0.00 0.00 36.38 33.01 3dho s VAL 126 CO 0.00 0.08 -0.02 -0.69 0.00 0.00 0.00 175.10 174.47 3dho s VAL 127 N -1.28 3.69 -0.35 2.92 1.01 -0.13 -1.26 120.40 125.01 3dho s VAL 127 Ca 0.57 -0.40 -0.13 0.00 0.00 0.00 0.00 61.98 62.02 3dho s VAL 127 Cb -0.37 -2.67 -0.01 0.00 0.00 0.00 0.00 36.38 33.33 3dho s VAL 127 CO 0.47 0.43 0.25 -0.63 0.00 0.00 0.00 175.10 175.62 3dho s ILE 128 N 1.15 5.27 0.69 2.22 -1.09 -0.19 -0.46 121.20 128.78 3dho s ILE 128 Ca 0.02 -0.27 -0.11 0.00 -2.23 0.00 0.00 60.65 58.06 3dho s ILE 128 Cb -0.15 -3.73 0.01 0.00 -1.58 0.00 0.00 42.46 37.01 3dho s ILE 128 CO 0.00 -0.04 1.08 -0.04 -1.23 0.00 0.00 174.94 174.71 3dho s MET 129 N 1.72 2.98 0.49 2.79 -1.94 -0.42 -0.42 119.30 124.50 3dho s MET 129 Ca 0.06 0.49 -0.23 0.00 -1.71 0.00 0.00 55.69 54.31 3dho s MET 129 Cb -0.18 -2.04 -0.07 0.00 2.01 0.00 0.00 34.83 34.55 3dho s MET 129 CO 0.10 -0.95 1.20 -2.30 -0.01 0.00 0.00 175.02 173.07 3dho n PRO 130 N -2.95 1.59 -0.89 2.03 -0.02 -0.97 -3.64 135.00 130.15 3dho n PRO 130 Ca 0.07 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 3dho n PRO 130 Cb 0.57 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 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 0.93 0.71 3.84 -1.23 0.00 -1.23 -4.82 105.19 103.39 3dho n GLY 131 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 3dho n GLY 131 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3dho s VAL 132 N -2.72 4.75 -0.14 1.61 -7.23 -1.24 -4.68 120.40 110.75 3dho s VAL 132 Ca 0.00 0.93 0.00 0.00 -1.81 0.00 0.00 61.98 61.10 3dho s VAL 132 Cb 0.00 -3.73 -0.01 0.00 0.56 0.00 0.00 36.38 33.21 3dho s VAL 132 CO 0.00 0.10 -0.14 -0.54 -0.31 0.00 0.00 175.10 174.20 3dho s LYS 133 N -2.30 3.28 -0.16 4.82 -0.14 -1.26 -1.32 119.74 122.67 3dho s LYS 133 Ca 0.44 -0.72 0.01 0.00 -1.36 0.00 0.00 55.97 54.33 3dho s LYS 133 Cb -0.14 -2.62 0.00 0.00 -1.68 0.00 0.00 37.83 33.39 3dho s LYS 133 CO 0.20 0.10 -0.17 0.42 -0.76 0.00 0.00 175.35 175.14 3dho s ILE 134 N 0.62 2.46 0.71 2.17 1.01 0.27 -1.21 121.20 127.23 3dho s ILE 134 Ca -0.08 -0.83 -0.11 0.00 0.00 0.00 0.00 60.65 59.62 3dho s ILE 134 Cb -0.16 -2.03 0.02 0.00 0.01 0.00 0.00 42.46 40.30 3dho s ILE 134 CO 0.03 0.52 1.07 -0.83 0.00 0.00 0.00 174.94 175.73 3dho s GLY 135 N 0.91 1.72 0.28 6.18 0.00 0.42 -0.36 107.32 116.48 3dho s GLY 135 Ca -0.04 0.18 -0.28 0.00 0.00 0.00 0.00 44.72 44.58 3dho s GLY 135 CO -0.02 0.51 0.99 1.22 0.00 0.00 0.00 173.10 175.79 3dho n ASP 136 N -3.14 1.18 0.00 1.64 10.43 -1.26 -2.62 116.55 122.78 3dho n ASP 136 Ca 0.08 1.18 0.00 0.00 2.57 0.00 0.00 54.79 58.62 3dho n ASP 136 Cb 0.53 -1.27 0.00 0.00 1.84 0.00 0.00 41.12 42.22 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 1.27 0.81 3.74 0.44 0.00 -0.15 -0.86 105.19 110.44 3dho n GLY 137 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.38 2.03 -0.08 4.61 0.00 -1.08 -3.93 121.76 119.93 3dho s ALA 138 Ca 0.00 0.46 0.01 0.00 0.00 0.00 0.00 51.96 52.42 3dho s ALA 138 Cb 0.00 -3.35 0.02 0.00 0.00 0.00 0.00 23.12 19.79 3dho s ALA 138 CO 0.00 -2.02 -0.08 0.42 0.00 0.00 0.00 175.76 174.08 3dho s ILE 139 N -2.67 0.90 -0.23 0.00 1.01 0.19 -2.07 121.20 118.32 3dho s ILE 139 Ca 0.65 -0.28 -0.05 0.00 0.00 0.00 0.00 60.65 60.97 3dho s ILE 139 Cb -0.20 -0.89 -0.02 0.00 0.01 0.00 0.00 42.46 41.36 3dho s ILE 139 CO 0.54 0.32 0.00 -0.69 0.00 0.00 0.00 174.94 175.12 3dho s VAL 140 N 1.23 3.76 0.47 2.92 1.01 0.04 -0.79 120.40 129.05 3dho s VAL 140 Ca -0.05 -0.36 -0.24 0.00 0.00 0.00 0.00 61.98 61.34 3dho s VAL 140 Cb -0.14 -2.73 -0.08 0.00 0.00 0.00 0.00 36.38 33.43 3dho s VAL 140 CO -0.02 0.39 1.24 0.00 0.00 0.00 0.00 175.10 176.71 3dho n ALA 141 N 4.81 1.17 -1.46 5.51 0.00 0.15 -0.72 120.51 129.98 3dho n ALA 141 Ca -0.17 0.20 -0.42 0.00 0.00 0.00 0.00 53.44 53.05 3dho n ALA 141 Cb 0.51 -2.26 0.01 0.00 0.00 0.00 0.00 19.45 17.71 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 -0.61 -1.43 -1.05 0.00 0.00 -1.26 -2.33 120.51 113.83 3dho n ALA 142 Ca 0.08 0.16 -0.02 0.00 0.00 0.00 0.00 53.44 53.67 3dho n ALA 142 Cb 0.42 -1.79 -0.01 0.00 0.00 0.00 0.00 19.45 18.07 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 1.24 -5.06 -4.76 0.00 3.02 0.53 -4.83 115.26 105.40 3dho n ASN 143 Ca 0.11 0.04 -0.32 0.00 -0.03 0.00 0.00 54.58 54.39 3dho n ASN 143 Cb 0.40 -2.72 0.07 0.00 -0.61 0.00 0.00 39.78 36.92 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 -2.10 4.77 -0.26 6.41 0.01 -0.98 -4.77 113.70 116.77 3dho s SER 144 Ca 0.00 1.96 0.01 0.00 1.31 0.00 0.00 55.95 59.23 3dho s SER 144 Cb 0.00 -2.54 0.07 0.00 0.21 0.00 0.00 66.02 63.76 3dho s SER 144 CO 0.00 -1.86 -0.01 -0.69 0.41 0.00 0.00 173.24 171.10 3dho s VAL 145 N -2.54 1.44 -0.35 3.43 1.01 -0.25 -0.95 120.40 122.18 3dho s VAL 145 Ca 0.65 -1.36 -0.17 0.00 0.00 0.00 0.00 61.98 61.10 3dho s VAL 145 Cb -0.20 -1.84 -0.00 0.00 0.00 0.00 0.00 36.38 34.34 3dho s VAL 145 CO 0.47 -0.28 0.44 -0.69 0.00 0.00 0.00 175.10 175.05 3dho s VAL 146 N 1.40 5.09 -0.01 2.92 1.01 0.39 -0.70 120.40 130.50 3dho s VAL 146 Ca -0.00 0.15 0.07 0.00 0.00 0.00 0.00 61.98 62.19 3dho s VAL 146 Cb -0.18 -3.91 -0.10 0.00 0.00 0.00 0.00 36.38 32.19 3dho s VAL 146 CO -0.10 -0.18 0.14 1.33 0.00 0.00 0.00 175.10 176.29 3dho n VAL 147 N 5.35 0.00 -4.49 2.92 0.24 -1.26 -1.30 118.33 119.78 3dho n VAL 147 Ca -0.07 -0.15 -0.24 0.00 -2.04 0.00 0.00 64.34 61.85 3dho n VAL 147 Cb 0.49 0.35 -0.09 0.00 -1.47 0.00 0.00 33.84 33.12 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 -2.45 1.79 0.60 7.34 -2.85 -1.26 -4.83 119.74 118.08 3dho s LYS 148 Ca -0.02 -2.04 -0.18 0.00 -1.00 0.00 0.00 55.97 52.73 3dho s LYS 148 Cb 0.04 -0.81 -0.03 0.00 -2.06 0.00 0.00 37.83 34.97 3dho s LYS 148 CO 0.27 -0.31 1.15 -0.51 0.10 0.00 0.00 175.35 176.05 3dho s ASP 149 N -3.55 5.32 -0.11 0.03 1.01 -1.26 -4.73 116.67 113.37 3dho s ASP 149 Ca 0.30 2.20 0.04 0.00 0.71 0.00 0.00 52.55 55.80 3dho s ASP 149 Cb 0.06 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 41.41 3dho s ASP 149 CO 0.14 -1.50 -0.23 -0.63 0.21 0.00 0.00 175.17 173.16 3dho s ILE 150 N -1.88 2.11 0.72 0.77 1.01 -0.35 -4.96 121.20 118.63 3dho s ILE 150 Ca 0.73 -1.00 -0.11 0.00 0.00 0.00 0.00 60.65 60.27 3dho s ILE 150 Cb -0.25 -1.81 0.02 0.00 0.01 0.00 0.00 42.46 40.43 3dho s ILE 150 CO 0.33 0.56 1.07 0.00 0.00 0.00 0.00 174.94 176.90 3dho s ALA 151 N 0.42 2.58 0.40 9.38 0.00 -1.26 -0.44 121.76 132.83 3dho s ALA 151 Ca -0.17 -0.03 -0.26 0.00 0.00 0.00 0.00 51.96 51.50 3dho s ALA 151 Cb -0.18 -3.15 -0.11 0.00 0.00 0.00 0.00 23.12 19.69 3dho s ALA 151 CO 0.07 -1.35 1.30 -2.30 0.00 0.00 0.00 175.76 173.48 3dho n PRO 152 N -3.20 2.06 -3.12 0.00 -0.02 -1.26 -3.00 135.00 126.46 3dho n PRO 152 Ca 0.07 0.73 -0.22 0.00 -2.02 0.00 0.00 63.50 62.07 3dho n PRO 152 Cb 0.54 -2.40 0.01 0.00 -0.02 0.00 0.00 33.50 31.63 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 0.00 -1.80 -3.79 6.00 4.02 -0.04 -4.85 117.16 116.70 3dho n TYR 153 Ca 0.05 0.43 -0.35 0.00 -0.01 0.00 0.00 57.90 58.03 3dho n TYR 153 Cb 0.39 -3.51 -0.05 0.00 -0.02 0.00 0.00 39.34 36.14 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 -5.78 3.55 -0.03 -0.72 -1.94 -1.16 -0.60 119.30 112.62 3dho s MET 154 Ca 0.31 -0.11 -0.23 0.00 -1.71 0.00 0.00 55.69 53.95 3dho s MET 154 Cb -0.16 -3.10 -0.04 0.00 2.01 0.00 0.00 34.83 33.54 3dho s MET 154 CO 0.39 0.67 0.69 -0.51 -0.01 0.00 0.00 175.02 176.25 3dho s LEU 155 N -1.66 4.36 0.05 -0.03 1.43 -0.34 -0.64 118.68 121.86 3dho s LEU 155 Ca 0.25 1.24 0.02 0.00 -1.03 0.00 0.00 54.13 54.61 3dho s LEU 155 Cb -0.13 -3.08 -0.03 0.00 0.03 0.00 0.00 46.19 42.98 3dho s LEU 155 CO 0.15 -0.05 -0.07 0.00 0.23 0.00 0.00 176.35 176.61 3dho s ALA 156 N 0.43 0.62 0.04 4.21 0.00 0.03 -0.09 121.76 127.01 3dho s ALA 156 Ca 0.36 -0.93 -0.28 0.00 0.00 0.00 0.00 51.96 51.11 3dho s ALA 156 Cb -0.18 0.11 0.09 0.00 0.00 0.00 0.00 23.12 23.14 3dho s ALA 156 CO 0.19 -0.12 1.05 0.20 0.00 0.00 0.00 175.76 177.08 3dho s GLY 157 N -2.05 -0.33 0.00 0.00 0.00 -0.52 -0.67 107.32 103.74 3dho s GLY 157 Ca -0.04 0.62 0.00 0.00 0.00 0.00 0.00 44.72 45.30 3dho s GLY 157 CO -0.02 0.16 0.00 0.61 0.00 0.00 0.00 173.10 173.85 3dho n GLY 158 N -0.38 -2.31 2.55 0.20 0.00 -1.26 -1.14 105.19 102.84 3dho n GLY 158 Ca -0.07 -2.20 -0.28 0.00 0.00 0.00 0.00 46.02 43.47 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 -0.03 3.39 0.50 1.61 2.47 -1.26 -1.10 114.94 120.52 3dho s ASN 159 Ca 0.00 -1.29 -0.20 0.00 0.42 0.00 0.00 52.86 51.79 3dho s ASN 159 Cb 0.00 -0.29 -0.08 0.00 -1.45 0.00 0.00 41.25 39.43 3dho s ASN 159 CO 0.00 -0.43 1.07 -2.16 -3.72 0.00 0.00 177.10 171.86 3dho s PRO 160 N 2.08 3.65 0.36 0.43 0.04 -1.26 -5.00 135.00 135.30 3dho s PRO 160 Ca 0.09 1.47 -0.28 0.00 0.04 0.00 0.00 61.00 62.32 3dho s PRO 160 Cb -0.16 -2.09 -0.10 0.00 0.04 0.00 0.00 34.50 32.19 3dho s PRO 160 CO -0.35 -0.57 1.32 0.00 0.04 0.00 0.00 177.00 177.43 3dho s ALA 161 N -1.88 3.43 0.09 8.56 0.00 0.12 -4.91 121.76 127.18 3dho s ALA 161 Ca 0.69 1.27 0.06 0.00 0.00 0.00 0.00 51.96 53.99 3dho s ALA 161 Cb -0.20 -3.49 -0.03 0.00 0.00 0.00 0.00 23.12 19.40 3dho s ALA 161 CO 0.23 -0.72 -0.17 -0.80 0.00 0.00 0.00 175.76 174.30 3dho s ASN 162 N -0.54 2.08 0.22 0.00 -0.87 -0.29 -4.77 114.94 110.76 3dho s ASN 162 Ca 0.52 -0.68 -0.31 0.00 -1.57 0.00 0.00 52.86 50.81 3dho s ASN 162 Cb -0.40 -0.09 -0.12 0.00 -0.02 0.00 0.00 41.25 40.63 3dho s ASN 162 CO 0.52 -0.04 1.67 -1.61 -2.57 0.00 0.00 177.10 175.08 3dho s GLU 163 N -1.99 4.14 -0.22 -0.60 2.02 -1.26 -1.44 118.70 119.35 3dho s GLU 163 Ca 0.03 2.57 -0.16 0.00 0.02 0.00 0.00 54.97 57.43 3dho s GLU 163 Cb -0.09 -3.07 -0.10 0.00 0.10 0.00 0.00 34.13 30.97 3dho s GLU 163 CO 0.03 -0.70 -0.23 -0.89 0.02 0.00 0.00 175.26 173.49 3dho n ILE 164 N 3.52 1.50 -3.58 -1.63 5.41 0.87 -4.94 119.36 120.52 3dho n ILE 164 Ca 0.14 -0.07 -0.07 0.00 1.00 0.00 0.00 62.75 63.75 3dho n ILE 164 Cb 0.36 -2.13 -0.02 0.00 -0.71 0.00 0.00 39.64 37.14 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 -2.56 0.95 0.35 0.38 -2.85 -1.17 -5.03 119.74 109.80 3dho s LYS 165 Ca -0.30 -0.42 -0.28 0.00 -1.00 0.00 0.00 55.97 53.97 3dho s LYS 165 Cb 0.08 0.39 -0.10 0.00 -2.06 0.00 0.00 37.83 36.14 3dho s LYS 165 CO 0.45 -0.42 1.27 -0.65 0.10 0.00 0.00 175.35 176.09 3dho s GLN 166 N -3.18 4.28 0.20 1.78 -0.21 -1.26 -1.19 119.66 120.07 3dho s GLN 166 Ca 0.07 2.12 -0.01 0.00 0.02 0.00 0.00 55.36 57.56 3dho s GLN 166 Cb -0.01 -2.98 0.14 0.00 1.00 0.00 0.00 33.01 31.16 3dho s GLN 166 CO -0.05 -0.22 1.51 0.00 -2.12 0.00 0.00 175.29 174.41 3dho h ARG 167 N 3.20 0.48 -4.77 2.91 3.08 -1.19 -3.46 114.38 114.63 3dho h ARG 167 Ca -0.49 -0.31 -0.32 0.00 0.07 0.00 0.00 59.98 58.93 3dho h ARG 167 Cb 1.23 0.04 -0.15 0.00 0.08 0.00 0.00 29.97 31.17 3dho h ARG 167 CO 0.65 0.92 -0.60 -0.06 -1.07 0.00 0.00 179.97 179.80 3dho s PHE 168 N -3.93 1.41 0.76 3.04 0.08 -1.26 -5.10 117.98 112.97 3dho s PHE 168 Ca -0.07 -1.30 -0.13 0.00 0.12 0.00 0.00 56.93 55.55 3dho s PHE 168 Cb 0.11 -0.75 0.05 0.00 -0.57 0.00 0.00 43.02 41.86 3dho s PHE 168 CO 0.83 -0.50 1.13 0.16 -0.10 0.00 0.00 175.22 176.74 3dho s ASP 169 N -3.26 4.34 0.28 1.36 -4.77 -1.26 -4.78 116.67 108.58 3dho s ASP 169 Ca 0.38 2.04 -0.02 0.00 -3.30 0.00 0.00 52.55 51.65 3dho s ASP 169 Cb 0.07 -2.55 0.42 0.00 -1.09 0.00 0.00 42.92 39.77 3dho s ASP 169 CO 0.14 -2.15 1.92 -0.61 0.70 0.00 0.00 175.17 175.18 3dho h GLN 170 N -0.76 1.13 -0.35 2.11 5.75 -2.00 -1.12 115.11 119.87 3dho h GLN 170 Ca -0.45 -0.07 -0.06 0.00 -0.15 0.00 0.00 58.65 57.92 3dho h GLN 170 Cb 1.25 -0.25 -0.01 0.00 1.07 0.00 0.00 27.48 29.54 3dho h GLN 170 CO 0.50 0.75 -0.00 0.22 -2.65 0.00 0.00 178.83 177.65 3dho h ASP 171 N 1.16 0.60 -0.25 -0.69 3.58 -1.99 0.18 116.42 119.01 3dho h ASP 171 Ca 0.37 -0.31 0.05 0.00 0.42 0.00 0.00 57.03 57.56 3dho h ASP 171 Cb 0.02 -0.16 -0.04 0.00 1.72 0.00 0.00 39.33 40.87 3dho h ASP 171 CO -0.11 0.77 -0.02 0.74 -2.88 0.00 0.00 179.24 177.74 3dho h THR 172 N 0.42 0.80 -0.28 2.25 2.02 -1.83 -0.94 112.91 115.34 3dho h THR 172 Ca 0.10 -0.02 0.05 0.00 0.77 0.00 0.00 66.41 67.31 3dho h THR 172 Cb 0.46 0.74 -0.04 0.00 -1.74 0.00 0.00 68.15 67.56 3dho h THR 172 CO 0.02 0.01 0.01 0.40 0.37 0.00 0.00 175.52 176.33 3dho h ILE 173 N 0.06 0.81 -0.55 3.11 2.04 -0.93 -0.79 117.51 121.25 3dho h ILE 173 Ca 0.12 -0.03 0.09 0.00 1.00 0.00 0.00 64.86 66.03 3dho h ILE 173 Cb 0.16 0.70 -0.07 0.00 -0.74 0.00 0.00 36.82 36.88 3dho h ILE 173 CO -0.22 0.02 0.17 0.78 0.00 0.00 0.00 178.15 178.90 3dho h ASN 174 N 0.10 0.13 -0.52 1.72 2.35 -0.32 -0.20 115.58 118.84 3dho h ASN 174 Ca 0.13 0.08 -0.06 0.00 -0.55 0.00 0.00 56.30 55.91 3dho h ASN 174 Cb 0.17 0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.60 3dho h ASN 174 CO -0.22 0.09 0.10 1.56 -1.65 0.00 0.00 177.43 177.31 3dho h GLN 175 N 0.33 0.84 -0.55 0.81 4.20 -0.86 -1.50 115.11 118.39 3dho h GLN 175 Ca 0.27 -0.22 -0.00 0.00 0.06 0.00 0.00 58.65 58.76 3dho h GLN 175 Cb 0.34 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.99 3dho h GLN 175 CO -0.30 0.82 0.34 -0.07 -0.67 0.00 0.00 178.83 178.95 3dho h LEU 176 N 0.73 0.65 -1.90 1.46 3.38 -0.68 -0.51 115.31 118.45 3dho h LEU 176 Ca 0.16 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 3dho h LEU 176 Cb 0.38 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 3dho h LEU 176 CO 0.01 0.51 -0.12 -0.07 0.09 0.00 0.00 178.44 178.85 3dho h LEU 177 N 0.74 0.00 0.09 1.67 3.38 -0.77 -2.07 115.31 118.35 3dho h LEU 177 Ca 0.20 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.02 3dho h LEU 177 Cb -0.04 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.73 3dho h LEU 177 CO -0.04 0.12 -0.64 -0.78 0.09 0.00 0.00 178.44 177.19 3dho h ASP 178 N 0.00 0.41 0.31 -0.43 3.58 -0.55 -3.38 116.42 116.36 3dho h ASP 178 Ca -0.00 -0.91 -0.16 0.00 0.42 0.00 0.00 57.03 56.37 3dho h ASP 178 Cb 0.33 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.24 3dho h ASP 178 CO 0.02 1.29 -0.65 0.16 -2.88 0.00 0.00 179.24 177.17 3dho h ILE 179 N -0.40 1.38 -6.62 2.25 3.07 -0.91 -3.48 117.51 112.81 3dho h ILE 179 Ca -0.11 -2.05 -0.52 0.00 1.55 0.00 0.00 64.86 63.74 3dho h ILE 179 Cb 1.46 2.04 0.03 0.00 -0.27 0.00 0.00 36.82 40.08 3dho h ILE 179 CO 0.12 0.61 -0.97 0.29 -1.05 0.00 0.00 178.15 177.15 3dho n LYS 180 N -3.86 -0.73 -0.13 0.16 5.02 -0.80 -4.83 118.16 113.00 3dho n LYS 180 Ca -0.03 0.30 0.19 0.00 -2.02 0.00 0.00 58.31 56.75 3dho n LYS 180 Cb 0.66 -3.19 0.59 0.00 -0.02 0.00 0.00 35.03 33.07 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 -2.14 0.28 0.00 2.13 5.08 -1.93 -1.30 115.95 118.08 3dho h TRP 181 Ca -0.68 0.01 -0.00 0.00 1.08 0.00 0.00 58.89 59.30 3dho h TRP 181 Cb 1.38 -0.09 -0.00 0.00 -3.00 0.00 0.00 29.16 27.45 3dho h TRP 181 CO 0.34 0.10 -0.00 0.11 -1.28 0.00 0.00 178.44 177.71 3dho h TRP 182 N 0.23 0.00 -0.00 0.12 0.09 -1.97 -1.67 115.95 112.75 3dho h TRP 182 Ca 0.36 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.34 3dho h TRP 182 Cb 1.07 0.00 0.00 0.00 0.08 0.00 0.00 29.16 30.31 3dho h TRP 182 CO -0.00 0.00 -0.19 0.09 0.09 0.00 0.00 178.44 178.43 3dho n ASN 183 N -3.36 0.47 -4.78 0.11 3.02 -0.49 -4.90 115.26 105.34 3dho n ASN 183 Ca -0.03 -0.38 -0.36 0.00 -0.03 0.00 0.00 54.58 53.78 3dho n ASN 183 Cb 0.08 -0.05 -0.02 0.00 -0.61 0.00 0.00 39.78 39.19 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 -2.67 2.90 0.56 3.10 0.51 -0.63 -5.00 118.94 117.72 3dho s TRP 184 Ca 0.22 1.56 -0.20 0.00 -2.12 0.00 0.00 56.10 55.57 3dho s TRP 184 Cb 0.19 -3.26 -0.06 0.00 -0.81 0.00 0.00 33.47 29.53 3dho s TRP 184 CO 0.54 -1.27 0.98 -2.30 -0.51 0.00 0.00 176.95 174.39 3dho n PRO 185 N -0.71 1.02 0.16 4.98 -0.02 -1.26 -4.69 135.00 134.47 3dho n PRO 185 Ca 0.08 0.39 0.04 0.00 -2.02 0.00 0.00 63.50 61.99 3dho n PRO 185 Cb 0.50 -2.16 0.43 0.00 -0.02 0.00 0.00 33.50 32.26 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 0.74 1.16 0.00 4.25 6.09 -1.96 -0.15 117.51 127.64 3dho h ILE 186 Ca -0.48 -0.70 0.00 0.00 -1.37 0.00 0.00 64.86 62.31 3dho h ILE 186 Cb 1.36 1.24 0.00 0.00 0.47 0.00 0.00 36.82 39.88 3dho h ILE 186 CO 0.52 0.21 0.00 -0.90 -3.07 0.00 0.00 178.15 174.92 3dho n ASP 187 N -4.30 0.53 -0.08 2.19 5.75 -1.26 -0.13 116.55 119.25 3dho n ASP 187 Ca -0.01 0.63 -0.21 0.00 -0.01 0.00 0.00 54.79 55.19 3dho n ASP 187 Cb 0.25 -0.74 -0.12 0.00 -1.03 0.00 0.00 41.12 39.48 3dho n ASP 187 CO 0.00 0.00 0.00 0.40 -0.11 0.00 0.00 177.20 177.49 3dho h ILE 188 N 0.00 0.99 -0.71 2.12 2.04 -1.43 -3.39 117.51 117.13 3dho h ILE 188 Ca 0.00 -2.23 0.15 0.00 1.00 0.00 0.00 64.86 63.78 3dho h ILE 188 Cb 0.34 2.41 -0.11 0.00 -0.74 0.00 0.00 36.82 38.72 3dho h ILE 188 CO 0.00 0.42 0.17 0.40 0.00 0.00 0.00 178.15 179.14 3dho h ILE 189 N -0.85 0.54 -1.23 -0.67 2.04 -0.94 -1.60 117.51 114.80 3dho h ILE 189 Ca -0.32 -0.09 0.36 0.00 1.00 0.00 0.00 64.86 65.81 3dho h ILE 189 Cb 1.37 0.24 -0.05 0.00 -0.74 0.00 0.00 36.82 37.65 3dho h ILE 189 CO -0.14 0.05 0.88 -1.13 0.00 0.00 0.00 178.15 177.81 3dho h ASN 190 N 0.27 0.01 0.11 1.72 -1.24 -0.73 0.25 115.58 115.98 3dho h ASN 190 Ca 0.40 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.41 3dho h ASN 190 Cb 0.66 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.71 3dho h ASN 190 CO -0.49 0.00 -0.10 -0.62 -1.29 0.00 0.00 177.43 174.94 3dho n GLU 191 N -4.18 1.23 -0.00 6.67 -0.58 -0.60 -4.25 120.64 118.93 3dho n GLU 191 Ca 0.27 -0.65 0.00 0.00 -0.42 0.00 0.00 57.16 56.35 3dho n GLU 191 Cb 1.28 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 30.66 3dho n GLU 191 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3dho n ASN 192 N -0.32 0.60 -0.30 1.62 3.02 0.83 -4.88 115.26 115.83 3dho n ASN 192 Ca 0.17 -1.30 -0.05 0.00 -0.03 0.00 0.00 54.58 53.36 3dho n ASN 192 Cb 0.33 -0.00 0.07 0.00 -0.61 0.00 0.00 39.78 39.56 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 2.11 1.26 -0.91 2.41 2.04 -1.60 -0.40 117.51 122.41 3dho h ILE 193 Ca 0.00 -0.74 0.02 0.00 1.00 0.00 0.00 64.86 65.14 3dho h ILE 193 Cb 0.85 0.24 -0.05 0.00 -0.74 0.00 0.00 36.82 37.12 3dho h ILE 193 CO 0.00 0.31 0.60 0.44 0.00 0.00 0.00 178.15 179.51 3dho h ASP 194 N 1.16 1.02 0.17 1.72 3.32 -1.90 0.46 116.42 122.38 3dho h ASP 194 Ca 0.28 -0.02 -0.15 0.00 0.02 0.00 0.00 57.03 57.16 3dho h ASP 194 Cb 0.14 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 3dho h ASP 194 CO -0.03 0.72 -0.55 0.11 -1.72 0.00 0.00 179.24 177.77 3dho h LYS 195 N 1.19 0.40 -0.56 3.56 1.57 -1.70 -2.26 116.57 118.77 3dho h LYS 195 Ca 0.35 -0.25 -0.07 0.00 -1.87 0.00 0.00 60.65 58.81 3dho h LYS 195 Cb -0.06 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 3dho h LYS 195 CO -0.09 0.84 0.06 0.82 -0.57 0.00 0.00 179.45 180.51 3dho h ILE 196 N 0.31 1.25 0.00 1.86 2.04 -0.53 -1.36 117.51 121.07 3dho h ILE 196 Ca 0.01 -0.98 -0.07 0.00 1.00 0.00 0.00 64.86 64.81 3dho h ILE 196 Cb 1.06 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 37.88 3dho h ILE 196 CO 0.09 0.36 -0.36 -0.07 0.00 0.00 0.00 178.15 178.18 3dho h LEU 197 N 0.85 0.00 -2.40 1.44 3.38 -0.66 -3.26 115.31 114.66 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 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 3dho h LEU 197 CO 0.01 0.36 0.00 -0.90 0.09 0.00 0.00 178.44 178.00 3dho n ASP 198 N -3.44 2.41 0.00 -0.43 5.68 -0.87 -4.99 116.55 114.91 3dho n ASP 198 Ca 0.00 -1.80 0.00 0.00 -0.50 0.00 0.00 54.79 52.50 3dho n ASP 198 Cb 0.52 -0.12 0.00 0.00 -1.14 0.00 0.00 41.12 40.38 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 0.37 -0.27 0.00 -1.12 4.13 -0.57 -4.86 115.26 112.95 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 0.34 -1.11 0.60 0.00 -1.54 0.00 0.00 39.78 38.06 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 -0.03 0.00 0.01 6.41 3.41 -0.92 -3.14 113.62 119.37 3dho n SER 200 Ca 0.00 -0.12 0.21 0.00 -0.26 0.00 0.00 58.87 58.70 3dho n SER 200 Cb 0.01 -0.26 0.72 0.00 -0.26 0.00 0.00 64.21 64.42 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 0.61 0.00 -1.33 6.09 -1.75 -1.35 117.51 119.79 3dho h ILE 201 Ca 0.00 0.00 -0.03 0.00 -1.37 0.00 0.00 64.86 63.46 3dho h ILE 201 Cb 0.20 0.70 -0.00 0.00 0.47 0.00 0.00 36.82 38.18 3dho h ILE 201 CO 0.00 0.00 -0.17 0.16 -3.07 0.00 0.00 178.15 175.07 3dho h ILE 202 N 0.00 0.47 -0.00 2.19 3.07 -1.86 -3.50 117.51 117.87 3dho h ILE 202 Ca 0.25 -0.88 0.00 0.00 1.55 0.00 0.00 64.86 65.78 3dho h ILE 202 Cb 1.07 1.62 0.00 0.00 -0.27 0.00 0.00 36.82 39.24 3dho h ILE 202 CO -0.00 0.16 0.00 0.54 -1.05 0.00 0.00 178.15 177.80