#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1scf h VAL 12 N 0.00 0.97 -0.68 3.44 3.04 -2.04 0.41 116.25 121.39 1scf h VAL 12 Ca 0.00 -0.14 -0.04 0.00 -1.01 0.00 0.00 66.70 65.50 1scf h VAL 12 Cb 0.00 0.52 -0.03 0.00 -2.01 0.00 0.00 31.29 29.77 1scf h VAL 12 CO 0.00 0.08 0.26 0.11 -1.01 0.00 0.00 177.57 177.00 1scf h LYS 13 N 0.42 1.03 0.00 4.17 6.56 -2.06 -2.17 116.57 124.53 1scf h LYS 13 Ca 0.21 -0.20 -0.19 0.00 -1.06 0.00 0.00 60.65 59.41 1scf h LYS 13 Cb 0.30 -0.16 -0.03 0.00 -0.57 0.00 0.00 32.23 31.77 1scf h LYS 13 CO -0.05 0.87 -1.01 -0.44 -2.06 0.00 0.00 179.45 176.75 1scf h ASP 14 N 0.98 0.00 -0.82 0.86 5.19 -1.45 -1.88 116.42 119.30 1scf h ASP 14 Ca 0.23 0.00 0.12 0.00 -0.62 0.00 0.00 57.03 56.76 1scf h ASP 14 Cb 0.24 0.00 -0.08 0.00 0.18 0.00 0.00 39.33 39.66 1scf h ASP 14 CO -0.02 0.82 0.43 0.58 -3.12 0.00 0.00 179.24 177.94 1scf h VAL 15 N 0.00 0.80 -0.59 -1.35 2.07 -1.02 -1.95 116.25 114.21 1scf h VAL 15 Ca -0.06 -0.23 -0.09 0.00 0.82 0.00 0.00 66.70 67.14 1scf h VAL 15 Cb 1.68 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 1scf h VAL 15 CO 0.10 0.12 0.03 0.74 0.02 0.00 0.00 177.57 178.58 1scf h THR 16 N 0.67 1.26 -0.80 2.57 2.02 -1.20 -0.47 112.91 116.96 1scf h THR 16 Ca 0.42 -1.10 -0.02 0.00 0.77 0.00 0.00 66.41 66.49 1scf h THR 16 Cb 0.52 0.81 -0.04 0.00 -1.74 0.00 0.00 68.15 67.69 1scf h THR 16 CO -0.31 0.40 0.44 0.11 0.37 0.00 0.00 175.52 176.52 1scf h LYS 17 N 0.92 1.12 -0.05 6.66 1.57 -1.16 -2.55 116.57 123.07 1scf h LYS 17 Ca 0.17 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1scf h LYS 17 Cb 0.51 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.60 1scf h LYS 17 CO 0.02 0.83 0.04 1.25 -0.57 0.00 0.00 179.45 181.02 1scf h LEU 18 N 1.11 0.06 -1.00 2.94 5.85 -1.10 -0.15 115.31 123.03 1scf h LEU 18 Ca 0.28 -0.00 0.07 0.00 0.84 0.00 0.00 57.88 59.07 1scf h LEU 18 Cb 0.04 -0.02 -0.07 0.00 0.37 0.00 0.00 40.66 40.98 1scf h LEU 18 CO -0.04 0.05 0.64 0.58 -0.34 0.00 0.00 178.44 179.32 1scf h VAL 19 N 0.07 1.07 0.00 1.05 2.07 -1.06 0.20 116.25 119.65 1scf h VAL 19 Ca 0.02 -0.40 -0.09 0.00 0.82 0.00 0.00 66.70 67.05 1scf h VAL 19 Cb -0.01 -0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 29.57 1scf h VAL 19 CO -0.00 0.21 -0.43 0.00 0.02 0.00 0.00 177.57 177.37 1scf h ALA 20 N 1.46 1.01 -0.52 1.67 0.00 -1.12 -2.87 119.26 118.89 1scf h ALA 20 Ca 0.44 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1scf h ALA 20 Cb 0.19 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1scf h ALA 20 CO -0.18 0.54 0.00 0.09 0.00 0.00 0.00 179.25 179.70 1scf n ASN 21 N -3.62 3.64 -4.88 0.00 3.02 -0.10 -4.88 115.26 108.45 1scf n ASN 21 Ca -0.01 -2.00 -0.31 0.00 -0.03 0.00 0.00 54.58 52.24 1scf n ASN 21 Cb 0.53 -0.34 -0.05 0.00 -0.61 0.00 0.00 39.78 39.31 1scf n ASN 21 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1scf s LEU 22 N -1.30 4.20 0.24 3.41 1.43 0.64 -4.99 118.68 122.31 1scf s LEU 22 Ca 0.43 0.21 -0.30 0.00 -1.03 0.00 0.00 54.13 53.44 1scf s LEU 22 Cb 0.24 -2.75 -0.09 0.00 0.03 0.00 0.00 46.19 43.61 1scf s LEU 22 CO 0.32 0.19 1.31 -2.84 0.23 0.00 0.00 176.35 175.57 1scf s PRO 23 N -2.34 4.38 0.56 1.29 0.02 -1.26 -4.91 135.00 132.74 1scf s PRO 23 Ca 0.32 2.11 0.33 0.00 0.02 0.00 0.00 61.00 63.77 1scf s PRO 23 Cb -0.13 -3.15 1.47 0.00 0.02 0.00 0.00 34.50 32.71 1scf s PRO 23 CO 0.24 -0.22 1.81 0.87 -0.33 0.00 0.00 177.00 179.37 1scf h LYS 24 N 4.74 0.00 -0.32 5.54 1.57 -1.95 -2.02 116.57 124.13 1scf h LYS 24 Ca -0.46 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.23 1scf h LYS 24 Cb 1.22 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.47 1scf h LYS 24 CO 0.74 0.00 -0.00 -0.40 -0.57 0.00 0.00 179.45 179.22 1scf n ASP 25 N -4.00 3.32 -1.47 0.86 5.75 -1.26 -4.63 116.55 115.12 1scf n ASP 25 Ca 0.19 -3.34 0.00 0.00 -0.01 0.00 0.00 54.79 51.64 1scf n ASP 25 Cb 1.05 -0.59 0.00 0.00 -1.03 0.00 0.00 41.12 40.55 1scf n ASP 25 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1scf n TYR 26 N -0.79 -0.95 -3.64 2.11 9.36 -0.76 -5.09 117.16 117.39 1scf n TYR 26 Ca 0.28 0.00 -0.03 0.00 3.32 0.00 0.00 57.90 61.46 1scf n TYR 26 Cb 0.98 0.00 -0.07 0.00 -0.63 0.00 0.00 39.34 39.62 1scf n TYR 26 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 1scf s ILE 28 N 0.88 0.00 -0.15 2.97 1.01 0.00 -3.74 121.20 122.18 1scf s ILE 28 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 60.65 60.38 1scf s ILE 28 Cb 0.00 -1.00 -0.01 0.00 0.01 0.00 0.00 42.46 41.46 1scf s ILE 28 CO 0.00 0.00 0.89 -0.89 0.00 0.00 0.00 174.94 174.94 1scf s THR 29 N 0.99 4.85 -0.05 2.92 2.01 -1.26 -0.93 115.64 124.18 1scf s THR 29 Ca -0.05 1.77 -0.00 0.00 0.31 0.00 0.00 61.69 63.71 1scf s THR 29 Cb -0.04 -4.19 0.03 0.00 0.01 0.00 0.00 72.50 68.30 1scf s THR 29 CO -0.13 0.02 -0.01 -0.22 -0.69 0.00 0.00 174.62 173.60 1scf s LEU 30 N 2.07 1.00 -0.89 4.42 2.96 0.01 -4.67 118.68 123.58 1scf s LEU 30 Ca 0.42 -0.07 -0.24 0.00 -0.22 0.00 0.00 54.13 54.01 1scf s LEU 30 Cb -0.17 -0.35 -0.01 0.00 0.50 0.00 0.00 46.19 46.16 1scf s LEU 30 CO 0.14 -0.12 1.75 -0.54 -1.32 0.00 0.00 176.35 176.26 1scf s LYS 31 N 1.32 2.91 0.29 1.98 1.02 -1.26 -0.59 119.74 125.41 1scf s LYS 31 Ca -0.05 -0.43 -0.28 0.00 0.02 0.00 0.00 55.97 55.23 1scf s LYS 31 Cb -0.13 -5.02 -0.09 0.00 -0.52 0.00 0.00 37.83 32.06 1scf s LYS 31 CO -0.02 -2.88 0.96 -0.47 -0.92 0.00 0.00 175.35 172.02 1scf s TYR 32 N 8.19 3.79 -0.31 3.18 5.04 -1.10 -4.85 117.35 131.29 1scf s TYR 32 Ca 0.60 1.83 -0.20 0.00 -2.44 0.00 0.00 57.07 56.86 1scf s TYR 32 Cb -0.05 -2.99 -0.01 0.00 0.35 0.00 0.00 41.96 39.26 1scf s TYR 32 CO -0.00 0.21 0.60 0.08 -1.34 0.00 0.00 175.55 175.10 1scf s VAL 33 N -1.40 4.95 0.00 3.14 1.01 -1.26 -4.29 120.40 122.56 1scf s VAL 33 Ca 0.46 0.76 -0.34 0.00 0.00 0.00 0.00 61.98 62.87 1scf s VAL 33 Cb -0.23 -3.99 -0.12 0.00 0.00 0.00 0.00 36.38 32.04 1scf s VAL 33 CO 0.29 -0.15 1.79 -2.65 0.00 0.00 0.00 175.10 174.38 1scf n PRO 34 N 5.85 2.21 -1.94 2.72 -0.02 -1.26 -4.83 135.00 137.73 1scf n PRO 34 Ca -0.02 0.81 -0.00 0.00 -2.02 0.00 0.00 63.50 62.27 1scf n PRO 34 Cb 0.49 -2.63 -0.00 0.00 -0.02 0.00 0.00 33.50 31.34 1scf n PRO 34 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1scf n GLY 35 N 4.08 -4.90 2.61 -1.23 0.00 -1.26 -4.98 105.19 99.51 1scf n GLY 35 Ca 0.21 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1scf n GLY 35 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1scf n ASP 37 N 1.26 0.00 -0.04 1.61 5.75 -1.26 -3.33 116.55 120.54 1scf n ASP 37 Ca -0.01 0.00 -0.07 0.00 -0.01 0.00 0.00 54.79 54.69 1scf n ASP 37 Cb 0.02 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.08 1scf n ASP 37 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 1scf n VAL 38 N 0.00 1.27 -1.66 2.12 0.31 -1.26 -5.00 118.33 114.11 1scf n VAL 38 Ca 0.00 0.16 -0.42 0.00 -0.01 0.00 0.00 64.34 64.07 1scf n VAL 38 Cb 0.00 -1.95 0.00 0.00 -0.91 0.00 0.00 33.84 30.98 1scf n VAL 38 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1scf n LEU 39 N -3.96 3.16 -4.76 7.52 4.32 -1.21 -4.93 117.00 117.15 1scf n LEU 39 Ca -0.13 1.14 -0.32 0.00 -0.02 0.00 0.00 56.01 56.68 1scf n LEU 39 Cb 0.38 -1.43 0.08 0.00 -1.62 0.00 0.00 43.42 40.83 1scf n LEU 39 CO 0.09 -0.91 0.73 -2.16 -1.22 0.00 0.00 177.39 173.92 1scf s PRO 40 N -1.94 2.37 0.22 3.23 0.04 -1.26 -4.88 135.00 132.78 1scf s PRO 40 Ca 0.59 1.35 -0.20 0.00 0.04 0.00 0.00 61.00 62.79 1scf s PRO 40 Cb -0.57 -1.90 0.19 0.00 0.04 0.00 0.00 34.50 32.26 1scf s PRO 40 CO 0.59 -1.58 1.55 0.66 0.04 0.00 0.00 177.00 178.27 1scf h SER 41 N -0.61 -1.55 -0.04 6.66 4.64 -1.91 -0.33 113.55 120.40 1scf h SER 41 Ca -0.45 0.31 0.01 0.00 -0.47 0.00 0.00 61.79 61.19 1scf h SER 41 Cb 1.25 0.79 -0.00 0.00 -0.31 0.00 0.00 62.40 64.12 1scf h SER 41 CO 0.51 -0.28 0.19 1.12 -0.87 0.00 0.00 176.83 177.51 1scf h HIS 42 N -0.00 0.00 -0.28 4.77 2.07 -1.92 -0.27 115.15 119.51 1scf h HIS 42 Ca 0.31 0.00 -0.19 0.00 -2.85 0.00 0.00 60.37 57.65 1scf h HIS 42 Cb 0.57 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.55 1scf h HIS 42 CO -0.90 0.00 -0.55 0.00 -3.07 0.00 0.00 177.93 173.41 1scf n TRP 44 N -4.02 0.00 -0.29 0.00 4.27 -0.65 -4.79 117.44 111.95 1scf n TRP 44 Ca -0.05 0.00 0.12 0.00 -3.89 0.00 0.00 57.50 53.69 1scf n TRP 44 Cb 0.63 -0.11 0.36 0.00 -1.36 0.00 0.00 31.31 30.84 1scf n TRP 44 CO 0.00 0.00 0.00 0.97 -2.29 0.00 0.00 177.69 176.37 1scf h ILE 45 N 0.00 0.81 -0.21 -1.67 6.09 -1.33 -2.93 117.51 118.27 1scf h ILE 45 Ca -0.06 -0.25 -0.01 0.00 -1.37 0.00 0.00 64.86 63.18 1scf h ILE 45 Cb 1.04 0.03 -0.01 0.00 0.47 0.00 0.00 36.82 38.36 1scf h ILE 45 CO 0.00 0.13 0.09 0.77 -3.07 0.00 0.00 178.15 176.07 1scf h SER 46 N 0.71 0.28 0.00 2.19 4.64 -1.85 -0.99 113.55 118.53 1scf h SER 46 Ca 0.48 -0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 1scf h SER 46 Cb 0.77 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 1scf h SER 46 CO -0.24 0.36 0.00 1.21 -0.87 0.00 0.00 176.83 177.29 1scf n GLU 47 N -4.83 0.69 0.00 4.77 4.07 -1.11 -4.03 120.64 120.20 1scf n GLU 47 Ca -0.04 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.06 1scf n GLU 47 Cb 0.12 -1.16 0.00 0.00 -0.06 0.00 0.00 31.44 30.34 1scf n GLU 47 CO 0.00 0.00 0.00 1.33 -0.06 0.00 0.00 177.13 178.40 1scf n VAL 49 N 1.10 0.00 0.00 6.31 0.24 -0.38 -1.23 118.33 124.37 1scf n VAL 49 Ca 0.00 0.00 -0.18 0.00 -2.04 0.00 0.00 64.34 62.12 1scf n VAL 49 Cb 0.34 0.00 -0.10 0.00 -1.47 0.00 0.00 33.84 32.62 1scf n VAL 49 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 1scf h VAL 50 N 0.00 1.35 -0.21 3.34 2.07 -1.83 -2.06 116.25 118.90 1scf h VAL 50 Ca 0.00 -2.04 -0.13 0.00 0.82 0.00 0.00 66.70 65.35 1scf h VAL 50 Cb 0.00 2.34 -0.01 0.00 -1.52 0.00 0.00 31.29 32.10 1scf h VAL 50 CO 0.00 0.62 -0.42 1.56 0.02 0.00 0.00 177.57 179.34 1scf h GLN 51 N 0.18 0.51 -0.66 1.57 1.08 -1.51 0.59 115.11 116.86 1scf h GLN 51 Ca -0.08 -0.26 -0.07 0.00 -1.45 0.00 0.00 58.65 56.79 1scf h GLN 51 Cb 1.39 0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 28.79 1scf h GLN 51 CO 0.14 0.84 0.15 -0.07 -0.95 0.00 0.00 178.83 178.94 1scf h LEU 52 N 0.42 1.01 -1.15 1.46 3.38 -1.83 -2.55 115.31 116.04 1scf h LEU 52 Ca 0.03 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 57.73 1scf h LEU 52 Cb 0.91 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 1scf h LEU 52 CO 0.08 0.98 -0.02 -1.28 0.09 0.00 0.00 178.44 178.29 1scf h SER 53 N 1.01 0.54 -0.15 -0.43 0.87 -0.69 -0.48 113.55 114.21 1scf h SER 53 Ca 0.21 -0.11 -0.12 0.00 -1.23 0.00 0.00 61.79 60.53 1scf h SER 53 Cb 0.37 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.20 1scf h SER 53 CO 0.00 0.62 -0.39 0.44 -0.53 0.00 0.00 176.83 176.98 1scf h ASP 54 N 0.54 0.60 -0.96 6.23 3.32 -0.85 -2.81 116.42 122.50 1scf h ASP 54 Ca 0.11 -0.58 0.04 0.00 0.02 0.00 0.00 57.03 56.62 1scf h ASP 54 Cb 0.37 -0.17 -0.06 0.00 0.22 0.00 0.00 39.33 39.69 1scf h ASP 54 CO 0.01 1.07 0.62 0.28 -1.72 0.00 0.00 179.24 179.51 1scf h SER 55 N 0.16 1.03 0.32 6.45 0.02 -1.13 0.07 113.55 120.47 1scf h SER 55 Ca -0.01 -0.01 -0.17 0.00 -0.84 0.00 0.00 61.79 60.77 1scf h SER 55 Cb 1.00 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 63.30 1scf h SER 55 CO 0.08 0.70 -0.69 -0.07 -1.14 0.00 0.00 176.83 175.72 1scf h LEU 56 N 1.20 0.39 -0.33 5.07 3.38 -1.15 0.13 115.31 123.99 1scf h LEU 56 Ca 0.38 -0.24 -0.19 0.00 0.09 0.00 0.00 57.88 57.92 1scf h LEU 56 Cb 0.02 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1scf h LEU 56 CO -0.13 0.96 -0.62 0.74 0.09 0.00 0.00 178.44 179.48 1scf h THR 57 N 0.23 1.30 -0.33 0.22 2.02 -1.18 -1.52 112.91 113.64 1scf h THR 57 Ca -0.02 -1.84 -0.15 0.00 0.77 0.00 0.00 66.41 65.17 1scf h THR 57 Cb 1.24 1.79 -0.01 0.00 -1.74 0.00 0.00 68.15 69.43 1scf h THR 57 CO 0.11 0.59 -0.38 0.44 0.37 0.00 0.00 175.52 176.65 1scf h ASP 58 N 0.55 0.83 -0.07 4.18 5.19 -0.94 -3.05 116.42 123.11 1scf h ASP 58 Ca -0.01 -0.37 -0.03 0.00 -0.62 0.00 0.00 57.03 56.00 1scf h ASP 58 Cb 1.21 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 40.48 1scf h ASP 58 CO 0.13 1.11 -0.03 0.25 -3.12 0.00 0.00 179.24 177.57 1scf h LEU 59 N 0.64 0.24 -1.57 1.55 5.85 -0.88 -2.77 115.31 118.38 1scf h LEU 59 Ca 0.06 -0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.70 1scf h LEU 59 Cb 0.93 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.89 1scf h LEU 59 CO 0.09 0.33 -0.18 0.25 -0.34 0.00 0.00 178.44 178.58 1scf h LEU 60 N 0.26 0.04 -0.20 2.25 5.85 -1.16 -1.67 115.31 120.69 1scf h LEU 60 Ca 0.06 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.77 1scf h LEU 60 Cb 0.24 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.26 1scf h LEU 60 CO 0.01 0.23 0.00 0.47 -0.34 0.00 0.00 178.44 178.80 1scf n ASP 61 N -4.30 0.74 0.00 1.25 8.00 -1.05 -2.29 116.55 118.90 1scf n ASP 61 Ca -0.02 0.60 0.16 0.00 0.71 0.00 0.00 54.79 56.23 1scf n ASP 61 Cb 0.26 -0.78 0.90 0.00 -0.02 0.00 0.00 41.12 41.47 1scf n ASP 61 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1scf n LYS 62 N -2.22 0.88 -4.42 -1.24 4.76 -0.63 -4.85 118.16 110.44 1scf n LYS 62 Ca 0.05 0.00 -0.21 0.00 -2.87 0.00 0.00 58.31 55.27 1scf n LYS 62 Cb 0.37 -1.50 -0.10 0.00 -1.84 0.00 0.00 35.03 31.96 1scf n LYS 62 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1scf s PHE 63 N -2.10 1.98 -0.03 2.13 0.08 -0.97 -5.12 117.98 113.94 1scf s PHE 63 Ca 0.44 -0.60 0.05 0.00 0.12 0.00 0.00 56.93 56.93 1scf s PHE 63 Cb 0.21 -1.05 -0.01 0.00 -0.57 0.00 0.00 43.02 41.61 1scf s PHE 63 CO 0.38 0.38 -0.18 0.45 -0.10 0.00 0.00 175.22 176.15 1scf s SER 64 N -3.44 2.22 0.71 1.36 0.15 -1.26 -4.94 113.70 108.50 1scf s SER 64 Ca 0.28 -0.36 -0.14 0.00 0.70 0.00 0.00 55.95 56.43 1scf s SER 64 Cb 0.01 -0.48 0.03 0.00 -1.71 0.00 0.00 66.02 63.87 1scf s SER 64 CO 0.11 0.19 1.14 0.21 1.20 0.00 0.00 173.24 176.09 1scf s ASN 65 N -0.15 4.63 -0.01 5.45 2.47 -1.26 -4.62 114.94 121.46 1scf s ASN 65 Ca 0.00 2.12 0.00 0.00 0.42 0.00 0.00 52.86 55.40 1scf s ASN 65 Cb -0.10 -2.56 0.01 0.00 -1.45 0.00 0.00 41.25 37.14 1scf s ASN 65 CO 0.01 -1.96 0.00 -0.63 -3.72 0.00 0.00 177.10 170.81 1scf s ILE 66 N -2.28 0.03 0.16 -5.21 1.01 -1.26 -5.06 121.20 108.60 1scf s ILE 66 Ca 0.69 0.03 -0.15 0.00 0.00 0.00 0.00 60.65 61.22 1scf s ILE 66 Cb -0.23 -0.07 0.04 0.00 0.01 0.00 0.00 42.46 42.21 1scf s ILE 66 CO 0.45 0.04 1.78 0.77 0.00 0.00 0.00 174.94 177.97 1scf h SER 67 N 6.44 0.29 -3.70 3.58 4.64 -2.05 -3.43 113.55 119.32 1scf h SER 67 Ca -0.30 0.02 -0.31 0.00 -0.47 0.00 0.00 61.79 60.73 1scf h SER 67 Cb 1.19 -0.03 -0.30 0.00 -0.31 0.00 0.00 62.40 62.94 1scf h SER 67 CO 0.50 0.21 -0.74 -1.61 -0.87 0.00 0.00 176.83 174.32 1scf s GLU 68 N -6.15 0.28 0.00 4.77 0.41 -1.26 -5.05 118.70 111.70 1scf s GLU 68 Ca -0.13 -0.04 0.00 0.00 -0.41 0.00 0.00 54.97 54.39 1scf s GLU 68 Cb 0.12 -0.35 0.00 0.00 -1.78 0.00 0.00 34.13 32.13 1scf s GLU 68 CO 0.72 -0.01 0.00 0.41 -0.49 0.00 0.00 175.26 175.89 1scf n GLY 69 N 3.45 2.52 3.59 -1.39 0.00 -1.26 -4.96 105.19 107.14 1scf n GLY 69 Ca -0.18 -1.64 -0.42 0.00 0.00 0.00 0.00 46.02 43.77 1scf n GLY 69 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1scf s LEU 70 N 0.00 3.51 0.45 0.99 2.96 -1.26 -4.88 118.68 120.45 1scf s LEU 70 Ca 0.00 0.48 0.04 0.00 -0.22 0.00 0.00 54.13 54.43 1scf s LEU 70 Cb 0.00 -3.32 0.01 0.00 0.50 0.00 0.00 46.19 43.39 1scf s LEU 70 CO 0.00 -1.52 0.64 -0.94 -1.32 0.00 0.00 176.35 173.21 1scf s SER 71 N 3.81 5.62 0.31 3.68 1.04 -1.26 -4.96 113.70 121.94 1scf s SER 71 Ca 0.54 -0.11 0.02 0.00 0.48 0.00 0.00 55.95 56.88 1scf s SER 71 Cb -0.11 -1.00 0.50 0.00 0.10 0.00 0.00 66.02 65.52 1scf s SER 71 CO 0.29 -0.81 1.82 0.78 0.98 0.00 0.00 173.24 176.29 1scf h ASN 72 N 0.46 0.56 0.17 7.02 2.35 -1.95 -1.60 115.58 122.59 1scf h ASN 72 Ca -0.43 -0.13 0.01 0.00 -0.55 0.00 0.00 56.30 55.20 1scf h ASN 72 Cb 1.28 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 39.48 1scf h ASN 72 CO 0.51 0.66 -0.20 0.22 -1.65 0.00 0.00 177.43 176.97 1scf h TYR 73 N 0.55 -0.53 -0.22 1.19 5.03 -1.91 0.74 116.97 121.82 1scf h TYR 73 Ca 0.11 0.01 0.03 0.00 2.58 0.00 0.00 58.73 61.46 1scf h TYR 73 Cb 0.42 0.21 -0.03 0.00 1.55 0.00 0.00 36.73 38.87 1scf h TYR 73 CO 0.02 -0.30 0.02 1.03 -1.32 0.00 0.00 178.16 177.61 1scf h SER 74 N -0.41 -0.04 -0.54 -2.11 0.87 -1.83 0.15 113.55 109.63 1scf h SER 74 Ca 0.01 0.04 -0.03 0.00 -1.23 0.00 0.00 61.79 60.58 1scf h SER 74 Cb 0.40 0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.41 1scf h SER 74 CO -0.07 0.01 0.21 0.40 -0.53 0.00 0.00 176.83 176.85 1scf h ILE 75 N 0.10 1.22 -0.10 2.23 2.04 -1.19 -2.80 117.51 119.01 1scf h ILE 75 Ca 0.10 -0.71 -0.15 0.00 1.00 0.00 0.00 64.86 65.10 1scf h ILE 75 Cb 0.12 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 1scf h ILE 75 CO -0.16 0.27 -0.61 0.40 0.00 0.00 0.00 178.15 178.05 1scf h ILE 76 N 0.74 1.37 -0.51 -0.67 2.04 -0.39 -2.49 117.51 117.59 1scf h ILE 76 Ca 0.18 -1.96 0.07 0.00 1.00 0.00 0.00 64.86 64.15 1scf h ILE 76 Cb 0.22 1.96 -0.06 0.00 -0.74 0.00 0.00 36.82 38.20 1scf h ILE 76 CO -0.01 0.59 0.18 -0.78 0.00 0.00 0.00 178.15 178.13 1scf h ASP 77 N 0.25 0.19 -0.57 1.72 3.58 -0.55 -1.29 116.42 119.75 1scf h ASP 77 Ca -0.01 0.06 0.04 0.00 0.42 0.00 0.00 57.03 57.55 1scf h ASP 77 Cb 1.13 0.05 -0.04 0.00 1.72 0.00 0.00 39.33 42.18 1scf h ASP 77 CO 0.10 0.13 0.32 0.11 -2.88 0.00 0.00 179.24 177.02 1scf h LYS 78 N 0.36 0.60 -0.68 0.28 6.56 -1.32 -2.42 116.57 119.95 1scf h LYS 78 Ca 0.25 -0.04 -0.08 0.00 -1.06 0.00 0.00 60.65 59.72 1scf h LYS 78 Cb 0.27 -0.13 -0.03 0.00 -0.57 0.00 0.00 32.23 31.77 1scf h LYS 78 CO -0.25 0.40 0.12 -0.07 -2.06 0.00 0.00 179.45 177.58 1scf h LEU 79 N 0.62 1.08 -0.64 2.94 3.38 -0.93 -0.46 115.31 121.29 1scf h LEU 79 Ca 0.24 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1scf h LEU 79 Cb 0.10 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 1scf h LEU 79 CO -0.14 1.06 0.40 0.58 0.09 0.00 0.00 178.44 180.43 1scf h VAL 80 N 1.05 1.18 -0.44 1.22 2.07 -1.17 -0.79 116.25 119.38 1scf h VAL 80 Ca 0.21 -0.39 -0.07 0.00 0.82 0.00 0.00 66.70 67.27 1scf h VAL 80 Cb 0.44 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 1scf h VAL 80 CO 0.01 0.19 0.02 0.78 0.02 0.00 0.00 177.57 178.59 1scf h ASN 81 N 0.87 0.75 -0.78 0.57 2.35 -0.88 -0.77 115.58 117.69 1scf h ASN 81 Ca 0.23 -0.29 -0.01 0.00 -0.55 0.00 0.00 56.30 55.68 1scf h ASN 81 Cb -0.04 -0.20 -0.04 0.00 0.05 0.00 0.00 38.32 38.09 1scf h ASN 81 CO -0.05 0.86 0.46 0.40 -1.65 0.00 0.00 177.43 177.45 1scf h ILE 82 N 0.62 1.22 -0.06 2.81 2.04 -0.75 -2.61 117.51 120.79 1scf h ILE 82 Ca 0.13 -0.51 -0.17 0.00 1.00 0.00 0.00 64.86 65.31 1scf h ILE 82 Cb 0.46 0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.68 1scf h ILE 82 CO 0.02 0.24 -0.70 0.58 0.00 0.00 0.00 178.15 178.29 1scf h VAL 83 N 1.07 1.41 -0.62 1.67 2.07 -0.91 -3.08 116.25 117.86 1scf h VAL 83 Ca 0.28 -2.17 -0.07 0.00 0.82 0.00 0.00 66.70 65.56 1scf h VAL 83 Cb -0.02 2.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.86 1scf h VAL 83 CO -0.05 0.64 0.12 0.44 0.02 0.00 0.00 177.57 178.74 1scf h ASP 84 N 0.19 0.94 -0.87 0.57 3.32 -1.01 -1.24 116.42 118.32 1scf h ASP 84 Ca -0.02 -0.20 0.13 0.00 0.02 0.00 0.00 57.03 56.95 1scf h ASP 84 Cb 1.25 -0.25 -0.07 0.00 0.22 0.00 0.00 39.33 40.48 1scf h ASP 84 CO 0.11 0.93 0.56 0.44 -1.72 0.00 0.00 179.24 179.57 1scf h ASP 85 N 0.94 0.68 1.24 6.45 5.19 -1.39 -1.17 116.42 128.35 1scf h ASP 85 Ca 0.19 0.03 -0.15 0.00 -0.62 0.00 0.00 57.03 56.48 1scf h ASP 85 Cb 0.38 -0.10 -0.02 0.00 0.18 0.00 0.00 39.33 39.77 1scf h ASP 85 CO 0.01 0.37 -0.73 -0.07 -3.12 0.00 0.00 179.24 175.70 1scf h LEU 86 N 0.73 0.00 -0.19 1.55 3.38 -1.37 -0.85 115.31 118.57 1scf h LEU 86 Ca 0.43 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.37 1scf h LEU 86 Cb 0.61 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 1scf h LEU 86 CO -0.19 0.73 0.02 0.58 0.09 0.00 0.00 178.44 179.67 1scf h VAL 87 N 0.00 1.24 0.00 1.22 2.07 -0.88 -0.52 116.25 119.38 1scf h VAL 87 Ca -0.01 -0.78 -0.09 0.00 0.82 0.00 0.00 66.70 66.64 1scf h VAL 87 Cb 1.54 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 32.68 1scf h VAL 87 CO 0.09 0.24 -0.41 -0.33 0.02 0.00 0.00 177.57 177.18 1scf h GLU 88 N 0.10 0.00 0.00 1.57 4.39 -1.25 -2.95 114.58 116.44 1scf h GLU 88 Ca 0.06 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.64 1scf h GLU 88 Cb 0.34 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.98 1scf h GLU 88 CO 0.01 0.41 -0.53 0.00 -1.16 0.00 0.00 179.01 177.73 1scf h VAL 90 N 0.00 1.33 -1.98 0.00 2.07 -0.92 -3.50 116.25 113.25 1scf h VAL 90 Ca -0.01 -1.74 -0.51 0.00 0.82 0.00 0.00 66.70 65.26 1scf h VAL 90 Cb 1.18 1.78 -0.01 0.00 -1.52 0.00 0.00 31.29 32.72 1scf h VAL 90 CO 0.07 0.53 1.45 -0.75 0.02 0.00 0.00 177.57 178.89 1scf s LYS 91 N -4.01 2.63 -0.48 1.57 2.20 -1.20 -5.11 119.74 115.34 1scf s LYS 91 Ca -0.06 1.20 0.03 0.00 -0.36 0.00 0.00 55.97 56.78 1scf s LYS 91 Cb 0.12 -4.42 0.15 0.00 -1.51 0.00 0.00 37.83 32.17 1scf s LYS 91 CO 0.81 -2.69 0.29 -1.54 -0.36 0.00 0.00 175.35 171.86 1scf s SER 104 N 9.18 3.54 1.08 1.43 1.04 -1.26 -5.16 113.70 123.55 1scf s SER 104 Ca 0.84 -2.89 -0.14 0.00 0.48 0.00 0.00 55.95 54.23 1scf s SER 104 Cb -0.18 -1.06 0.23 0.00 0.10 0.00 0.00 66.02 65.10 1scf s SER 104 CO 0.27 -0.22 1.09 -2.16 0.98 0.00 0.00 173.24 173.19 1scf s PRO 105 N 0.01 -0.19 0.16 4.02 0.04 -1.26 -5.03 135.00 132.75 1scf s PRO 105 Ca 0.21 0.36 -0.30 0.00 0.04 0.00 0.00 61.00 61.31 1scf s PRO 105 Cb -0.17 -1.68 -0.07 0.00 0.04 0.00 0.00 34.50 32.62 1scf s PRO 105 CO -0.05 -3.11 0.94 -1.21 0.04 0.00 0.00 177.00 173.60 1scf s GLU 106 N -5.05 4.75 0.03 4.56 0.41 -1.26 -4.80 118.70 117.35 1scf s GLU 106 Ca 0.67 1.44 -0.30 0.00 -0.41 0.00 0.00 54.97 56.36 1scf s GLU 106 Cb -0.17 -3.33 -0.06 0.00 -1.78 0.00 0.00 34.13 28.79 1scf s GLU 106 CO 0.58 0.36 1.29 -2.14 -0.49 0.00 0.00 175.26 174.86 1scf s PRO 107 N -0.54 4.35 0.35 0.39 0.02 -1.26 -2.72 135.00 135.59 1scf s PRO 107 Ca 0.44 1.87 0.09 0.00 0.02 0.00 0.00 61.00 63.42 1scf s PRO 107 Cb -0.24 -3.43 -0.07 0.00 0.02 0.00 0.00 34.50 30.78 1scf s PRO 107 CO 0.30 -0.42 -0.08 1.03 -0.33 0.00 0.00 177.00 177.50 1scf s ARG 108 N 1.66 1.84 -0.10 5.54 0.52 0.25 -4.95 118.95 123.70 1scf s ARG 108 Ca 0.61 -1.94 0.02 0.00 -0.52 0.00 0.00 55.73 53.90 1scf s ARG 108 Cb -0.31 -1.71 -0.01 0.00 0.52 0.00 0.00 34.95 33.44 1scf s ARG 108 CO 0.27 0.13 -0.17 -0.51 0.02 0.00 0.00 175.30 175.04 1scf s LEU 109 N -3.62 2.49 0.09 2.53 1.43 -1.26 -0.81 118.68 119.53 1scf s LEU 109 Ca 0.33 -0.38 0.05 0.00 -1.03 0.00 0.00 54.13 53.10 1scf s LEU 109 Cb 0.03 -1.52 -0.03 0.00 0.03 0.00 0.00 46.19 44.69 1scf s LEU 109 CO 0.17 0.21 -0.14 -0.36 0.23 0.00 0.00 176.35 176.46 1scf s PHE 110 N 0.05 1.24 0.82 0.29 0.08 -0.11 -4.92 117.98 115.44 1scf s PHE 110 Ca -0.07 -0.51 -0.12 0.00 0.12 0.00 0.00 56.93 56.36 1scf s PHE 110 Cb -0.15 -0.68 0.08 0.00 -0.57 0.00 0.00 43.02 41.70 1scf s PHE 110 CO 0.05 0.07 1.10 0.95 -0.10 0.00 0.00 175.22 177.29 1scf s THR 111 N -1.65 2.93 0.22 0.64 -4.23 -1.26 -0.82 115.64 111.47 1scf s THR 111 Ca 0.02 0.30 -0.12 0.00 -1.18 0.00 0.00 61.69 60.71 1scf s THR 111 Cb -0.08 -3.02 0.24 0.00 1.34 0.00 0.00 72.50 70.98 1scf s THR 111 CO 0.02 -0.39 1.63 -0.65 -0.54 0.00 0.00 174.62 174.69 1scf h PRO 112 N -1.17 0.04 -0.27 3.99 0.11 -1.82 -0.73 132.00 132.14 1scf h PRO 112 Ca -0.48 -0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.66 1scf h PRO 112 Cb 1.28 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.35 1scf h PRO 112 CO 0.59 0.02 0.08 0.93 -0.21 0.00 0.00 178.00 179.42 1scf h GLU 113 N 0.04 0.19 -0.20 1.05 5.08 -1.92 1.00 114.58 119.82 1scf h GLU 113 Ca 0.33 -0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.58 1scf h GLU 113 Cb 0.53 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 1scf h GLU 113 CO -0.64 0.13 -0.32 0.93 -1.00 0.00 0.00 179.01 178.12 1scf h GLU 114 N 0.20 0.40 -0.04 2.33 5.08 -1.84 -1.74 114.58 118.97 1scf h GLU 114 Ca 0.12 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1scf h GLU 114 Cb 0.10 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 1scf h GLU 114 CO -0.14 0.67 -0.01 0.35 -1.00 0.00 0.00 179.01 178.89 1scf h PHE 115 N 0.34 0.08 0.00 4.33 3.57 -0.70 -3.10 116.94 121.46 1scf h PHE 115 Ca 0.04 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1scf h PHE 115 Cb 0.73 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.45 1scf h PHE 115 CO 0.02 0.40 0.00 1.19 -2.23 0.00 0.00 178.31 177.69 1scf n PHE 116 N -4.87 0.46 -0.04 0.41 3.72 0.31 -1.92 117.46 115.53 1scf n PHE 116 Ca -0.07 0.15 -0.14 0.00 -0.05 0.00 0.00 57.45 57.34 1scf n PHE 116 Cb 0.20 -0.75 -0.08 0.00 -0.94 0.00 0.00 39.48 37.91 1scf n PHE 116 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 1scf h ARG 117 N 0.00 0.30 -0.65 -1.08 2.43 -1.32 -0.61 114.38 113.45 1scf h ARG 117 Ca 0.00 -0.18 -0.01 0.00 -0.81 0.00 0.00 59.98 58.97 1scf h ARG 117 Cb 0.50 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.04 1scf h ARG 117 CO 0.00 0.76 0.36 0.82 -1.51 0.00 0.00 179.97 180.40 1scf h ILE 118 N -0.13 1.21 0.50 1.20 2.04 -1.37 -1.91 117.51 119.04 1scf h ILE 118 Ca 0.01 -0.51 -0.02 0.00 1.00 0.00 0.00 64.86 65.34 1scf h ILE 118 Cb 0.74 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 1scf h ILE 118 CO 0.04 0.22 -0.35 0.15 0.00 0.00 0.00 178.15 178.21 1scf h PHE 119 N 0.89 -0.93 -0.93 1.37 3.57 -1.29 -0.96 116.94 118.67 1scf h PHE 119 Ca 0.23 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.78 1scf h PHE 119 Cb 0.04 0.34 -0.06 0.00 2.79 0.00 0.00 35.95 39.05 1scf h PHE 119 CO -0.01 -0.52 0.60 -0.91 -2.23 0.00 0.00 178.31 175.24 1scf h ASN 120 N -0.82 0.96 -0.67 0.41 -0.26 -1.09 -1.43 115.58 112.68 1scf h ASN 120 Ca -0.05 0.01 0.02 0.00 -0.56 0.00 0.00 56.30 55.71 1scf h ASN 120 Cb 0.69 -0.20 -0.04 0.00 -1.06 0.00 0.00 38.32 37.71 1scf h ASN 120 CO 0.03 0.63 0.44 -0.09 -1.06 0.00 0.00 177.43 177.38 1scf h ARG 121 N 1.11 0.83 -0.29 0.81 2.43 -1.26 -1.90 114.38 116.11 1scf h ARG 121 Ca 0.39 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.47 1scf h ARG 121 Cb 0.11 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 1scf h ARG 121 CO -0.15 0.55 0.02 0.77 -1.51 0.00 0.00 179.97 179.64 1scf h SER 122 N 0.86 0.49 0.96 -3.80 0.02 -0.11 -2.04 113.55 109.93 1scf h SER 122 Ca 0.26 -0.29 -0.10 0.00 -0.84 0.00 0.00 61.79 60.82 1scf h SER 122 Cb -0.02 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.37 1scf h SER 122 CO -0.06 0.66 -0.46 0.40 -1.14 0.00 0.00 176.83 176.23 1scf h ILE 123 N 0.30 0.97 0.00 3.27 1.08 -1.37 -3.06 117.51 118.70 1scf h ILE 123 Ca 0.08 -1.81 0.00 0.00 -0.39 0.00 0.00 64.86 62.74 1scf h ILE 123 Cb 0.40 2.09 0.00 0.00 -3.07 0.00 0.00 36.82 36.24 1scf h ILE 123 CO 0.01 0.45 -0.18 0.47 -0.69 0.00 0.00 178.15 178.21 1scf n ASP 124 N -3.48 0.76 -0.01 1.72 9.92 -0.72 -2.91 116.55 121.82 1scf n ASP 124 Ca 0.00 0.44 0.00 0.00 -0.53 0.00 0.00 54.79 54.70 1scf n ASP 124 Cb 0.59 -0.51 0.00 0.00 -0.64 0.00 0.00 41.12 40.55 1scf n ASP 124 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1scf n ALA 125 N -1.78 2.12 0.58 2.24 0.00 -0.77 -5.07 120.51 117.83 1scf n ALA 125 Ca 0.05 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.56 1scf n ALA 125 Cb 0.43 -1.00 0.06 0.00 0.00 0.00 0.00 19.45 18.94 1scf n ALA 125 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69