#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d9o h ALA 3 N 0.00 1.47 -0.22 0.62 0.00 -1.97 -1.19 119.26 117.96 3d9o h ALA 3 Ca 0.00 -0.16 -0.15 0.00 0.00 0.00 0.00 54.91 54.60 3d9o h ALA 3 Cb 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3d9o h ALA 3 CO 0.00 0.39 -0.45 0.28 0.00 0.00 0.00 179.25 179.47 3d9o h VAL 4 N 0.47 1.31 -0.72 0.00 2.07 -1.92 -1.53 116.25 115.94 3d9o h VAL 4 Ca 0.11 -1.67 0.08 0.00 0.82 0.00 0.00 66.70 66.04 3d9o h VAL 4 Cb 0.25 1.82 -0.07 0.00 -1.52 0.00 0.00 31.29 31.77 3d9o h VAL 4 CO 0.00 0.53 0.38 0.11 0.02 0.00 0.00 177.57 178.61 3d9o h LYS 5 N 0.40 0.64 -0.41 1.57 1.57 -1.87 0.48 116.57 118.95 3d9o h LYS 5 Ca 0.01 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.71 3d9o h LYS 5 Cb 1.06 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 33.20 3d9o h LYS 5 CO 0.10 0.43 0.10 1.15 -0.57 0.00 0.00 179.45 180.66 3d9o h THR 6 N 0.66 1.23 0.05 -0.16 2.02 -1.23 -1.98 112.91 113.50 3d9o h THR 6 Ca 0.34 -0.79 0.01 0.00 0.77 0.00 0.00 66.41 66.75 3d9o h THR 6 Cb 0.32 0.96 -0.01 0.00 -1.74 0.00 0.00 68.15 67.68 3d9o h THR 6 CO -0.24 0.27 -0.07 0.15 0.37 0.00 0.00 175.52 176.00 3d9o h PHE 7 N 0.52 -0.18 -0.83 3.16 3.57 -0.55 -2.54 116.94 120.08 3d9o h PHE 7 Ca 0.13 0.00 0.15 0.00 3.53 0.00 0.00 57.97 61.78 3d9o h PHE 7 Cb 0.31 0.08 -0.09 0.00 2.79 0.00 0.00 35.95 39.03 3d9o h PHE 7 CO 0.02 -0.11 0.41 -0.91 -2.23 0.00 0.00 178.31 175.48 3d9o h ASN 8 N -0.15 0.47 -0.34 0.41 2.35 -0.01 -0.85 115.58 117.46 3d9o h ASN 8 Ca 0.01 0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 3d9o h ASN 8 Cb 0.16 0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.54 3d9o h ASN 8 CO -0.04 0.19 0.22 0.28 -1.65 0.00 0.00 177.43 176.43 3d9o h SER 9 N 0.58 0.39 -0.19 5.81 0.02 -1.25 -0.62 113.55 118.29 3d9o h SER 9 Ca 0.46 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.38 3d9o h SER 9 Cb 0.66 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.10 3d9o h SER 9 CO -0.38 0.29 0.07 -0.33 -1.14 0.00 0.00 176.83 175.35 3d9o h GLU 10 N 0.46 0.28 -0.23 3.45 4.39 -0.94 -0.59 114.58 121.41 3d9o h GLU 10 Ca 0.12 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.77 3d9o h GLU 10 Cb -0.05 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.55 3d9o h GLU 10 CO -0.03 0.36 0.14 1.25 -1.16 0.00 0.00 179.01 179.57 3d9o h LEU 11 N 0.15 0.27 -1.23 1.33 5.85 -1.12 -2.49 115.31 118.07 3d9o h LEU 11 Ca 0.06 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 3d9o h LEU 11 Cb 0.18 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.14 3d9o h LEU 11 CO -0.00 0.23 -0.12 1.88 -0.34 0.00 0.00 178.44 180.09 3d9o h TYR 12 N 0.29 0.00 0.00 1.25 0.05 -1.05 -2.58 116.97 114.92 3d9o h TYR 12 Ca 0.08 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.86 3d9o h TYR 12 Cb 0.01 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.75 3d9o h TYR 12 CO -0.05 0.12 0.00 -1.13 -1.05 0.00 0.00 178.16 176.05 3d9o n SER 13 N -3.26 0.41 -2.14 3.88 3.41 -0.23 -4.28 113.62 111.41 3d9o n SER 13 Ca 0.00 0.67 0.00 0.00 -0.26 0.00 0.00 58.87 59.29 3d9o n SER 13 Cb 0.38 -0.73 0.00 0.00 -0.26 0.00 0.00 64.21 63.59 3d9o n SER 13 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3d9o n LEU 14 N -2.03 0.00 -2.91 1.04 4.77 -0.98 -5.07 117.00 111.82 3d9o n LEU 14 Ca -0.00 -0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.78 3d9o n LEU 14 Cb 0.05 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.11 3d9o n LEU 14 CO 0.08 -0.00 -0.07 0.47 -1.33 0.00 0.00 177.39 176.54 3d9o n ASP 16 N 1.73 -0.89 -4.12 -1.43 8.00 -1.26 -4.92 116.55 113.66 3d9o n ASP 16 Ca 0.00 -0.56 -0.30 0.00 0.71 0.00 0.00 54.79 54.64 3d9o n ASP 16 Cb 0.00 -0.78 -0.17 0.00 -0.02 0.00 0.00 41.12 40.15 3d9o n ASP 16 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3d9o s LYS 18 N -4.01 2.57 0.60 -1.24 2.20 -1.26 -5.27 119.74 113.33 3d9o s LYS 18 Ca 0.39 -0.70 -0.20 0.00 -0.36 0.00 0.00 55.97 55.10 3d9o s LYS 18 Cb -0.23 -2.07 -0.03 0.00 -1.51 0.00 0.00 37.83 33.99 3d9o s LYS 18 CO 0.48 0.03 1.31 -2.14 -0.36 0.00 0.00 175.35 174.67 3d9o s PRO 19 N 0.73 2.84 0.35 4.03 0.02 -1.26 -4.53 135.00 137.17 3d9o s PRO 19 Ca -0.11 2.12 -0.26 0.00 0.02 0.00 0.00 61.00 62.77 3d9o s PRO 19 Cb -0.16 -2.03 -0.09 0.00 0.02 0.00 0.00 34.50 32.24 3d9o s PRO 19 CO 0.02 -1.39 1.01 -1.25 -0.33 0.00 0.00 177.00 175.06 3d9o s PRO 20 N -3.17 4.41 0.20 5.54 0.04 -1.26 -5.15 135.00 135.61 3d9o s PRO 20 Ca 0.77 1.47 -0.30 0.00 0.04 0.00 0.00 61.00 62.99 3d9o s PRO 20 Cb -0.38 -2.74 -0.08 0.00 0.04 0.00 0.00 34.50 31.34 3d9o s PRO 20 CO 0.42 0.09 1.02 0.42 0.04 0.00 0.00 177.00 179.00 3d9o s ILE 21 N -1.57 3.98 0.63 0.56 -1.09 -1.26 -5.03 121.20 117.42 3d9o s ILE 21 Ca 0.53 1.83 -0.16 0.00 -2.23 0.00 0.00 60.65 60.62 3d9o s ILE 21 Cb -0.22 -4.17 -0.02 0.00 -1.58 0.00 0.00 42.46 36.48 3d9o s ILE 21 CO 0.28 0.37 1.10 -0.94 -1.23 0.00 0.00 174.94 174.52 3d9o s SER 22 N -0.57 5.34 0.26 3.58 1.04 -1.26 -4.95 113.70 117.14 3d9o s SER 22 Ca 0.45 1.98 -0.02 0.00 0.48 0.00 0.00 55.95 58.84 3d9o s SER 22 Cb -0.28 -2.55 0.47 0.00 0.10 0.00 0.00 66.02 63.77 3d9o s SER 22 CO 0.34 -1.47 1.81 0.11 0.98 0.00 0.00 173.24 175.01 3d9o h LYS 23 N 0.27 0.83 -0.55 4.02 1.57 -2.05 -2.91 116.57 117.73 3d9o h LYS 23 Ca -0.47 -0.05 0.02 0.00 -1.87 0.00 0.00 60.65 58.28 3d9o h LYS 23 Cb 1.24 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 33.33 3d9o h LYS 23 CO 0.55 0.55 0.35 0.00 -0.57 0.00 0.00 179.45 180.32 3d9o h ALA 24 N 1.50 0.71 0.00 3.86 0.00 -2.04 0.11 119.26 123.40 3d9o h ALA 24 Ca 0.44 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.33 3d9o h ALA 24 Cb 0.45 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3d9o h ALA 24 CO -0.27 0.09 0.00 1.17 0.00 0.00 0.00 179.25 180.24 3d9o n LYS 25 N -4.74 0.46 0.00 0.00 3.00 -1.10 -1.95 118.16 113.83 3d9o n LYS 25 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.35 3d9o n LYS 25 Cb 0.05 -1.26 0.00 0.00 0.00 0.00 0.00 35.03 33.82 3d9o n LYS 25 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 3d9o n THR 27 N 0.69 0.00 -0.17 3.15 -1.04 0.38 -1.63 114.28 115.65 3d9o n THR 27 Ca 0.00 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 61.99 3d9o n THR 27 Cb 0.21 0.00 0.08 0.00 -1.82 0.00 0.00 70.33 68.80 3d9o n THR 27 CO 0.00 0.00 0.00 1.56 -0.64 0.00 0.00 175.07 175.99 3d9o h GLN 28 N 0.00 0.31 -0.35 -2.82 4.20 -1.64 0.33 115.11 115.13 3d9o h GLN 28 Ca 0.00 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.66 3d9o h GLN 28 Cb 0.00 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 3d9o h GLN 28 CO 0.00 0.21 0.10 0.82 -0.67 0.00 0.00 178.83 179.28 3d9o h ILE 29 N 0.32 1.22 -0.30 2.54 2.04 -1.60 -2.09 117.51 119.63 3d9o h ILE 29 Ca 0.26 -0.73 -0.02 0.00 1.00 0.00 0.00 64.86 65.37 3d9o h ILE 29 Cb 0.32 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.41 3d9o h ILE 29 CO -0.29 0.25 0.12 0.74 0.00 0.00 0.00 178.15 178.96 3d9o h THR 30 N 0.42 1.18 -0.80 -0.27 2.02 -1.70 -0.69 112.91 113.08 3d9o h THR 30 Ca 0.11 -0.56 0.04 0.00 0.77 0.00 0.00 66.41 66.77 3d9o h THR 30 Cb 0.28 0.98 -0.05 0.00 -1.74 0.00 0.00 68.15 67.63 3d9o h THR 30 CO -0.00 0.19 0.50 0.11 0.37 0.00 0.00 175.52 176.69 3d9o h LYS 31 N 0.34 0.94 -0.45 6.66 1.57 -0.32 -1.18 116.57 124.13 3d9o h LYS 31 Ca 0.10 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 3d9o h LYS 31 Cb 0.19 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 3d9o h LYS 31 CO -0.01 0.62 0.24 0.00 -0.57 0.00 0.00 179.45 179.74 3d9o h ALA 32 N 1.34 0.58 -0.46 3.86 0.00 -1.09 -1.97 119.26 121.52 3d9o h ALA 32 Ca 0.32 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3d9o h ALA 32 Cb 0.04 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3d9o h ALA 32 CO -0.12 0.11 0.30 0.00 0.00 0.00 0.00 179.25 179.53 3d9o h ALA 33 N 1.09 0.58 -0.62 0.00 0.00 -0.61 -2.29 119.26 117.41 3d9o h ALA 33 Ca 0.16 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 3d9o h ALA 33 Cb 0.06 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 3d9o h ALA 33 CO -0.02 0.04 0.29 0.82 0.00 0.00 0.00 179.25 180.38 3d9o h ILE 34 N 0.62 1.22 0.00 0.00 1.08 -1.17 -2.30 117.51 116.97 3d9o h ILE 34 Ca 0.17 -0.64 -0.03 0.00 -0.39 0.00 0.00 64.86 63.98 3d9o h ILE 34 Cb -0.06 0.49 -0.00 0.00 -3.07 0.00 0.00 36.82 34.17 3d9o h ILE 34 CO -0.04 0.26 -0.12 0.11 -0.69 0.00 0.00 178.15 177.67 3d9o h LYS 35 N 0.86 0.00 -0.74 2.37 1.57 -1.22 -2.18 116.57 117.24 3d9o h LYS 35 Ca 0.21 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 3d9o h LYS 35 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.45 3d9o h LYS 35 CO -0.02 0.12 0.00 0.00 -0.57 0.00 0.00 179.45 178.98 3d9o n ALA 36 N -2.35 3.36 0.18 3.86 0.00 -0.87 -4.65 120.51 120.04 3d9o n ALA 36 Ca -0.02 -1.19 0.13 0.00 0.00 0.00 0.00 53.44 52.36 3d9o n ALA 36 Cb 0.22 -1.08 0.70 0.00 0.00 0.00 0.00 19.45 19.29 3d9o n ALA 36 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 3d9o h ILE 37 N 2.50 0.81 -0.82 0.00 2.10 -1.28 0.12 117.51 120.94 3d9o h ILE 37 Ca 0.00 0.00 0.15 0.00 1.08 0.00 0.00 64.86 66.09 3d9o h ILE 37 Cb 1.41 0.90 -0.06 0.00 -1.09 0.00 0.00 36.82 37.99 3d9o h ILE 37 CO 0.30 0.00 0.54 0.50 -1.08 0.00 0.00 178.15 178.41 3d9o h LYS 38 N 0.00 0.53 -1.47 2.19 3.64 -1.86 -2.05 116.57 117.55 3d9o h LYS 38 Ca 0.08 -0.03 -0.64 0.00 -1.27 0.00 0.00 60.65 58.79 3d9o h LYS 38 Cb 0.35 -0.12 -0.37 0.00 -0.41 0.00 0.00 32.23 31.68 3d9o h LYS 38 CO -0.00 0.35 -0.13 1.19 -2.27 0.00 0.00 179.45 178.59 3d9o n PHE 39 N -4.52 3.18 0.02 1.91 3.72 0.43 -4.79 117.46 117.41 3d9o n PHE 39 Ca 0.16 -2.76 0.14 0.00 -0.05 0.00 0.00 57.45 54.94 3d9o n PHE 39 Cb 0.50 -0.53 0.60 0.00 -0.94 0.00 0.00 39.48 39.11 3d9o n PHE 39 CO 0.00 0.00 0.00 0.10 -0.05 0.00 0.00 176.76 176.81 3d9o h TYR 40 N 2.57 0.18 -0.47 1.38 -0.00 -1.34 -1.77 116.97 117.51 3d9o h TYR 40 Ca 0.41 0.00 -0.05 0.00 0.00 0.00 0.00 58.73 59.10 3d9o h TYR 40 Cb 0.78 -0.06 -0.02 0.00 0.00 0.00 0.00 36.73 37.43 3d9o h TYR 40 CO 0.97 0.09 0.11 0.87 -0.00 0.00 0.00 178.16 180.20 3d9o h LYS 41 N 0.17 0.75 -0.30 0.10 1.57 -1.87 -1.19 116.57 115.81 3d9o h LYS 41 Ca 0.21 -0.18 -0.10 0.00 -1.87 0.00 0.00 60.65 58.70 3d9o h LYS 41 Cb 0.60 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 3d9o h LYS 41 CO -0.03 0.74 -0.23 0.45 -0.57 0.00 0.00 179.45 179.81 3d9o h HIS 42 N 0.63 0.64 -0.11 -1.35 3.86 -1.74 -1.52 115.15 115.56 3d9o h HIS 42 Ca 0.15 -0.13 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 3d9o h HIS 42 Cb 0.33 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 28.64 3d9o h HIS 42 CO 0.02 0.75 0.07 0.28 0.86 0.00 0.00 177.93 179.91 3d9o h VAL 43 N 0.51 1.05 -0.45 2.45 2.07 -1.21 -0.62 116.25 120.04 3d9o h VAL 43 Ca 0.08 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.48 3d9o h VAL 43 Cb 0.67 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 3d9o h VAL 43 CO 0.05 0.04 0.29 0.58 0.02 0.00 0.00 177.57 178.55 3d9o h VAL 44 N 0.12 1.13 -0.78 2.57 2.07 -1.08 -1.61 116.25 118.67 3d9o h VAL 44 Ca 0.04 -0.26 -0.04 0.00 0.82 0.00 0.00 66.70 67.26 3d9o h VAL 44 Cb 0.01 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 30.24 3d9o h VAL 44 CO -0.01 0.13 0.33 -0.61 0.02 0.00 0.00 177.57 177.43 3d9o h GLN 45 N 0.61 1.16 -0.73 1.57 5.75 -1.13 -0.61 115.11 121.73 3d9o h GLN 45 Ca 0.17 -0.20 -0.06 0.00 -0.15 0.00 0.00 58.65 58.41 3d9o h GLN 45 Cb -0.04 -0.20 -0.03 0.00 1.07 0.00 0.00 27.48 28.28 3d9o h GLN 45 CO -0.03 0.92 0.21 0.77 -2.65 0.00 0.00 178.83 178.05 3d9o h SER 46 N 1.13 1.07 -0.13 -0.69 0.02 -0.82 0.12 113.55 114.26 3d9o h SER 46 Ca 0.26 -0.21 -0.04 0.00 -0.84 0.00 0.00 61.79 60.96 3d9o h SER 46 Cb 0.19 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 62.44 3d9o h SER 46 CO -0.03 1.01 -0.09 0.58 -1.14 0.00 0.00 176.83 177.16 3d9o h VAL 47 N 1.09 1.33 -0.92 2.27 2.07 -0.99 -1.12 116.25 119.99 3d9o h VAL 47 Ca 0.23 -1.18 0.01 0.00 0.82 0.00 0.00 66.70 66.58 3d9o h VAL 47 Cb 0.33 1.84 -0.05 0.00 -1.52 0.00 0.00 31.29 31.90 3d9o h VAL 47 CO -0.00 0.34 0.61 -0.33 0.02 0.00 0.00 177.57 178.20 3d9o h GLU 48 N -0.08 1.21 -0.36 1.57 5.08 -1.04 -1.18 114.58 119.78 3d9o h GLU 48 Ca 0.02 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 3d9o h GLU 48 Cb 0.58 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 3d9o h GLU 48 CO 0.02 0.80 0.13 -0.22 -1.00 0.00 0.00 179.01 178.75 3d9o h LYS 49 N 1.25 0.54 -0.47 2.33 3.64 -0.71 -0.80 116.57 122.35 3d9o h LYS 49 Ca 0.34 -0.10 0.08 0.00 -1.27 0.00 0.00 60.65 59.69 3d9o h LYS 49 Cb -0.14 -0.09 -0.07 0.00 -0.41 0.00 0.00 32.23 31.53 3d9o h LYS 49 CO -0.07 0.54 0.09 0.35 -2.27 0.00 0.00 179.45 178.09 3d9o h PHE 50 N 0.43 0.14 -0.41 1.91 3.57 -0.87 -1.26 116.94 120.45 3d9o h PHE 50 Ca 0.12 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.58 3d9o h PHE 50 Cb 0.21 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.94 3d9o h PHE 50 CO 0.00 -0.01 -0.04 0.82 -2.23 0.00 0.00 178.31 176.85 3d9o h ILE 51 N 0.22 1.24 -0.61 1.41 2.04 -0.99 -0.30 117.51 120.52 3d9o h ILE 51 Ca 0.23 -1.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.00 3d9o h ILE 51 Cb 0.31 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 37.34 3d9o h ILE 51 CO -0.31 0.34 0.02 -0.61 0.00 0.00 0.00 178.15 177.59 3d9o h GLN 52 N 0.63 1.07 0.00 2.37 4.15 -0.65 -3.37 115.11 119.31 3d9o h GLN 52 Ca 0.12 -0.33 -0.17 0.00 0.77 0.00 0.00 58.65 59.04 3d9o h GLN 52 Cb 0.46 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 28.02 3d9o h GLN 52 CO 0.02 1.03 -2.01 1.63 -1.93 0.00 0.00 178.83 177.57 3d9o n LYS 53 N -4.20 0.66 -1.31 1.69 4.76 -0.52 -5.01 118.16 114.23 3d9o n LYS 53 Ca 0.03 -0.05 -0.30 0.00 -2.87 0.00 0.00 58.31 55.12 3d9o n LYS 53 Cb 0.34 -1.58 0.10 0.00 -1.84 0.00 0.00 35.03 32.05 3d9o n LYS 53 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3d9o s LYS 55 N -4.96 2.47 0.34 0.00 -0.14 -1.26 -4.90 119.74 111.28 3d9o s LYS 55 Ca 0.62 1.69 0.14 0.00 -1.36 0.00 0.00 55.97 57.06 3d9o s LYS 55 Cb -0.17 -1.88 1.09 0.00 -1.68 0.00 0.00 37.83 35.19 3d9o s LYS 55 CO 0.56 -1.57 1.66 -1.35 -0.76 0.00 0.00 175.35 173.89 3d9o h PRO 56 N 0.03 0.31 0.00 -1.68 0.11 -1.95 0.13 132.00 128.95 3d9o h PRO 56 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3d9o h PRO 56 Cb 1.29 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3d9o h PRO 56 CO 0.52 0.21 0.00 1.05 -0.21 0.00 0.00 178.00 179.56 3d9o h GLU 57 N 0.32 0.00 -0.21 1.05 9.09 -1.92 -2.72 114.58 120.19 3d9o h GLU 57 Ca 0.73 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.14 3d9o h GLU 57 Cb 1.68 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.78 3d9o h GLU 57 CO -0.61 0.00 0.00 0.66 0.05 0.00 0.00 179.01 179.11 3d9o n TYR 58 N -2.45 0.25 0.11 2.06 4.01 0.03 -4.50 117.16 116.67 3d9o n TYR 58 Ca 0.00 -0.14 -0.13 0.00 -0.16 0.00 0.00 57.90 57.48 3d9o n TYR 58 Cb 0.17 -0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.13 3d9o n TYR 58 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 3d9o h LYS 59 N 4.35 -0.20 -0.36 -0.72 1.79 -1.54 -0.58 116.57 119.30 3d9o h LYS 59 Ca 0.00 0.01 -0.05 0.00 -2.18 0.00 0.00 60.65 58.43 3d9o h LYS 59 Cb 0.95 0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 31.63 3d9o h LYS 59 CO 0.00 -0.08 0.03 0.28 -1.08 0.00 0.00 179.45 178.60 3d9o h VAL 60 N -0.27 1.25 -0.80 0.50 2.07 -1.80 -1.37 116.25 115.83 3d9o h VAL 60 Ca -0.02 -0.91 0.19 0.00 0.82 0.00 0.00 66.70 66.77 3d9o h VAL 60 Cb 0.21 1.15 -0.12 0.00 -1.52 0.00 0.00 31.29 31.01 3d9o h VAL 60 CO 0.04 0.31 0.21 -0.65 0.02 0.00 0.00 177.57 177.49 3d9o h PRO 61 N 0.44 0.25 -0.68 1.57 0.11 -1.79 0.20 132.00 132.10 3d9o h PRO 61 Ca 0.10 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 66.23 3d9o h PRO 61 Cb 0.41 -0.06 -0.04 0.00 0.11 0.00 0.00 31.00 31.42 3d9o h PRO 61 CO 0.01 0.17 0.42 0.78 -0.21 0.00 0.00 178.00 179.17 3d9o h GLY 62 N 0.26 0.98 1.10 -0.55 0.00 -0.44 -1.04 103.07 103.38 3d9o h GLY 62 Ca 0.47 -0.32 -0.09 0.00 0.00 0.00 0.00 47.33 47.40 3d9o h GLY 62 CO -0.56 0.26 0.06 -2.00 0.00 0.00 0.00 176.54 174.30 3d9o h LEU 63 N 0.82 1.05 -1.16 3.11 5.85 -0.53 -2.74 115.31 121.71 3d9o h LEU 63 Ca 0.27 -0.27 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 3d9o h LEU 63 Cb 0.03 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.74 3d9o h LEU 63 CO -0.11 1.07 0.42 1.88 -0.34 0.00 0.00 178.44 181.36 3d9o h TYR 64 N 1.01 0.97 -0.26 1.25 0.05 -0.12 -0.77 116.97 119.09 3d9o h TYR 64 Ca 0.19 -0.01 0.05 0.00 0.05 0.00 0.00 58.73 59.01 3d9o h TYR 64 Cb 0.50 -0.32 -0.05 0.00 1.01 0.00 0.00 36.73 37.87 3d9o h TYR 64 CO 0.04 0.66 -0.06 0.28 -1.05 0.00 0.00 178.16 178.02 3d9o h VAL 65 N 1.01 0.74 -0.21 -2.88 2.07 -0.96 0.29 116.25 116.32 3d9o h VAL 65 Ca 0.26 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.78 3d9o h VAL 65 Cb -0.01 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 3d9o h VAL 65 CO -0.05 0.00 0.14 0.40 0.02 0.00 0.00 177.57 178.08 3d9o h ILE 66 N 0.00 1.06 -0.28 4.57 2.04 -1.15 0.09 117.51 123.84 3d9o h ILE 66 Ca 0.12 -0.11 0.04 0.00 1.00 0.00 0.00 64.86 65.91 3d9o h ILE 66 Cb 0.19 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 36.99 3d9o h ILE 66 CO -0.27 0.05 0.07 -0.78 0.00 0.00 0.00 178.15 177.23 3d9o h ASP 67 N 0.28 0.04 -0.29 1.72 3.58 -0.92 -0.27 116.42 120.56 3d9o h ASP 67 Ca 0.08 0.04 -0.07 0.00 0.42 0.00 0.00 57.03 57.49 3d9o h ASP 67 Cb -0.03 0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.06 3d9o h ASP 67 CO -0.02 0.06 -0.10 -1.28 -2.88 0.00 0.00 179.24 175.02 3d9o h SER 68 N 0.18 0.59 -0.02 2.28 0.87 -0.16 -1.82 113.55 115.47 3d9o h SER 68 Ca 0.13 -0.38 -0.00 0.00 -1.23 0.00 0.00 61.79 60.30 3d9o h SER 68 Cb 0.12 -0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 61.92 3d9o h SER 68 CO -0.16 0.84 0.01 0.40 -0.53 0.00 0.00 176.83 177.40 3d9o h ILE 69 N 0.34 1.07 -0.40 2.23 2.04 -0.88 -1.67 117.51 120.24 3d9o h ILE 69 Ca 0.07 -0.20 -0.02 0.00 1.00 0.00 0.00 64.86 65.72 3d9o h ILE 69 Cb 0.60 1.16 -0.02 0.00 -0.74 0.00 0.00 36.82 37.82 3d9o h ILE 69 CO 0.03 0.05 0.19 0.58 0.00 0.00 0.00 178.15 179.01 3d9o h VAL 70 N -0.05 1.17 -0.23 1.67 2.07 -1.01 -0.67 116.25 119.21 3d9o h VAL 70 Ca 0.01 -0.50 -0.15 0.00 0.82 0.00 0.00 66.70 66.88 3d9o h VAL 70 Cb 0.08 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 3d9o h VAL 70 CO -0.00 0.19 -0.47 0.03 0.02 0.00 0.00 177.57 177.33 3d9o h ARG 71 N 0.51 0.62 -0.45 1.57 3.08 -1.32 -1.07 114.38 117.32 3d9o h ARG 71 Ca 0.14 -0.35 -0.05 0.00 0.07 0.00 0.00 59.98 59.78 3d9o h ARG 71 Cb 0.12 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 3d9o h ARG 71 CO -0.02 0.96 0.07 0.37 -1.07 0.00 0.00 179.97 180.28 3d9o h GLN 72 N 0.49 0.74 -0.56 0.04 5.75 -1.12 -1.63 115.11 118.82 3d9o h GLN 72 Ca 0.03 -0.20 -0.03 0.00 -0.15 0.00 0.00 58.65 58.30 3d9o h GLN 72 Cb 1.01 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 29.45 3d9o h GLN 72 CO 0.09 0.76 0.24 1.03 -2.65 0.00 0.00 178.83 178.30 3d9o h SER 73 N 0.60 0.76 -0.96 -0.69 0.87 -0.96 0.60 113.55 113.77 3d9o h SER 73 Ca 0.14 -0.16 0.01 0.00 -1.23 0.00 0.00 61.79 60.54 3d9o h SER 73 Cb 0.39 -0.20 -0.05 0.00 -0.44 0.00 0.00 62.40 62.10 3d9o h SER 73 CO 0.01 0.71 0.62 0.03 -0.53 0.00 0.00 176.83 177.67 3d9o h ARG 74 N 0.76 1.27 -0.33 2.24 3.08 -1.15 0.60 114.38 120.85 3d9o h ARG 74 Ca 0.19 -0.09 -0.10 0.00 0.07 0.00 0.00 59.98 60.05 3d9o h ARG 74 Cb 0.18 -0.28 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 3d9o h ARG 74 CO -0.02 0.85 -0.19 1.25 -1.07 0.00 0.00 179.97 180.80 3d9o h HIS 75 N 1.31 0.82 0.11 3.04 2.76 -0.95 -1.25 115.15 120.99 3d9o h HIS 75 Ca 0.35 -0.21 -0.29 0.00 -2.20 0.00 0.00 60.37 58.02 3d9o h HIS 75 Cb -0.13 -0.19 -0.01 0.00 1.55 0.00 0.00 27.41 28.64 3d9o h HIS 75 CO -0.00 0.93 -1.43 0.37 -1.30 0.00 0.00 177.93 176.50 3d9o h GLN 76 N 0.48 0.24 0.00 5.26 4.15 -0.67 -3.37 115.11 121.20 3d9o h GLN 76 Ca 0.07 -0.41 0.00 0.00 0.77 0.00 0.00 58.65 59.08 3d9o h GLN 76 Cb 0.73 0.15 0.00 0.00 0.21 0.00 0.00 27.48 28.57 3d9o h GLN 76 CO 0.05 1.12 -0.67 1.19 -1.93 0.00 0.00 178.83 178.59 3d9o n PHE 77 N -3.46 0.00 0.00 3.99 3.72 0.18 -5.08 117.46 116.82 3d9o n PHE 77 Ca -0.13 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.27 3d9o n PHE 77 Cb 1.03 -0.04 0.00 0.00 -0.94 0.00 0.00 39.48 39.53 3d9o n PHE 77 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3d9o n GLY 78 N 1.36 2.42 0.34 1.37 0.00 -0.49 -4.50 105.19 105.70 3d9o n GLY 78 Ca 0.01 -1.58 -0.00 0.00 0.00 0.00 0.00 46.02 44.45 3d9o n GLY 78 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3d9o h GLN 79 N 0.00 1.09 0.00 1.61 4.20 -1.82 -1.40 115.11 118.78 3d9o h GLN 79 Ca 0.00 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.64 3d9o h GLN 79 Cb 0.00 -0.24 0.00 0.00 0.30 0.00 0.00 27.48 27.54 3d9o h GLN 79 CO 0.00 0.72 -0.13 0.93 -0.67 0.00 0.00 178.83 179.68 3d9o h GLU 80 N 1.12 0.00 0.00 1.46 4.39 -1.90 -3.28 114.58 116.37 3d9o h GLU 80 Ca 0.37 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.07 3d9o h GLU 80 Cb 0.05 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.70 3d9o h GLU 80 CO -0.14 0.00 -1.19 1.63 -1.16 0.00 0.00 179.01 178.15 3d9o n LYS 81 N -2.31 0.42 -1.66 2.33 4.76 -0.78 -4.95 118.16 115.97 3d9o n LYS 81 Ca 0.05 -0.01 -0.49 0.00 -2.87 0.00 0.00 58.31 54.99 3d9o n LYS 81 Cb 0.44 -1.63 -0.05 0.00 -1.84 0.00 0.00 35.03 31.95 3d9o n LYS 81 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 3d9o n ASP 82 N -2.17 2.85 0.11 4.39 2.03 -0.60 -4.89 116.55 118.27 3d9o n ASP 82 Ca 0.00 1.05 0.12 0.00 0.52 0.00 0.00 54.79 56.48 3d9o n ASP 82 Cb 0.48 -1.33 0.02 0.00 -0.72 0.00 0.00 41.12 39.58 3d9o n ASP 82 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 3d9o h VAL 83 N 4.38 0.00 0.08 5.18 -1.51 -1.92 -3.41 116.25 119.05 3d9o h VAL 83 Ca -0.47 -0.96 -0.00 0.00 -1.23 0.00 0.00 66.70 64.04 3d9o h VAL 83 Cb 1.28 1.49 0.00 0.00 -2.13 0.00 0.00 31.29 31.94 3d9o h VAL 83 CO 0.90 0.00 -0.04 -0.26 -1.23 0.00 0.00 177.57 176.94 3d9o h PHE 84 N 0.00 -0.11 -0.22 5.19 0.04 -1.94 -2.85 116.94 117.05 3d9o h PHE 84 Ca 0.00 -0.00 0.06 0.00 2.80 0.00 0.00 57.97 60.82 3d9o h PHE 84 Cb 0.98 0.03 -0.06 0.00 2.20 0.00 0.00 35.95 39.11 3d9o h PHE 84 CO 0.00 0.44 -0.16 0.00 -0.60 0.00 0.00 178.31 177.99 3d9o h ALA 85 N -0.09 -0.01 -0.90 2.45 0.00 -1.89 0.16 119.26 118.98 3d9o h ALA 85 Ca -0.01 0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.04 3d9o h ALA 85 Cb 0.59 0.35 -0.06 0.00 0.00 0.00 0.00 17.79 18.68 3d9o h ALA 85 CO 0.02 -0.58 0.59 -1.35 0.00 0.00 0.00 179.25 177.92 3d9o h PRO 86 N -0.16 1.00 -0.10 0.00 0.11 -1.80 -1.04 132.00 130.01 3d9o h PRO 86 Ca 0.13 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 66.12 3d9o h PRO 86 Cb 0.35 -0.22 -0.00 0.00 0.11 0.00 0.00 31.00 31.23 3d9o h PRO 86 CO -0.32 0.66 -0.17 -0.09 -0.21 0.00 0.00 178.00 177.88 3d9o h ARG 87 N 1.03 0.28 -0.15 1.05 9.65 -1.17 -3.02 114.38 122.05 3d9o h ARG 87 Ca 0.39 -0.18 0.04 0.00 -1.10 0.00 0.00 59.98 59.13 3d9o h ARG 87 Cb 0.19 0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.78 3d9o h ARG 87 CO -0.14 0.76 0.13 0.74 2.80 0.00 0.00 179.97 184.26 3d9o h PHE 88 N -0.16 0.00 0.00 2.20 0.04 -0.51 -2.50 116.94 116.01 3d9o h PHE 88 Ca 0.01 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.71 3d9o h PHE 88 Cb 0.74 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.88 3d9o h PHE 88 CO 0.10 0.00 -0.30 0.77 -0.60 0.00 0.00 178.31 178.28 3d9o h SER 89 N 0.00 0.00 0.09 2.17 0.02 -1.06 -3.12 113.55 111.65 3d9o h SER 89 Ca 0.07 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 61.04 3d9o h SER 89 Cb 0.34 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.84 3d9o h SER 89 CO -0.00 0.30 -0.28 0.78 -1.14 0.00 0.00 176.83 176.49 3d9o h ASN 90 N 0.00 -0.81 -0.57 3.07 2.35 -1.48 -2.98 115.58 115.16 3d9o h ASN 90 Ca -0.00 0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 3d9o h ASN 90 Cb 0.72 0.31 0.00 0.00 0.05 0.00 0.00 38.32 39.40 3d9o h ASN 90 CO 0.04 -0.36 0.00 0.59 -1.65 0.00 0.00 177.43 176.04 3d9o n ASN 91 N -5.39 5.54 -0.05 5.81 3.02 -1.24 -4.75 115.26 118.21 3d9o n ASN 91 Ca -0.06 -2.87 0.03 0.00 -0.03 0.00 0.00 54.58 51.65 3d9o n ASN 91 Cb 0.30 -0.67 0.37 0.00 -0.61 0.00 0.00 39.78 39.18 3d9o n ASN 91 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 3d9o h ILE 92 N 3.93 1.14 -0.17 2.41 2.10 -1.45 -1.48 117.51 123.98 3d9o h ILE 92 Ca 0.00 -0.30 0.02 0.00 1.08 0.00 0.00 64.86 65.66 3d9o h ILE 92 Cb 1.89 0.47 -0.02 0.00 -1.09 0.00 0.00 36.82 38.07 3d9o h ILE 92 CO 0.45 0.14 0.05 0.40 -1.08 0.00 0.00 178.15 178.11 3d9o h ILE 93 N 0.65 0.95 -0.52 2.19 1.08 -1.85 -0.84 117.51 119.17 3d9o h ILE 93 Ca 0.17 -0.05 -0.09 0.00 -0.39 0.00 0.00 64.86 64.50 3d9o h ILE 93 Cb -0.03 0.80 -0.02 0.00 -3.07 0.00 0.00 36.82 34.51 3d9o h ILE 93 CO -0.03 0.02 -0.05 0.77 -0.69 0.00 0.00 178.15 178.17 3d9o h SER 94 N 0.13 0.89 -0.41 1.72 4.64 -1.75 -1.06 113.55 117.71 3d9o h SER 94 Ca 0.08 -0.25 0.03 0.00 -0.47 0.00 0.00 61.79 61.18 3d9o h SER 94 Cb 0.05 -0.24 -0.04 0.00 -0.31 0.00 0.00 62.40 61.87 3d9o h SER 94 CO -0.08 0.98 0.20 0.74 -0.87 0.00 0.00 176.83 177.79 3d9o h THR 95 N 0.83 0.97 -0.00 2.95 2.02 -1.08 -2.26 112.91 116.33 3d9o h THR 95 Ca 0.15 -0.14 -0.18 0.00 0.77 0.00 0.00 66.41 67.01 3d9o h THR 95 Cb 0.56 0.52 -0.02 0.00 -1.74 0.00 0.00 68.15 67.47 3d9o h THR 95 CO 0.03 0.07 -0.81 -0.26 0.37 0.00 0.00 175.52 174.93 3d9o h PHE 96 N 0.41 0.14 -0.83 3.16 0.04 -0.97 -0.37 116.94 118.52 3d9o h PHE 96 Ca 0.18 -0.08 0.11 0.00 2.80 0.00 0.00 57.97 60.99 3d9o h PHE 96 Cb 0.09 -0.02 -0.08 0.00 2.20 0.00 0.00 35.95 38.14 3d9o h PHE 96 CO -0.10 0.86 0.46 1.96 -0.60 0.00 0.00 178.31 180.89 3d9o h GLN 97 N 0.06 0.71 -0.19 1.51 4.20 -1.03 -0.27 115.11 120.09 3d9o h GLN 97 Ca -0.02 -0.04 -0.16 0.00 0.06 0.00 0.00 58.65 58.49 3d9o h GLN 97 Cb 1.41 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 29.04 3d9o h GLN 97 CO 0.11 0.47 -0.50 -0.91 -0.67 0.00 0.00 178.83 177.33 3d9o h ASN 98 N 0.73 0.77 -0.63 1.46 2.35 -1.05 -3.24 115.58 115.97 3d9o h ASN 98 Ca 0.42 -0.57 -0.01 0.00 -0.55 0.00 0.00 56.30 55.58 3d9o h ASN 98 Cb 0.47 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.59 3d9o h ASN 98 CO -0.29 1.21 0.35 -0.07 -1.65 0.00 0.00 177.43 176.97 3d9o h LEU 99 N 0.37 0.80 0.00 1.61 3.38 -0.65 -2.40 115.31 118.42 3d9o h LEU 99 Ca -0.01 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3d9o h LEU 99 Cb 1.11 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.66 3d9o h LEU 99 CO 0.11 0.66 0.00 -1.22 0.09 0.00 0.00 178.44 178.07 3d9o n TYR 100 N -4.37 0.00 -0.72 1.13 4.01 -0.15 -2.10 117.16 114.97 3d9o n TYR 100 Ca 0.06 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.64 3d9o n TYR 100 Cb 0.10 0.00 0.16 0.00 -0.31 0.00 0.00 39.34 39.30 3d9o n TYR 100 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3d9o n ARG 101 N -0.89 2.22 -1.96 -0.72 1.74 -0.90 -4.94 116.66 111.21 3d9o n ARG 101 Ca 0.13 -2.37 -0.29 0.00 -0.77 0.00 0.00 57.85 54.55 3d9o n ARG 101 Cb 0.06 -1.95 0.08 0.00 -1.02 0.00 0.00 32.46 29.63 3d9o n ARG 101 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3d9o s PRO 103 N -5.47 1.93 0.28 0.00 0.02 -1.26 -4.90 135.00 125.59 3d9o s PRO 103 Ca 0.61 1.76 0.02 0.00 0.02 0.00 0.00 61.00 63.41 3d9o s PRO 103 Cb -0.11 -1.81 0.68 0.00 0.02 0.00 0.00 34.50 33.28 3d9o s PRO 103 CO 0.49 -2.00 1.68 0.78 -0.33 0.00 0.00 177.00 177.61 3d9o h GLY 104 N -0.55 1.39 1.44 0.52 0.00 -1.96 -1.11 103.07 102.80 3d9o h GLY 104 Ca -0.47 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 46.76 3d9o h GLY 104 CO 0.48 -0.29 0.00 2.09 0.00 0.00 0.00 176.54 178.82 3d9o n ASP 105 N -5.13 0.00 -0.01 0.19 5.75 -1.26 -2.72 116.55 113.37 3d9o n ASP 105 Ca 0.20 -0.19 0.11 0.00 -0.01 0.00 0.00 54.79 54.90 3d9o n ASP 105 Cb 0.63 -0.22 0.01 0.00 -1.03 0.00 0.00 41.12 40.51 3d9o n ASP 105 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3d9o n ASP 106 N -1.22 0.85 -0.22 -1.12 9.92 -0.42 -4.41 116.55 119.93 3d9o n ASP 106 Ca 0.12 -0.76 -0.04 0.00 -0.53 0.00 0.00 54.79 53.59 3d9o n ASP 106 Cb 0.16 0.74 0.14 0.00 -0.64 0.00 0.00 41.12 41.52 3d9o n ASP 106 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 3d9o h LYS 107 N 0.04 1.04 0.00 -1.24 1.57 -1.58 -2.12 116.57 114.28 3d9o h LYS 107 Ca 0.00 -0.17 -0.03 0.00 -1.87 0.00 0.00 60.65 58.58 3d9o h LYS 107 Cb 0.50 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.63 3d9o h LYS 107 CO 0.00 0.84 -0.13 0.66 -0.57 0.00 0.00 179.45 180.25 3d9o h SER 108 N 1.02 0.00 0.42 0.86 4.64 -1.81 -2.18 113.55 116.50 3d9o h SER 108 Ca 0.24 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.37 3d9o h SER 108 Cb 0.18 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.27 3d9o h SER 108 CO -0.02 0.13 -0.81 0.11 -0.87 0.00 0.00 176.83 175.37 3d9o h LYS 109 N 0.00 0.29 -0.18 4.77 1.57 -1.65 -0.81 116.57 120.57 3d9o h LYS 109 Ca -0.00 -0.28 -0.03 0.00 -1.87 0.00 0.00 60.65 58.47 3d9o h LYS 109 Cb 0.32 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 3d9o h LYS 109 CO 0.02 0.95 -0.01 0.82 -0.57 0.00 0.00 179.45 180.66 3d9o h ILE 110 N 0.18 1.26 -0.64 1.86 2.04 -1.21 -2.80 117.51 118.21 3d9o h ILE 110 Ca -0.04 -0.90 0.01 0.00 1.00 0.00 0.00 64.86 64.93 3d9o h ILE 110 Cb 1.40 1.51 -0.03 0.00 -0.74 0.00 0.00 36.82 38.96 3d9o h ILE 110 CO 0.13 0.27 0.42 0.58 0.00 0.00 0.00 178.15 179.55 3d9o h VAL 111 N 0.06 1.16 -0.50 1.67 2.07 -1.40 -1.23 116.25 118.09 3d9o h VAL 111 Ca 0.05 -0.29 0.09 0.00 0.82 0.00 0.00 66.70 67.37 3d9o h VAL 111 Cb 0.41 0.22 -0.08 0.00 -1.52 0.00 0.00 31.29 30.33 3d9o h VAL 111 CO 0.01 0.16 0.03 -0.09 0.02 0.00 0.00 177.57 177.70 3d9o h ARG 112 N 0.86 0.14 -0.24 1.57 2.43 -1.13 0.10 114.38 118.12 3d9o h ARG 112 Ca 0.23 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.39 3d9o h ARG 112 Cb -0.09 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.41 3d9o h ARG 112 CO -0.05 0.10 0.12 0.28 -1.51 0.00 0.00 179.97 178.90 3d9o h VAL 113 N 0.15 1.14 -0.72 0.20 2.07 -1.19 -1.99 116.25 115.90 3d9o h VAL 113 Ca 0.25 -0.38 0.06 0.00 0.82 0.00 0.00 66.70 67.45 3d9o h VAL 113 Cb 0.37 0.95 -0.06 0.00 -1.52 0.00 0.00 31.29 31.03 3d9o h VAL 113 CO -0.39 0.13 0.42 -0.07 0.02 0.00 0.00 177.57 177.68 3d9o h LEU 114 N 0.26 0.63 -0.77 2.57 3.38 -0.59 0.24 115.31 121.03 3d9o h LEU 114 Ca 0.08 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 3d9o h LEU 114 Cb 0.11 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 3d9o h LEU 114 CO -0.01 0.40 0.30 0.78 0.09 0.00 0.00 178.44 180.00 3d9o h ASN 115 N 0.76 1.07 -0.52 -0.43 2.35 -0.67 -1.71 115.58 116.43 3d9o h ASN 115 Ca 0.32 -0.18 -0.04 0.00 -0.55 0.00 0.00 56.30 55.85 3d9o h ASN 115 Cb 0.20 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.27 3d9o h ASN 115 CO -0.18 0.96 0.16 -0.07 -1.65 0.00 0.00 177.43 176.64 3d9o h LEU 116 N 1.12 0.76 -0.67 1.61 3.38 -0.91 0.59 115.31 121.19 3d9o h LEU 116 Ca 0.26 -0.21 0.05 0.00 0.09 0.00 0.00 57.88 58.07 3d9o h LEU 116 Cb 0.23 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.73 3d9o h LEU 116 CO -0.02 0.77 0.38 -0.50 0.09 0.00 0.00 178.44 179.16 3d9o h TRP 117 N 0.71 0.70 0.11 1.13 6.55 -0.76 -0.05 115.95 124.34 3d9o h TRP 117 Ca 0.17 0.02 -0.01 0.00 0.95 0.00 0.00 58.89 60.03 3d9o h TRP 117 Cb 0.28 -0.22 0.00 0.00 -0.86 0.00 0.00 29.16 28.37 3d9o h TRP 117 CO 0.02 0.34 -0.05 0.37 -1.05 0.00 0.00 178.44 178.07 3d9o h GLN 118 N 0.70 -0.14 -0.82 0.49 4.15 -1.18 0.11 115.11 118.43 3d9o h GLN 118 Ca 0.29 0.01 0.11 0.00 0.77 0.00 0.00 58.65 59.83 3d9o h GLN 118 Cb 0.16 0.03 -0.08 0.00 0.21 0.00 0.00 27.48 27.80 3d9o h GLN 118 CO -0.17 0.08 0.44 -0.22 -1.93 0.00 0.00 178.83 177.04 3d9o h LYS 119 N -0.35 0.69 -0.59 1.69 3.64 -0.56 -2.62 116.57 118.47 3d9o h LYS 119 Ca -0.02 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 3d9o h LYS 119 Cb 0.29 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 3d9o h LYS 119 CO 0.02 0.45 0.00 0.09 -2.27 0.00 0.00 179.45 177.75 3d9o n ASN 120 N -4.80 3.64 -3.89 4.20 3.02 -0.06 -4.97 115.26 112.40 3d9o n ASN 120 Ca 0.14 -1.99 -0.29 0.00 -0.03 0.00 0.00 54.58 52.41 3d9o n ASN 120 Cb 0.33 -0.39 0.03 0.00 -0.61 0.00 0.00 39.78 39.13 3d9o n ASN 120 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3d9o n ASN 121 N 1.39 -4.44 -0.03 6.41 3.02 -0.47 -4.88 115.26 116.26 3d9o n ASN 121 Ca 0.21 -0.78 -0.15 0.00 -0.03 0.00 0.00 54.58 53.83 3d9o n ASN 121 Cb 0.58 -3.92 -0.03 0.00 -0.61 0.00 0.00 39.78 35.79 3d9o n ASN 121 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3d9o h VAL 122 N -2.08 1.29 -3.17 2.41 2.07 -1.12 -3.44 116.25 112.20 3d9o h VAL 122 Ca -0.58 -1.91 -0.50 0.00 0.82 0.00 0.00 66.70 64.53 3d9o h VAL 122 Cb 1.37 1.87 -0.17 0.00 -1.52 0.00 0.00 31.29 32.85 3d9o h VAL 122 CO 0.66 0.60 -0.77 -0.36 0.02 0.00 0.00 177.57 177.72 3d9o s PHE 123 N -3.87 1.78 0.42 1.57 0.40 -1.25 -4.93 117.98 112.10 3d9o s PHE 123 Ca -0.09 -0.49 -0.26 0.00 -0.60 0.00 0.00 56.93 55.49 3d9o s PHE 123 Cb 0.10 -0.87 -0.08 0.00 0.51 0.00 0.00 43.02 42.67 3d9o s PHE 123 CO 0.89 0.34 1.29 0.15 0.70 0.00 0.00 175.22 178.59 3d9o s LYS 124 N -3.02 3.90 0.40 0.44 -0.14 -1.26 -4.70 119.74 115.36 3d9o s LYS 124 Ca 0.17 2.13 0.06 0.00 -1.36 0.00 0.00 55.97 56.97 3d9o s LYS 124 Cb -0.04 -2.70 0.81 0.00 -1.68 0.00 0.00 37.83 34.21 3d9o s LYS 124 CO 0.07 -0.54 2.04 1.03 -0.76 0.00 0.00 175.35 177.19 3d9o h SER 125 N 2.56 0.51 0.06 2.83 0.87 -1.95 -1.04 113.55 117.39 3d9o h SER 125 Ca -0.50 -0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.03 3d9o h SER 125 Cb 1.25 -0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 63.08 3d9o h SER 125 CO 0.62 0.39 -0.06 1.05 -0.53 0.00 0.00 176.83 178.30 3d9o h GLU 126 N 0.59 0.00 0.20 2.24 4.11 -2.01 -1.11 114.58 118.60 3d9o h GLU 126 Ca 0.16 0.00 -0.28 0.00 0.07 0.00 0.00 59.36 59.30 3d9o h GLU 126 Cb -0.03 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.25 3d9o h GLU 126 CO -0.03 0.06 -1.24 0.82 0.07 0.00 0.00 179.01 178.69 3d9o h ILE 127 N 0.00 1.35 -0.22 -1.06 1.08 -1.58 -3.38 117.51 113.71 3d9o h ILE 127 Ca -0.00 -2.61 -0.20 0.00 -0.39 0.00 0.00 64.86 61.65 3d9o h ILE 127 Cb 0.10 3.05 0.01 0.00 -3.07 0.00 0.00 36.82 36.91 3d9o h ILE 127 CO 0.01 0.77 -0.66 0.40 -0.69 0.00 0.00 178.15 177.98 3d9o h ILE 128 N -0.00 1.28 -0.46 -0.67 1.08 -1.02 -3.36 117.51 114.35 3d9o h ILE 128 Ca -0.21 -1.85 0.08 0.00 -0.39 0.00 0.00 64.86 62.49 3d9o h ILE 128 Cb 1.97 1.82 -0.07 0.00 -3.07 0.00 0.00 36.82 37.48 3d9o h ILE 128 CO 0.23 0.59 0.07 -0.61 -0.69 0.00 0.00 178.15 177.75 3d9o h GLN 129 N 0.58 0.19 0.00 2.37 5.75 -1.39 -0.58 115.11 122.03 3d9o h GLN 129 Ca -0.02 -0.01 -0.03 0.00 -0.15 0.00 0.00 58.65 58.44 3d9o h GLN 129 Cb 1.28 -0.04 -0.00 0.00 1.07 0.00 0.00 27.48 29.78 3d9o h GLN 129 CO 0.14 0.13 -0.14 -1.35 -2.65 0.00 0.00 178.83 174.96 3d9o h PRO 130 N 0.20 0.00 -0.57 -2.39 0.11 -1.79 0.01 132.00 127.57 3d9o h PRO 130 Ca 0.23 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 66.23 3d9o h PRO 130 Cb 0.31 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.40 3d9o h PRO 130 CO -0.32 0.14 -0.06 -0.07 -0.21 0.00 0.00 178.00 177.48 3d9o h LEU 131 N 0.00 1.04 -0.19 2.35 3.38 -1.29 -3.00 115.31 117.59 3d9o h LEU 131 Ca -0.00 -0.33 -0.04 0.00 0.09 0.00 0.00 57.88 57.60 3d9o h LEU 131 Cb 0.27 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3d9o h LEU 131 CO 0.02 1.13 -0.03 -0.07 0.09 0.00 0.00 178.44 179.58 3d9o h LEU 132 N 0.94 0.36 -2.19 1.67 3.38 -0.84 -2.97 115.31 115.65 3d9o h LEU 132 Ca 0.15 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.78 3d9o h LEU 132 Cb 0.63 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.28 3d9o h LEU 132 CO 0.04 0.62 0.00 0.47 0.09 0.00 0.00 178.44 179.66 3d9o n ASP 133 N -4.66 0.00 0.00 -0.43 8.00 -0.06 -2.16 116.55 117.25 3d9o n ASP 133 Ca -0.05 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.45 3d9o n ASP 133 Cb 0.26 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.36 3d9o n ASP 133 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3d9o n ALA 135 N 0.81 0.00 -0.28 2.24 0.00 -1.12 -1.07 120.51 121.08 3d9o n ALA 135 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 3d9o n ALA 135 Cb 0.00 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.51 3d9o n ALA 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3d9o h ALA 136 N 0.00 1.01 -0.46 0.00 0.00 -1.76 -2.67 119.26 115.37 3d9o h ALA 136 Ca 0.00 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 3d9o h ALA 136 Cb 0.00 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 3d9o h ALA 136 CO 0.00 0.60 0.16 0.00 0.00 0.00 0.00 179.25 180.01 3d9o h ALA 137 N 1.18 1.41 -0.18 0.00 0.00 -1.37 -1.93 119.26 118.36 3d9o h ALA 137 Ca 0.26 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 3d9o h ALA 137 Cb 0.17 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3d9o h ALA 137 CO -0.03 0.44 -0.10 -0.07 0.00 0.00 0.00 179.25 179.49 3d9o h LEU 138 N 0.67 0.26 0.00 0.00 3.38 -1.74 -2.87 115.31 115.00 3d9o h LEU 138 Ca 0.16 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3d9o h LEU 138 Cb 0.18 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3d9o h LEU 138 CO -0.01 0.40 0.00 -0.62 0.09 0.00 0.00 178.44 178.30 3d9o n GLU 139 N -4.28 0.20 0.00 1.13 -0.58 -0.73 -5.13 120.64 111.25 3d9o n GLU 139 Ca -0.00 0.08 0.04 0.00 -0.42 0.00 0.00 57.16 56.86 3d9o n GLU 139 Cb 0.26 -1.50 0.04 0.00 -0.57 0.00 0.00 31.44 29.67 3d9o n GLU 139 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37