#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m9c s HIS 12 N 0.00 2.17 -0.53 1.45 2.46 -1.26 -4.94 115.29 114.64 1m9c s HIS 12 Ca 0.00 0.34 -0.05 0.00 0.47 0.00 0.00 55.06 55.82 1m9c s HIS 12 Cb 0.00 -4.43 0.14 0.00 -0.13 0.00 0.00 32.58 28.16 1m9c s HIS 12 CO 0.00 -2.07 0.36 -0.65 -2.47 0.00 0.00 174.74 169.91 1m9c s GLN 13 N 5.87 2.42 0.96 2.88 -1.52 -1.26 -5.09 119.66 123.91 1m9c s GLN 13 Ca 0.48 -2.14 -0.13 0.00 -1.95 0.00 0.00 55.36 51.62 1m9c s GLN 13 Cb -0.10 -3.76 0.03 0.00 -0.22 0.00 0.00 33.01 28.96 1m9c s GLN 13 CO 0.20 -1.15 0.34 0.00 -0.25 0.00 0.00 175.29 174.44 1m9c n ALA 14 N 4.16 -2.78 -1.81 6.09 0.00 -1.26 -4.92 120.51 120.00 1m9c n ALA 14 Ca 0.02 -0.64 -0.41 0.00 0.00 0.00 0.00 53.44 52.41 1m9c n ALA 14 Cb 0.40 -1.76 -0.02 0.00 0.00 0.00 0.00 19.45 18.07 1m9c n ALA 14 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1m9c s ILE 15 N -2.38 2.52 0.49 0.00 -4.36 -1.26 -4.96 121.20 111.24 1m9c s ILE 15 Ca 0.56 0.48 -0.20 0.00 -0.26 0.00 0.00 60.65 61.23 1m9c s ILE 15 Cb -0.21 -3.31 -0.08 0.00 1.25 0.00 0.00 42.46 40.11 1m9c s ILE 15 CO 0.68 0.10 1.04 -0.94 0.24 0.00 0.00 174.94 176.06 1m9c s SER 16 N -0.07 6.34 0.40 4.36 1.04 -1.26 -4.91 113.70 119.60 1m9c s SER 16 Ca 0.54 1.93 0.11 0.00 0.48 0.00 0.00 55.95 59.01 1m9c s SER 16 Cb -0.42 -2.56 0.92 0.00 0.10 0.00 0.00 66.02 64.05 1m9c s SER 16 CO 0.52 -0.78 1.95 -0.65 0.98 0.00 0.00 173.24 175.25 1m9c h PRO 17 N 1.55 0.54 -0.33 4.02 0.11 -2.00 -0.07 132.00 135.82 1m9c h PRO 17 Ca -0.49 -0.03 0.06 0.00 0.11 0.00 0.00 66.00 65.64 1m9c h PRO 17 Cb 1.22 -0.12 -0.05 0.00 0.11 0.00 0.00 31.00 32.16 1m9c h PRO 17 CO 0.59 0.36 0.02 0.00 -0.21 0.00 0.00 178.00 178.75 1m9c h ARG 18 N 0.55 0.11 -0.33 1.05 3.08 -2.00 -1.33 114.38 115.52 1m9c h ARG 18 Ca 0.33 -0.01 -0.09 0.00 0.07 0.00 0.00 59.98 60.28 1m9c h ARG 18 Cb 0.53 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.54 1m9c h ARG 18 CO -0.11 0.07 -0.17 1.15 -1.07 0.00 0.00 179.97 179.84 1m9c h THR 19 N 0.12 1.25 -0.06 2.04 2.02 -1.41 -2.06 112.91 114.81 1m9c h THR 19 Ca 0.16 -1.17 -0.01 0.00 0.77 0.00 0.00 66.41 66.16 1m9c h THR 19 Cb 0.21 1.19 -0.00 0.00 -1.74 0.00 0.00 68.15 67.80 1m9c h THR 19 CO -0.25 0.39 0.01 -0.07 0.37 0.00 0.00 175.52 175.96 1m9c h LEU 20 N 0.54 0.09 -0.92 2.58 -0.00 -0.40 -1.03 115.31 116.16 1m9c h LEU 20 Ca 0.09 -0.25 -0.06 0.00 -0.00 0.00 0.00 57.88 57.66 1m9c h LEU 20 Cb 0.60 -0.02 -0.03 0.00 -0.00 0.00 0.00 40.66 41.21 1m9c h LEU 20 CO 0.04 0.32 0.13 0.78 -0.00 0.00 0.00 178.44 179.71 1m9c h ASN 21 N -0.14 0.87 -0.36 -0.43 2.35 -1.32 0.15 115.58 116.69 1m9c h ASN 21 Ca 0.02 -0.17 0.04 0.00 -0.55 0.00 0.00 56.30 55.64 1m9c h ASN 21 Cb 0.27 -0.23 -0.04 0.00 0.05 0.00 0.00 38.32 38.37 1m9c h ASN 21 CO 0.00 0.85 0.14 0.00 -1.65 0.00 0.00 177.43 176.77 1m9c h ALA 22 N 1.26 0.43 -0.09 -0.83 0.00 -1.31 0.48 119.26 119.20 1m9c h ALA 22 Ca 0.19 0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.16 1m9c h ALA 22 Cb 0.33 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1m9c h ALA 22 CO 0.00 -0.25 -0.07 2.35 0.00 0.00 0.00 179.25 181.29 1m9c h TRP 23 N 0.30 -0.16 -0.36 0.00 -0.00 -0.08 -0.78 115.95 114.87 1m9c h TRP 23 Ca 0.16 0.01 0.07 0.00 -0.00 0.00 0.00 58.89 59.13 1m9c h TRP 23 Cb 0.13 0.08 -0.06 0.00 -0.00 0.00 0.00 29.16 29.31 1m9c h TRP 23 CO -0.13 -0.10 -0.02 0.28 -0.00 0.00 0.00 178.44 178.46 1m9c h VAL 24 N -0.08 0.71 -0.76 2.65 2.07 -0.47 0.88 116.25 121.25 1m9c h VAL 24 Ca 0.06 -0.02 0.12 0.00 0.82 0.00 0.00 66.70 67.67 1m9c h VAL 24 Cb 0.16 0.63 -0.08 0.00 -1.52 0.00 0.00 31.29 30.48 1m9c h VAL 24 CO -0.13 0.01 0.37 0.11 0.02 0.00 0.00 177.57 177.95 1m9c h LYS 25 N 0.07 0.57 -0.02 1.57 6.56 0.51 0.59 116.57 126.43 1m9c h LYS 25 Ca 0.17 -0.03 -0.00 0.00 -1.06 0.00 0.00 60.65 59.73 1m9c h LYS 25 Cb 0.25 -0.13 -0.00 0.00 -0.57 0.00 0.00 32.23 31.78 1m9c h LYS 25 CO -0.31 0.38 -0.00 0.28 -2.06 0.00 0.00 179.45 177.74 1m9c h VAL 26 N 0.59 1.29 -0.17 0.50 2.07 0.55 0.26 116.25 121.33 1m9c h VAL 26 Ca 0.40 -0.86 0.02 0.00 0.82 0.00 0.00 66.70 67.08 1m9c h VAL 26 Cb 0.49 1.84 -0.02 0.00 -1.52 0.00 0.00 31.29 32.08 1m9c h VAL 26 CO -0.32 0.23 0.06 0.58 0.02 0.00 0.00 177.57 178.13 1m9c h VAL 27 N -0.32 0.96 -0.11 2.57 2.07 -0.32 0.06 116.25 121.15 1m9c h VAL 27 Ca 0.00 -0.05 0.03 0.00 0.82 0.00 0.00 66.70 67.51 1m9c h VAL 27 Cb 0.37 0.80 -0.06 0.00 -1.52 0.00 0.00 31.29 30.88 1m9c h VAL 27 CO 0.00 0.03 -0.50 1.05 0.02 0.00 0.00 177.57 178.17 1m9c h GLU 28 N 0.14 -0.55 0.00 1.57 4.11 0.61 -3.01 114.58 117.45 1m9c h GLU 28 Ca 0.07 0.04 -0.06 0.00 0.07 0.00 0.00 59.36 59.49 1m9c h GLU 28 Cb 0.05 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1m9c h GLU 28 CO -0.08 -0.37 -0.27 0.93 0.07 0.00 0.00 179.01 179.30 1m9c h GLU 29 N -0.57 0.00 -6.26 1.06 5.08 -0.12 -3.43 114.58 110.35 1m9c h GLU 29 Ca 0.05 0.00 -0.64 0.00 -1.00 0.00 0.00 59.36 57.77 1m9c h GLU 29 Cb 0.67 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.82 1m9c h GLU 29 CO -0.41 0.27 -0.62 0.15 -1.00 0.00 0.00 179.01 177.39 1m9c s LYS 30 N -4.01 2.73 -0.87 2.33 -0.14 -0.03 -4.99 119.74 114.77 1m9c s LYS 30 Ca -0.02 -0.78 -0.04 0.00 -1.36 0.00 0.00 55.97 53.77 1m9c s LYS 30 Cb 0.13 -2.63 0.15 0.00 -1.68 0.00 0.00 37.83 33.80 1m9c s LYS 30 CO 0.66 0.54 2.42 0.00 -0.76 0.00 0.00 175.35 178.22 1m9c n ALA 31 N 0.41 6.54 -3.36 5.17 0.00 -1.26 -4.28 120.51 123.72 1m9c n ALA 31 Ca -0.09 -3.74 -0.12 0.00 0.00 0.00 0.00 53.44 49.49 1m9c n ALA 31 Cb 0.52 -2.34 0.01 0.00 0.00 0.00 0.00 19.45 17.64 1m9c n ALA 31 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1m9c n PHE 32 N 0.83 -2.56 -3.98 0.00 3.72 -1.26 -4.83 117.46 109.38 1m9c n PHE 32 Ca 0.54 0.96 -0.21 0.00 -0.05 0.00 0.00 57.45 58.69 1m9c n PHE 32 Cb 0.37 -3.63 -0.03 0.00 -0.94 0.00 0.00 39.48 35.25 1m9c n PHE 32 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1m9c s SER 33 N -3.06 5.90 0.56 4.37 1.04 -1.26 -4.48 113.70 116.77 1m9c s SER 33 Ca 0.07 -0.12 0.31 0.00 0.48 0.00 0.00 55.95 56.69 1m9c s SER 33 Cb -0.02 -1.57 1.46 0.00 0.10 0.00 0.00 66.02 65.99 1m9c s SER 33 CO 0.81 -0.11 1.86 -0.65 0.98 0.00 0.00 173.24 176.13 1m9c h PRO 34 N 1.28 0.00 0.00 4.02 0.11 -1.91 -1.76 132.00 133.74 1m9c h PRO 34 Ca -0.50 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 1m9c h PRO 34 Cb 1.24 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 1m9c h PRO 34 CO 0.60 0.00 -0.08 0.93 -0.21 0.00 0.00 178.00 179.24 1m9c h GLU 35 N 0.00 0.00 0.00 1.05 5.08 -2.02 -2.55 114.58 116.14 1m9c h GLU 35 Ca 0.36 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.71 1m9c h GLU 35 Cb 1.61 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.86 1m9c h GLU 35 CO -0.00 0.08 -0.04 0.28 -1.00 0.00 0.00 179.01 178.33 1m9c h VAL 36 N 0.00 0.45 0.29 3.13 2.07 -1.71 -0.88 116.25 119.60 1m9c h VAL 36 Ca -0.00 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 1m9c h VAL 36 Cb 0.19 1.12 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1m9c h VAL 36 CO 0.01 0.04 -0.14 0.40 0.02 0.00 0.00 177.57 177.90 1m9c h ILE 37 N 0.00 0.18 -0.41 4.57 2.04 -1.65 0.03 117.51 122.28 1m9c h ILE 37 Ca -0.00 -0.79 0.00 0.00 1.00 0.00 0.00 64.86 65.08 1m9c h ILE 37 Cb 0.11 0.31 -0.02 0.00 -0.74 0.00 0.00 36.82 36.49 1m9c h ILE 37 CO 0.00 0.05 0.27 1.55 0.00 0.00 0.00 178.15 180.02 1m9c h PRO 38 N -1.07 0.54 -0.59 2.37 0.13 -1.70 0.54 132.00 132.22 1m9c h PRO 38 Ca -0.04 -0.03 0.03 0.00 -0.87 0.00 0.00 66.00 65.08 1m9c h PRO 38 Cb 0.38 -0.12 -0.04 0.00 0.13 0.00 0.00 31.00 31.35 1m9c h PRO 38 CO 0.07 0.36 0.36 1.98 -0.23 0.00 0.00 178.00 180.53 1m9c h MET 39 N 0.55 0.69 -0.15 0.86 4.05 -1.17 0.24 114.93 120.00 1m9c h MET 39 Ca 0.15 -0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 59.52 1m9c h MET 39 Cb -0.06 -0.16 -0.01 0.00 -0.80 0.00 0.00 31.60 30.58 1m9c h MET 39 CO -0.03 0.46 0.06 0.35 0.23 0.00 0.00 176.91 177.97 1m9c h PHE 40 N 0.71 0.24 -0.80 1.39 3.57 0.11 -0.62 116.94 121.55 1m9c h PHE 40 Ca 0.24 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.68 1m9c h PHE 40 Cb 0.02 -0.07 -0.04 0.00 2.79 0.00 0.00 35.95 38.65 1m9c h PHE 40 CO -0.06 0.33 0.35 0.66 -2.23 0.00 0.00 178.31 177.37 1m9c h SER 41 N 0.08 1.07 0.26 0.41 4.64 -1.29 -1.64 113.55 117.09 1m9c h SER 41 Ca 0.05 -0.15 -0.05 0.00 -0.47 0.00 0.00 61.79 61.17 1m9c h SER 41 Cb 0.19 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.00 1m9c h SER 41 CO -0.00 0.93 -0.24 0.00 -0.87 0.00 0.00 176.83 176.64 1m9c h ALA 42 N 1.19 1.56 -0.02 5.18 0.00 0.01 -2.69 119.26 124.49 1m9c h ALA 42 Ca 0.27 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1m9c h ALA 42 Cb 0.17 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1m9c h ALA 42 CO -0.03 0.30 -0.03 1.28 0.00 0.00 0.00 179.25 180.78 1m9c n LEU 43 N -4.20 1.61 -0.49 0.00 4.77 -0.29 -4.21 117.00 114.20 1m9c n LEU 43 Ca -0.02 -0.53 0.07 0.00 -0.03 0.00 0.00 56.01 55.50 1m9c n LEU 43 Cb 0.30 -0.01 0.19 0.00 -2.33 0.00 0.00 43.42 41.57 1m9c n LEU 43 CO 0.37 0.27 0.40 -1.54 -1.33 0.00 0.00 177.39 175.56 1m9c n SER 44 N 0.21 1.84 -4.66 -1.43 3.41 -0.65 -5.01 113.62 107.33 1m9c n SER 44 Ca 0.18 -3.71 -0.42 0.00 -0.26 0.00 0.00 58.87 54.66 1m9c n SER 44 Cb 0.38 -0.51 -0.03 0.00 -0.26 0.00 0.00 64.21 63.79 1m9c n SER 44 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1m9c s GLU 45 N -3.13 4.14 -1.02 4.33 2.02 -1.25 -1.46 118.70 122.34 1m9c s GLU 45 Ca 0.37 2.62 0.00 0.00 0.02 0.00 0.00 54.97 57.98 1m9c s GLU 45 Cb 0.35 -4.15 0.00 0.00 0.10 0.00 0.00 34.13 30.43 1m9c s GLU 45 CO -0.05 -0.96 0.00 0.41 0.02 0.00 0.00 175.26 174.69 1m9c n GLY 46 N 4.55 1.09 3.77 -1.39 0.00 -1.26 -4.96 105.19 106.98 1m9c n GLY 46 Ca 0.20 -0.38 -0.40 0.00 0.00 0.00 0.00 46.02 45.44 1m9c n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1m9c s ALA 47 N -2.24 3.35 0.62 4.61 0.00 -0.53 -5.06 121.76 122.52 1m9c s ALA 47 Ca 0.00 1.28 -0.05 0.00 0.00 0.00 0.00 51.96 53.18 1m9c s ALA 47 Cb 0.00 -3.50 0.03 0.00 0.00 0.00 0.00 23.12 19.65 1m9c s ALA 47 CO 0.00 -0.80 0.92 0.95 0.00 0.00 0.00 175.76 176.83 1m9c s THR 48 N -1.21 3.10 0.31 0.00 -4.23 -1.26 -4.36 115.64 107.99 1m9c s THR 48 Ca 0.54 -0.16 0.02 0.00 -1.18 0.00 0.00 61.69 60.91 1m9c s THR 48 Cb -0.39 -3.26 0.29 0.00 1.34 0.00 0.00 72.50 70.48 1m9c s THR 48 CO 0.51 -0.26 1.89 -0.65 -0.54 0.00 0.00 174.62 175.57 1m9c h PRO 49 N -0.29 0.94 -0.43 3.99 0.11 -1.87 -1.32 132.00 133.13 1m9c h PRO 49 Ca -0.45 -0.06 0.08 0.00 0.11 0.00 0.00 66.00 65.68 1m9c h PRO 49 Cb 1.28 -0.21 -0.07 0.00 0.11 0.00 0.00 31.00 32.11 1m9c h PRO 49 CO 0.60 0.62 0.02 0.37 -0.21 0.00 0.00 178.00 179.40 1m9c h GLN 50 N 0.97 0.13 -0.06 1.05 -0.00 -1.91 -0.52 115.11 114.76 1m9c h GLN 50 Ca 0.42 -0.01 -0.09 0.00 -0.00 0.00 0.00 58.65 58.97 1m9c h GLN 50 Cb 0.34 -0.03 -0.01 0.00 0.00 0.00 0.00 27.48 27.78 1m9c h GLN 50 CO -0.18 0.08 -0.38 -0.44 0.00 0.00 0.00 178.83 177.91 1m9c h ASP 51 N 0.13 0.13 -0.32 -0.69 3.32 -1.67 -1.87 116.42 115.45 1m9c h ASP 51 Ca 0.22 -0.05 -0.06 0.00 0.02 0.00 0.00 57.03 57.16 1m9c h ASP 51 Cb 0.31 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 1m9c h ASP 51 CO -0.34 0.51 -0.04 -0.07 -1.72 0.00 0.00 179.24 177.58 1m9c h LEU 52 N 0.11 0.58 -0.64 1.55 3.38 -0.26 -1.49 115.31 118.54 1m9c h LEU 52 Ca 0.01 -0.34 -0.10 0.00 0.09 0.00 0.00 57.88 57.55 1m9c h LEU 52 Cb 0.73 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 1m9c h LEU 52 CO 0.05 0.78 0.00 0.78 0.09 0.00 0.00 178.44 180.15 1m9c h ASN 53 N 0.37 1.04 -0.82 -0.43 2.35 -1.06 0.38 115.58 117.42 1m9c h ASN 53 Ca 0.08 -0.29 0.08 0.00 -0.55 0.00 0.00 56.30 55.62 1m9c h ASN 53 Cb 0.51 -0.28 -0.07 0.00 0.05 0.00 0.00 38.32 38.53 1m9c h ASN 53 CO 0.02 1.09 0.48 0.74 -1.65 0.00 0.00 177.43 178.11 1m9c h THR 54 N 0.97 0.96 -0.38 2.81 2.02 -1.05 0.14 112.91 118.39 1m9c h THR 54 Ca 0.17 -0.29 0.01 0.00 0.77 0.00 0.00 66.41 67.07 1m9c h THR 54 Cb 0.55 0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 66.99 1m9c h THR 54 CO 0.03 0.15 0.24 0.24 0.37 0.00 0.00 175.52 176.55 1m9c h MET 55 N 0.84 0.48 0.00 6.66 2.86 -0.79 -2.71 114.93 122.27 1m9c h MET 55 Ca 0.38 -0.03 -0.11 0.00 -2.06 0.00 0.00 59.70 57.88 1m9c h MET 55 Cb 0.27 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.81 1m9c h MET 55 CO -0.21 0.32 -0.53 -0.07 1.06 0.00 0.00 176.91 177.47 1m9c h LEU 56 N 0.49 0.00 -0.14 1.22 3.38 0.03 -3.18 115.31 117.10 1m9c h LEU 56 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1m9c h LEU 56 Cb -0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1m9c h LEU 56 CO -0.04 0.53 -0.24 0.59 0.09 0.00 0.00 178.44 179.37 1m9c n ASN 57 N -3.77 0.46 0.22 -0.43 4.13 0.39 -2.77 115.26 113.50 1m9c n ASN 57 Ca -0.01 -0.29 0.11 0.00 1.68 0.00 0.00 54.58 56.08 1m9c n ASN 57 Cb 0.57 -0.02 0.25 0.00 -1.54 0.00 0.00 39.78 39.04 1m9c n ASN 57 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1m9c h THR 58 N 0.35 0.15 -2.94 3.41 1.03 -1.46 -3.42 112.91 110.03 1m9c h THR 58 Ca 0.00 -1.10 -0.57 0.00 -0.01 0.00 0.00 66.41 64.74 1m9c h THR 58 Cb 0.46 1.97 -0.04 0.00 -1.07 0.00 0.00 68.15 69.47 1m9c h THR 58 CO 0.00 0.08 0.99 -0.69 -0.01 0.00 0.00 175.52 175.89 1m9c s VAL 59 N -3.27 4.05 0.32 0.00 1.01 -1.11 -5.00 120.40 116.40 1m9c s VAL 59 Ca 0.05 1.23 0.10 0.00 0.00 0.00 0.00 61.98 63.36 1m9c s VAL 59 Cb 0.06 -3.95 -0.06 0.00 0.00 0.00 0.00 36.38 32.43 1m9c s VAL 59 CO 0.66 -0.29 -0.10 -0.83 0.00 0.00 0.00 175.10 174.54 1m9c s GLY 60 N 2.85 2.05 -1.24 4.51 0.00 -1.26 -4.85 107.32 109.38 1m9c s GLY 60 Ca 0.60 -1.98 0.00 0.00 0.00 0.00 0.00 44.72 43.34 1m9c s GLY 60 CO 0.22 -1.97 0.00 0.61 0.00 0.00 0.00 173.10 171.96 1m9c n GLY 61 N -0.78 0.20 2.70 0.20 0.00 -1.26 -4.90 105.19 101.34 1m9c n GLY 61 Ca -0.05 -0.33 -0.07 0.00 0.00 0.00 0.00 46.02 45.57 1m9c n GLY 61 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1m9c n HIS 62 N -3.67 1.35 -0.23 1.61 -0.00 -1.26 -5.01 115.22 108.01 1m9c n HIS 62 Ca -0.16 -2.54 0.03 0.00 -0.00 0.00 0.00 57.72 55.05 1m9c n HIS 62 Cb 0.58 -0.31 0.13 0.00 -0.00 0.00 0.00 29.99 30.39 1m9c n HIS 62 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 176.34 178.30 1m9c h GLN 63 N 2.81 0.10 -0.42 -0.41 4.20 -1.97 -0.26 115.11 119.17 1m9c h GLN 63 Ca -0.08 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.61 1m9c h GLN 63 Cb 1.21 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.95 1m9c h GLN 63 CO 0.41 0.07 0.21 0.00 -0.67 0.00 0.00 178.83 178.85 1m9c h ALA 64 N 1.64 0.54 -0.57 3.87 0.00 -2.00 -0.41 119.26 122.34 1m9c h ALA 64 Ca 0.37 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 55.09 1m9c h ALA 64 Cb 0.62 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1m9c h ALA 64 CO -0.60 0.09 0.02 0.00 0.00 0.00 0.00 179.25 178.76 1m9c h ALA 65 N 1.06 0.97 -0.21 0.00 0.00 -1.80 -2.23 119.26 117.05 1m9c h ALA 65 Ca 0.15 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1m9c h ALA 65 Cb 0.09 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1m9c h ALA 65 CO -0.02 0.63 -0.02 0.52 0.00 0.00 0.00 179.25 180.36 1m9c h MET 66 N 0.89 0.31 -0.35 0.00 2.07 -0.68 -0.47 114.93 116.70 1m9c h MET 66 Ca 0.17 -0.05 -0.17 0.00 -2.07 0.00 0.00 59.70 57.58 1m9c h MET 66 Cb 0.49 -0.05 -0.00 0.00 -1.87 0.00 0.00 31.60 30.17 1m9c h MET 66 CO 0.02 0.36 -0.45 0.37 1.07 0.00 0.00 176.91 178.28 1m9c h GLN 67 N 0.30 0.92 -0.80 1.72 5.75 -0.74 0.34 115.11 122.60 1m9c h GLN 67 Ca 0.07 -0.52 0.01 0.00 -0.15 0.00 0.00 58.65 58.06 1m9c h GLN 67 Cb 0.24 0.04 -0.04 0.00 1.07 0.00 0.00 27.48 28.79 1m9c h GLN 67 CO 0.01 1.17 0.53 0.52 -2.65 0.00 0.00 178.83 178.40 1m9c h MET 68 N 0.73 1.03 -0.20 1.69 2.86 -0.69 -0.79 114.93 119.57 1m9c h MET 68 Ca 0.04 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.60 1m9c h MET 68 Cb 1.05 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 32.47 1m9c h MET 68 CO 0.11 0.68 0.04 1.25 1.06 0.00 0.00 176.91 180.05 1m9c h LEU 69 N 1.06 0.31 -0.67 1.22 5.85 -0.73 -2.49 115.31 119.85 1m9c h LEU 69 Ca 0.30 -0.25 0.11 0.00 0.84 0.00 0.00 57.88 58.88 1m9c h LEU 69 Cb -0.09 -0.08 -0.08 0.00 0.37 0.00 0.00 40.66 40.78 1m9c h LEU 69 CO -0.08 0.48 0.28 0.11 -0.34 0.00 0.00 178.44 178.89 1m9c h LYS 70 N 0.12 0.45 -0.33 1.25 1.57 0.03 -2.07 116.57 117.59 1m9c h LYS 70 Ca 0.06 -0.03 0.03 0.00 -1.87 0.00 0.00 60.65 58.84 1m9c h LYS 70 Cb 0.30 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.48 1m9c h LYS 70 CO 0.00 0.30 0.15 0.93 -0.57 0.00 0.00 179.45 180.26 1m9c h GLU 71 N 0.47 0.30 -0.44 3.15 5.08 -1.08 -0.57 114.58 121.48 1m9c h GLU 71 Ca 0.35 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.71 1m9c h GLU 71 Cb 0.44 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 1m9c h GLU 71 CO -0.32 0.20 0.26 1.15 -1.00 0.00 0.00 179.01 179.30 1m9c h THR 72 N 0.31 1.06 -0.16 1.13 2.02 -0.93 -0.22 112.91 116.12 1m9c h THR 72 Ca 0.14 -0.18 0.03 0.00 0.77 0.00 0.00 66.41 67.17 1m9c h THR 72 Cb 0.07 0.48 -0.03 0.00 -1.74 0.00 0.00 68.15 66.93 1m9c h THR 72 CO -0.11 0.10 -0.04 0.40 0.37 0.00 0.00 175.52 176.23 1m9c h ILE 73 N 0.53 0.83 -1.00 3.11 2.04 -1.16 -0.04 117.51 121.83 1m9c h ILE 73 Ca 0.17 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.04 1m9c h ILE 73 Cb -0.00 0.83 -0.05 0.00 -0.74 0.00 0.00 36.82 36.86 1m9c h ILE 73 CO -0.07 0.00 0.66 0.78 0.00 0.00 0.00 178.15 179.52 1m9c h ASN 74 N -0.01 1.14 -0.44 1.72 -0.26 -0.69 0.62 115.58 117.67 1m9c h ASN 74 Ca 0.08 -0.03 -0.06 0.00 -0.56 0.00 0.00 56.30 55.73 1m9c h ASN 74 Cb 0.12 -0.28 -0.02 0.00 -1.06 0.00 0.00 38.32 37.08 1m9c h ASN 74 CO -0.17 0.82 0.04 -0.33 -1.06 0.00 0.00 177.43 176.74 1m9c h GLU 75 N 1.35 0.75 -0.08 0.81 5.08 -0.56 -2.23 114.58 119.70 1m9c h GLU 75 Ca 0.37 -0.22 -0.16 0.00 -1.00 0.00 0.00 59.36 58.35 1m9c h GLU 75 Cb -0.14 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.02 1m9c h GLU 75 CO -0.08 0.80 -0.64 0.93 -1.00 0.00 0.00 179.01 179.01 1m9c h GLU 76 N 0.60 0.30 -0.64 2.33 4.39 0.53 -0.81 114.58 121.28 1m9c h GLU 76 Ca 0.13 -0.22 -0.05 0.00 0.34 0.00 0.00 59.36 59.56 1m9c h GLU 76 Cb 0.43 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.09 1m9c h GLU 76 CO 0.01 0.84 0.21 0.00 -1.16 0.00 0.00 179.01 178.91 1m9c h ALA 77 N 1.11 0.84 -0.35 3.43 0.00 0.38 0.59 119.26 125.26 1m9c h ALA 77 Ca -0.01 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 1m9c h ALA 77 Cb 1.17 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 1m9c h ALA 77 CO 0.10 0.50 0.12 0.00 0.00 0.00 0.00 179.25 179.98 1m9c h ALA 78 N 1.08 0.46 -0.85 0.00 0.00 -1.14 -1.40 119.26 117.43 1m9c h ALA 78 Ca 0.21 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1m9c h ALA 78 Cb 0.28 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 1m9c h ALA 78 CO -0.01 0.08 0.40 1.49 0.00 0.00 0.00 179.25 181.21 1m9c h GLU 79 N 0.42 1.22 -0.85 0.00 4.57 -0.84 -0.35 114.58 118.75 1m9c h GLU 79 Ca 0.12 -0.19 0.03 0.00 -1.18 0.00 0.00 59.36 58.14 1m9c h GLU 79 Cb 0.22 -0.22 -0.05 0.00 -0.16 0.00 0.00 28.75 28.55 1m9c h GLU 79 CO -0.01 0.95 0.55 2.35 -1.18 0.00 0.00 179.01 181.67 1m9c h TRP 80 N 1.21 1.04 -0.25 0.92 2.91 -0.44 -2.18 115.95 119.15 1m9c h TRP 80 Ca 0.29 0.03 0.02 0.00 1.13 0.00 0.00 58.89 60.36 1m9c h TRP 80 Cb 0.13 -0.35 -0.02 0.00 -0.51 0.00 0.00 29.16 28.41 1m9c h TRP 80 CO 0.02 0.61 0.11 -0.44 -1.03 0.00 0.00 178.44 177.70 1m9c h ASP 81 N 1.08 0.14 0.03 2.65 3.32 0.01 -1.85 116.42 121.81 1m9c h ASP 81 Ca 0.34 0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.35 1m9c h ASP 81 Cb -0.02 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 1m9c h ASP 81 CO -0.11 0.11 -0.16 -0.09 -1.72 0.00 0.00 179.24 177.28 1m9c h ARG 82 N 0.23 0.26 -0.00 3.56 2.43 -0.75 -0.38 114.38 119.74 1m9c h ARG 82 Ca 0.11 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1m9c h ARG 82 Cb 0.05 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 1m9c h ARG 82 CO -0.09 0.43 -0.14 1.28 -1.51 0.00 0.00 179.97 179.93 1m9c n LEU 83 N -4.24 0.29 -3.53 3.80 4.77 -0.88 -4.55 117.00 112.66 1m9c n LEU 83 Ca -0.01 0.18 -0.27 0.00 -0.03 0.00 0.00 56.01 55.88 1m9c n LEU 83 Cb 0.29 -0.30 -0.09 0.00 -2.33 0.00 0.00 43.42 40.99 1m9c n LEU 83 CO 0.39 0.06 -0.02 1.41 -1.33 0.00 0.00 177.39 177.89 1m9c n HIS 84 N -1.26 2.77 -1.84 -1.77 8.25 -0.15 -5.08 115.22 116.13 1m9c n HIS 84 Ca 0.10 -4.08 -0.42 0.00 -0.26 0.00 0.00 57.72 53.07 1m9c n HIS 84 Cb 0.30 -0.50 -0.03 0.00 1.12 0.00 0.00 29.99 30.89 1m9c n HIS 84 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 1m9c s PRO 85 N -1.87 4.17 0.53 -0.41 0.04 -1.25 -4.84 135.00 131.37 1m9c s PRO 85 Ca 0.35 2.48 -0.22 0.00 0.04 0.00 0.00 61.00 63.65 1m9c s PRO 85 Cb 0.09 -3.10 -0.05 0.00 0.04 0.00 0.00 34.50 31.48 1m9c s PRO 85 CO -0.08 -0.64 1.35 0.54 0.04 0.00 0.00 177.00 178.21 1m9c s VAL 86 N 0.79 2.16 0.02 -0.36 0.11 -1.26 -5.02 120.40 116.84 1m9c s VAL 86 Ca 0.69 0.12 -0.21 0.00 -2.93 0.00 0.00 61.98 59.65 1m9c s VAL 86 Cb -0.46 -3.06 -0.06 0.00 -1.53 0.00 0.00 36.38 31.27 1m9c s VAL 86 CO 0.36 0.00 0.62 -1.00 -3.33 0.00 0.00 175.10 171.76 1m9c s HIS 87 N -1.31 3.71 0.68 1.54 3.76 -1.26 -5.07 115.29 117.34 1m9c s HIS 87 Ca 0.70 1.26 -0.11 0.00 -0.15 0.00 0.00 55.06 56.76 1m9c s HIS 87 Cb -0.40 -2.63 -0.00 0.00 1.11 0.00 0.00 32.58 30.66 1m9c s HIS 87 CO 0.47 0.38 1.06 0.00 -0.85 0.00 0.00 174.74 175.80 1m9c s ALA 88 N -0.32 2.74 0.00 -1.40 0.00 -1.26 -5.01 121.76 116.51 1m9c s ALA 88 Ca 0.32 0.08 0.00 0.00 0.00 0.00 0.00 51.96 52.36 1m9c s ALA 88 Cb -0.19 -3.17 0.00 0.00 0.00 0.00 0.00 23.12 19.77 1m9c s ALA 88 CO 0.19 -1.12 0.00 0.41 0.00 0.00 0.00 175.76 175.23 1m9c n GLY 89 N -2.03 2.92 3.82 0.00 0.00 -1.26 -5.10 105.19 103.54 1m9c n GLY 89 Ca 0.07 -1.93 -0.33 0.00 0.00 0.00 0.00 46.02 43.84 1m9c n GLY 89 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1m9c s PRO 90 N -2.02 4.15 -0.05 1.61 0.04 -1.26 -5.00 135.00 132.47 1m9c s PRO 90 Ca 0.00 1.14 -0.24 0.00 0.04 0.00 0.00 61.00 61.94 1m9c s PRO 90 Cb 0.00 -2.17 -0.04 0.00 0.04 0.00 0.00 34.50 32.34 1m9c s PRO 90 CO 0.00 -0.10 0.71 0.42 0.04 0.00 0.00 177.00 178.07 1m9c s ILE 91 N -2.19 5.00 0.10 0.56 -1.09 -1.26 -5.06 121.20 117.25 1m9c s ILE 91 Ca 0.62 1.47 -0.10 0.00 -2.23 0.00 0.00 60.65 60.42 1m9c s ILE 91 Cb -0.10 -4.05 -0.06 0.00 -1.58 0.00 0.00 42.46 36.67 1m9c s ILE 91 CO 0.15 0.27 0.42 0.00 -1.23 0.00 0.00 174.94 174.56 1m9c s ALA 92 N 0.66 3.70 -0.12 9.38 0.00 -1.26 -4.98 121.76 129.13 1m9c s ALA 92 Ca 0.38 -0.35 -0.41 0.00 0.00 0.00 0.00 51.96 51.58 1m9c s ALA 92 Cb -0.18 -2.31 -0.20 0.00 0.00 0.00 0.00 23.12 20.44 1m9c s ALA 92 CO 0.19 0.55 1.24 -2.30 0.00 0.00 0.00 175.76 175.44 1m9c n PRO 93 N 0.83 0.12 0.00 0.00 -0.02 -1.26 -2.07 135.00 132.60 1m9c n PRO 93 Ca -0.07 0.04 0.00 0.00 -2.02 0.00 0.00 63.50 61.45 1m9c n PRO 93 Cb 0.52 -1.56 0.00 0.00 -0.02 0.00 0.00 33.50 32.44 1m9c n PRO 93 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1m9c n GLY 94 N 2.26 2.43 3.70 -1.23 0.00 -1.26 -5.00 105.19 106.08 1m9c n GLY 94 Ca 0.23 -0.58 -0.29 0.00 0.00 0.00 0.00 46.02 45.37 1m9c n GLY 94 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1m9c s GLN 95 N 0.00 0.98 0.18 1.61 -2.07 -0.88 -5.04 119.66 114.44 1m9c s GLN 95 Ca 0.00 0.78 0.08 0.00 -1.82 0.00 0.00 55.36 54.40 1m9c s GLN 95 Cb 0.00 -1.78 -0.04 0.00 -1.09 0.00 0.00 33.01 30.10 1m9c s GLN 95 CO 0.00 -2.42 -0.05 -1.64 -1.32 0.00 0.00 175.29 169.85 1m9c s MET 96 N -4.91 2.22 0.85 9.60 -1.94 -1.26 -4.79 119.30 119.06 1m9c s MET 96 Ca 0.64 -1.22 -0.11 0.00 -1.71 0.00 0.00 55.69 53.30 1m9c s MET 96 Cb -0.19 -2.24 0.10 0.00 2.01 0.00 0.00 34.83 34.52 1m9c s MET 96 CO 0.57 0.44 1.10 0.50 -0.01 0.00 0.00 175.02 177.62 1m9c s ARG 97 N -2.94 1.65 -0.14 2.03 3.52 -1.26 -4.98 118.95 116.83 1m9c s ARG 97 Ca 0.26 1.12 -0.29 0.00 -0.13 0.00 0.00 55.73 56.69 1m9c s ARG 97 Cb -0.09 -1.83 -0.01 0.00 -1.56 0.00 0.00 34.95 31.47 1m9c s ARG 97 CO 0.17 -2.06 1.04 -1.21 -0.81 0.00 0.00 175.30 172.43 1m9c s GLU 98 N -4.85 4.36 0.25 5.12 2.02 -1.26 -5.00 118.70 119.34 1m9c s GLU 98 Ca 0.63 1.41 -0.30 0.00 0.02 0.00 0.00 54.97 56.72 1m9c s GLU 98 Cb -0.19 -3.58 -0.11 0.00 0.10 0.00 0.00 34.13 30.35 1m9c s GLU 98 CO 0.57 -0.43 1.58 -1.25 0.02 0.00 0.00 175.26 175.74 1m9c s PRO 99 N 2.44 4.17 0.72 0.39 0.04 -1.26 -5.03 135.00 136.47 1m9c s PRO 99 Ca 0.48 2.49 -0.00 0.00 0.04 0.00 0.00 61.00 64.01 1m9c s PRO 99 Cb -0.18 -3.07 0.13 0.00 0.04 0.00 0.00 34.50 31.42 1m9c s PRO 99 CO 0.14 -0.60 0.99 1.03 0.04 0.00 0.00 177.00 178.61 1m9c s ARG 100 N -0.01 1.67 0.22 4.56 1.81 -1.26 -4.90 118.95 121.04 1m9c s ARG 100 Ca 0.65 -1.17 -0.09 0.00 -1.72 0.00 0.00 55.73 53.40 1m9c s ARG 100 Cb -0.46 -2.34 0.18 0.00 -0.45 0.00 0.00 34.95 31.88 1m9c s ARG 100 CO 0.42 -1.45 1.88 0.78 -0.68 0.00 0.00 175.30 176.26 1m9c h GLY 101 N -0.51 1.12 2.00 -3.53 0.00 -1.93 0.25 103.07 100.47 1m9c h GLY 101 Ca -0.36 -0.41 -0.10 0.00 0.00 0.00 0.00 47.33 46.47 1m9c h GLY 101 CO 0.40 0.39 -0.46 1.48 0.00 0.00 0.00 176.54 178.34 1m9c h SER 102 N 1.05 0.00 -0.12 0.19 4.64 -1.95 -0.31 113.55 117.05 1m9c h SER 102 Ca 0.30 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.40 1m9c h SER 102 Cb -0.10 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.01 1m9c h SER 102 CO -0.07 0.46 -0.77 0.44 -0.87 0.00 0.00 176.83 176.02 1m9c h ASP 103 N 0.00 0.88 -0.93 4.97 3.45 -1.64 0.14 116.42 123.29 1m9c h ASP 103 Ca -0.00 -0.65 0.05 0.00 0.43 0.00 0.00 57.03 56.85 1m9c h ASP 103 Cb 0.95 -0.26 -0.06 0.00 -0.56 0.00 0.00 39.33 39.40 1m9c h ASP 103 CO 0.06 1.39 0.61 0.40 -1.57 0.00 0.00 179.24 180.13 1m9c h ILE 104 N 0.43 1.12 -0.09 0.35 2.04 0.58 -1.82 117.51 120.12 1m9c h ILE 104 Ca -0.06 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.41 1m9c h ILE 104 Cb 1.41 -0.10 0.00 0.00 -0.74 0.00 0.00 36.82 37.39 1m9c h ILE 104 CO 0.16 0.20 0.00 0.00 0.00 0.00 0.00 178.15 178.51 1m9c n ALA 105 N -2.39 2.52 -0.92 1.87 0.00 -0.24 -4.71 120.51 116.64 1m9c n ALA 105 Ca 0.13 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1m9c n ALA 105 Cb 0.15 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.52 1m9c n ALA 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1m9c n GLY 106 N 0.76 0.53 0.11 0.00 0.00 -0.68 -4.88 105.19 101.03 1m9c n GLY 106 Ca 0.08 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.94 1m9c n GLY 106 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1m9c h THR 107 N 0.00 1.48 -0.67 2.61 2.02 -0.99 -3.25 112.91 114.11 1m9c h THR 107 Ca 0.00 -1.86 0.00 0.00 0.77 0.00 0.00 66.41 65.32 1m9c h THR 107 Cb 0.14 2.57 0.00 0.00 -1.74 0.00 0.00 68.15 69.12 1m9c h THR 107 CO 0.00 0.52 0.00 0.41 0.37 0.00 0.00 175.52 176.82 1m9c n THR 108 N -4.44 1.25 -4.09 3.16 -1.04 -0.87 -4.98 114.28 103.28 1m9c n THR 108 Ca -0.09 -1.07 -0.14 0.00 -2.04 0.00 0.00 64.05 60.71 1m9c n THR 108 Cb 0.52 0.39 -0.12 0.00 -1.82 0.00 0.00 70.33 69.30 1m9c n THR 108 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1m9c s SER 109 N -0.99 0.97 0.62 8.00 1.04 -1.23 -4.79 113.70 117.32 1m9c s SER 109 Ca 0.47 -0.54 -0.08 0.00 0.48 0.00 0.00 55.95 56.29 1m9c s SER 109 Cb 0.26 0.02 0.01 0.00 0.10 0.00 0.00 66.02 66.41 1m9c s SER 109 CO 0.29 -0.17 0.96 0.42 0.98 0.00 0.00 173.24 175.72 1m9c s THR 110 N -1.30 3.67 0.22 2.02 -4.23 -1.26 -4.83 115.64 109.93 1m9c s THR 110 Ca -0.08 0.18 -0.08 0.00 -1.18 0.00 0.00 61.69 60.53 1m9c s THR 110 Cb -0.10 -3.48 0.20 0.00 1.34 0.00 0.00 72.50 70.45 1m9c s THR 110 CO 0.01 -0.55 1.88 0.25 -0.54 0.00 0.00 174.62 175.67 1m9c h LEU 111 N -0.32 1.02 -0.25 4.79 6.46 -1.98 -0.76 115.31 124.27 1m9c h LEU 111 Ca -0.45 -0.06 0.00 0.00 -0.12 0.00 0.00 57.88 57.25 1m9c h LEU 111 Cb 1.25 -0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 40.91 1m9c h LEU 111 CO 0.62 0.77 0.16 1.56 -0.62 0.00 0.00 178.44 180.93 1m9c h GLN 112 N 1.18 0.33 -0.58 1.25 4.20 -1.99 -0.50 115.11 119.00 1m9c h GLN 112 Ca 0.31 -0.02 -0.06 0.00 0.06 0.00 0.00 58.65 58.94 1m9c h GLN 112 Cb -0.07 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.61 1m9c h GLN 112 CO -0.06 0.24 0.14 0.93 -0.67 0.00 0.00 178.83 179.41 1m9c h GLU 113 N 0.32 0.93 -0.48 1.46 5.08 -1.86 0.53 114.58 120.56 1m9c h GLU 113 Ca 0.09 -0.23 0.04 0.00 -1.00 0.00 0.00 59.36 58.27 1m9c h GLU 113 Cb -0.01 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.07 1m9c h GLU 113 CO -0.02 0.87 0.24 1.96 -1.00 0.00 0.00 179.01 181.06 1m9c h GLN 114 N 0.84 0.45 -0.34 2.33 4.20 -0.54 0.31 115.11 122.37 1m9c h GLN 114 Ca 0.18 -0.03 -0.12 0.00 0.06 0.00 0.00 58.65 58.75 1m9c h GLN 114 Cb 0.36 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 1m9c h GLN 114 CO 0.00 0.30 -0.26 0.82 -0.67 0.00 0.00 178.83 179.02 1m9c h ILE 115 N 0.47 1.27 -0.18 2.54 2.04 -0.93 -1.65 117.51 121.07 1m9c h ILE 115 Ca 0.21 -1.37 0.05 0.00 1.00 0.00 0.00 64.86 64.75 1m9c h ILE 115 Cb 0.13 1.29 -0.07 0.00 -0.74 0.00 0.00 36.82 37.43 1m9c h ILE 115 CO -0.16 0.45 -0.39 1.23 0.00 0.00 0.00 178.15 179.29 1m9c h GLY 116 N 0.98 -0.59 1.35 5.37 0.00 -0.17 1.04 103.07 111.05 1m9c h GLY 116 Ca 0.08 0.48 -0.05 0.00 0.00 0.00 0.00 47.33 47.85 1m9c h GLY 116 CO 0.06 -0.22 0.14 1.49 0.00 0.00 0.00 176.54 178.02 1m9c h TRP 117 N -0.43 0.84 -0.01 5.60 6.55 -0.52 -2.23 115.95 125.75 1m9c h TRP 117 Ca 0.10 -0.07 -0.23 0.00 0.95 0.00 0.00 58.89 59.63 1m9c h TRP 117 Cb 0.60 -0.25 0.02 0.00 -0.86 0.00 0.00 29.16 28.67 1m9c h TRP 117 CO -0.49 0.70 -0.90 0.52 -1.05 0.00 0.00 178.44 177.22 1m9c h MET 118 N 0.79 0.63 0.00 0.49 2.86 -0.45 -2.03 114.93 117.22 1m9c h MET 118 Ca 0.18 -0.66 -0.06 0.00 -2.06 0.00 0.00 59.70 57.10 1m9c h MET 118 Cb 0.27 0.19 -0.01 0.00 0.06 0.00 0.00 31.60 32.11 1m9c h MET 118 CO -0.00 1.26 -0.27 1.15 1.06 0.00 0.00 176.91 180.11 1m9c h THR 119 N 0.26 0.86 -2.81 2.22 2.02 0.12 -3.43 112.91 112.15 1m9c h THR 119 Ca -0.11 -1.04 -0.58 0.00 0.77 0.00 0.00 66.41 65.45 1m9c h THR 119 Cb 1.57 1.62 0.18 0.00 -1.74 0.00 0.00 68.15 69.79 1m9c h THR 119 CO 0.18 0.26 -0.64 1.57 0.37 0.00 0.00 175.52 177.26 1m9c n HIS 120 N -3.75 -1.46 -3.80 3.16 -0.00 -0.84 -4.87 115.22 103.67 1m9c n HIS 120 Ca -0.01 0.38 -0.28 0.00 -0.00 0.00 0.00 57.72 57.80 1m9c n HIS 120 Cb 0.37 -1.85 -0.16 0.00 -0.00 0.00 0.00 29.99 28.34 1m9c n HIS 120 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 1m9c s ASN 121 N -1.25 3.22 0.32 0.26 3.04 -1.26 -1.30 114.94 117.98 1m9c s ASN 121 Ca 0.63 -0.95 -0.28 0.00 0.04 0.00 0.00 52.86 52.30 1m9c s ASN 121 Cb -0.40 -0.78 -0.10 0.00 -1.54 0.00 0.00 41.25 38.44 1m9c s ASN 121 CO 0.60 -0.29 1.16 -2.16 -3.04 0.00 0.00 177.10 173.37 1m9c s PRO 122 N 1.71 4.45 0.56 0.43 0.04 -1.26 -5.15 135.00 135.78 1m9c s PRO 122 Ca -0.02 1.89 -0.15 0.00 0.04 0.00 0.00 61.00 62.76 1m9c s PRO 122 Cb -0.18 -3.03 -0.06 0.00 0.04 0.00 0.00 34.50 31.27 1m9c s PRO 122 CO -0.08 0.01 1.01 -2.14 0.04 0.00 0.00 177.00 175.84 1m9c s PRO 123 N -1.74 3.70 -0.30 0.56 0.02 -0.42 -5.02 135.00 131.79 1m9c s PRO 123 Ca 0.48 0.96 0.03 0.00 0.02 0.00 0.00 61.00 62.50 1m9c s PRO 123 Cb -0.33 -2.10 0.08 0.00 0.02 0.00 0.00 34.50 32.18 1m9c s PRO 123 CO 0.43 -0.49 -0.03 0.42 -0.33 0.00 0.00 177.00 177.00 1m9c s ILE 124 N -2.73 2.20 -1.30 2.83 1.01 -0.77 -5.03 121.20 117.41 1m9c s ILE 124 Ca 0.59 -1.99 -0.15 0.00 0.00 0.00 0.00 60.65 59.11 1m9c s ILE 124 Cb -0.12 -2.47 0.11 0.00 0.01 0.00 0.00 42.46 40.00 1m9c s ILE 124 CO 0.38 -0.32 1.75 -0.81 0.00 0.00 0.00 174.94 175.94 1m9c n PRO 125 N 4.35 3.27 -0.25 2.79 -0.04 -1.26 -3.48 135.00 140.37 1m9c n PRO 125 Ca -0.05 -3.39 -0.01 0.00 -0.04 0.00 0.00 63.50 60.01 1m9c n PRO 125 Cb 0.42 -3.22 0.19 0.00 -0.04 0.00 0.00 33.50 30.85 1m9c n PRO 125 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 1m9c h VAL 126 N 4.71 1.22 -0.24 0.52 -1.51 -1.89 -0.20 116.25 118.86 1m9c h VAL 126 Ca 0.42 -0.47 -0.01 0.00 -1.23 0.00 0.00 66.70 65.41 1m9c h VAL 126 Cb 0.79 0.11 -0.01 0.00 -2.13 0.00 0.00 31.29 30.05 1m9c h VAL 126 CO 1.49 0.23 0.12 1.23 -1.23 0.00 0.00 177.57 179.41 1m9c h GLY 127 N 1.10 0.37 1.33 5.19 0.00 -1.87 -0.25 103.07 108.95 1m9c h GLY 127 Ca 0.28 -0.18 -0.12 0.00 0.00 0.00 0.00 47.33 47.31 1m9c h GLY 127 CO -0.05 0.17 -0.24 -2.09 0.00 0.00 0.00 176.54 174.33 1m9c h GLU 128 N 0.26 0.77 0.03 4.80 4.57 -1.65 -1.63 114.58 121.73 1m9c h GLU 128 Ca 0.08 -0.32 -0.00 0.00 -1.18 0.00 0.00 59.36 57.94 1m9c h GLU 128 Cb 0.11 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.67 1m9c h GLU 128 CO -0.01 0.93 -0.01 0.82 -1.18 0.00 0.00 179.01 179.56 1m9c h ILE 129 N 0.67 1.03 -0.47 2.32 2.04 -0.91 -1.44 117.51 120.74 1m9c h ILE 129 Ca 0.09 -0.17 -0.01 0.00 1.00 0.00 0.00 64.86 65.76 1m9c h ILE 129 Cb 0.75 1.14 -0.02 0.00 -0.74 0.00 0.00 36.82 37.96 1m9c h ILE 129 CO 0.06 0.04 0.26 0.22 0.00 0.00 0.00 178.15 178.73 1m9c h TYR 130 N -0.11 0.65 -0.94 1.37 3.20 -1.03 -2.14 116.97 117.97 1m9c h TYR 130 Ca -0.00 -0.02 0.13 0.00 3.14 0.00 0.00 58.73 61.97 1m9c h TYR 130 Cb 0.10 -0.21 -0.08 0.00 1.54 0.00 0.00 36.73 38.09 1m9c h TYR 130 CO -0.05 0.49 0.60 -0.22 -1.64 0.00 0.00 178.16 177.34 1m9c h LYS 131 N 0.62 0.83 -0.31 1.82 3.64 -1.22 0.18 116.57 122.13 1m9c h LYS 131 Ca 0.17 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.48 1m9c h LYS 131 Cb 0.06 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.68 1m9c h LYS 131 CO -0.03 0.55 0.12 0.00 -2.27 0.00 0.00 179.45 177.82 1m9c h ARG 132 N 0.85 0.46 -0.72 1.90 3.08 -0.68 -1.49 114.38 117.79 1m9c h ARG 132 Ca 0.46 -0.09 -0.02 0.00 0.07 0.00 0.00 59.98 60.41 1m9c h ARG 132 Cb 0.57 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.51 1m9c h ARG 132 CO -0.23 0.48 0.37 -1.49 -1.07 0.00 0.00 179.97 178.04 1m9c h TRP 133 N 0.35 0.99 -0.49 3.04 6.55 -0.45 -2.13 115.95 123.81 1m9c h TRP 133 Ca 0.10 -0.02 -0.01 0.00 0.95 0.00 0.00 58.89 59.91 1m9c h TRP 133 Cb 0.19 -0.31 -0.02 0.00 -0.86 0.00 0.00 29.16 28.15 1m9c h TRP 133 CO -0.00 0.70 0.27 0.82 -1.05 0.00 0.00 178.44 179.18 1m9c h ILE 134 N 1.00 1.17 -0.67 1.49 2.04 -0.36 -1.84 117.51 120.35 1m9c h ILE 134 Ca 0.25 -0.43 -0.02 0.00 1.00 0.00 0.00 64.86 65.66 1m9c h ILE 134 Cb 0.05 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 36.66 1m9c h ILE 134 CO -0.04 0.18 0.33 0.40 0.00 0.00 0.00 178.15 179.02 1m9c h ILE 135 N 0.65 1.21 -0.79 -0.67 1.08 -1.08 0.31 117.51 118.22 1m9c h ILE 135 Ca 0.17 -0.59 -0.04 0.00 -0.39 0.00 0.00 64.86 64.02 1m9c h ILE 135 Cb 0.05 0.35 -0.04 0.00 -3.07 0.00 0.00 36.82 34.11 1m9c h ILE 135 CO -0.03 0.25 0.34 -0.07 -0.69 0.00 0.00 178.15 177.95 1m9c h LEU 136 N 0.95 1.08 -0.52 1.44 3.38 -1.16 -1.28 115.31 119.19 1m9c h LEU 136 Ca 0.23 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 1m9c h LEU 136 Cb 0.08 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 1m9c h LEU 136 CO -0.03 0.94 0.25 1.23 0.09 0.00 0.00 178.44 180.92 1m9c h GLY 137 N 1.14 0.80 1.23 0.83 0.00 0.34 -2.74 103.07 104.68 1m9c h GLY 137 Ca 0.27 -0.40 -0.05 0.00 0.00 0.00 0.00 47.33 47.15 1m9c h GLY 137 CO -0.03 0.38 0.20 1.41 0.00 0.00 0.00 176.54 178.50 1m9c h LEU 138 N 0.69 0.90 -1.12 3.11 3.38 -0.50 -1.19 115.31 120.59 1m9c h LEU 138 Ca 0.18 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1m9c h LEU 138 Cb 0.12 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.60 1m9c h LEU 138 CO -0.02 0.85 0.53 0.78 0.09 0.00 0.00 178.44 180.67 1m9c h ASN 139 N 0.94 0.99 -0.42 -0.43 2.35 -1.01 0.21 115.58 118.21 1m9c h ASN 139 Ca 0.21 -0.04 -0.06 0.00 -0.55 0.00 0.00 56.30 55.86 1m9c h ASN 139 Cb 0.27 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.38 1m9c h ASN 139 CO -0.01 0.74 0.04 0.11 -1.65 0.00 0.00 177.43 176.66 1m9c h LYS 140 N 1.15 0.72 0.19 0.81 1.57 -0.98 -1.44 116.57 118.59 1m9c h LYS 140 Ca 0.31 -0.21 0.01 0.00 -1.87 0.00 0.00 60.65 58.89 1m9c h LYS 140 Cb -0.09 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.12 1m9c h LYS 140 CO -0.06 0.77 -0.28 0.82 -0.57 0.00 0.00 179.45 180.13 1m9c h ILE 141 N 0.56 0.40 -0.03 1.86 2.04 -0.45 -2.15 117.51 119.74 1m9c h ILE 141 Ca 0.12 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.96 1m9c h ILE 141 Cb 0.42 0.40 -0.00 0.00 -0.74 0.00 0.00 36.82 36.90 1m9c h ILE 141 CO 0.01 0.00 -0.10 0.58 0.00 0.00 0.00 178.15 178.64 1m9c h VAL 142 N -0.54 1.09 -0.61 1.67 2.07 -0.98 -1.66 116.25 117.29 1m9c h VAL 142 Ca 0.01 -0.42 -0.04 0.00 0.82 0.00 0.00 66.70 67.07 1m9c h VAL 142 Cb 0.53 1.18 -0.03 0.00 -1.52 0.00 0.00 31.29 31.45 1m9c h VAL 142 CO -0.12 0.12 0.21 0.03 0.02 0.00 0.00 177.57 177.84 1m9c h ARG 143 N 0.05 0.90 0.03 1.57 3.08 -0.93 0.33 114.38 119.41 1m9c h ARG 143 Ca 0.01 -0.16 -0.06 0.00 0.07 0.00 0.00 59.98 59.84 1m9c h ARG 143 Cb 0.21 -0.15 0.01 0.00 0.08 0.00 0.00 29.97 30.11 1m9c h ARG 143 CO 0.01 0.76 -0.26 1.98 -1.07 0.00 0.00 179.97 181.39 1m9c h MET 144 N 0.88 0.13 0.00 0.04 4.05 -0.68 -3.30 114.93 116.05 1m9c h MET 144 Ca 0.20 -0.17 0.00 0.00 -0.28 0.00 0.00 59.70 59.45 1m9c h MET 144 Cb 0.22 0.06 0.00 0.00 -0.80 0.00 0.00 31.60 31.08 1m9c h MET 144 CO -0.01 1.00 -0.71 1.88 0.23 0.00 0.00 176.91 179.29 1m9c h TYR 145 N -0.66 0.00 0.00 1.39 -1.99 -1.40 -3.52 116.97 110.80 1m9c h TYR 145 Ca -0.04 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.69 1m9c h TYR 145 Cb 1.11 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.84 1m9c h TYR 145 CO 0.22 0.00 0.00 0.43 -0.00 0.00 0.00 178.16 178.81