#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a3j s PRO 23 N 0.00 3.57 0.70 -2.82 0.04 -1.26 -5.00 135.00 130.22 2a3j s PRO 23 Ca 0.00 1.45 -0.12 0.00 0.04 0.00 0.00 61.00 62.38 2a3j s PRO 23 Cb 0.00 -4.10 0.17 0.00 0.04 0.00 0.00 34.50 30.61 2a3j s PRO 23 CO 0.00 -1.57 0.62 -0.35 0.04 0.00 0.00 177.00 175.74 2a3j n PRO 24 N 8.05 -2.24 -2.83 0.56 -0.04 -1.26 -4.75 135.00 132.50 2a3j n PRO 24 Ca 0.20 -0.99 -0.02 0.00 -0.04 0.00 0.00 63.50 62.65 2a3j n PRO 24 Cb 0.46 -0.93 0.00 0.00 -0.04 0.00 0.00 33.50 32.99 2a3j n PRO 24 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2a3j n HIS 25 N -3.85 -3.30 0.02 0.54 8.25 -1.26 -4.92 115.22 110.70 2a3j n HIS 25 Ca 0.09 1.44 -0.12 0.00 -0.26 0.00 0.00 57.72 58.87 2a3j n HIS 25 Cb 0.33 -3.50 -0.08 0.00 1.12 0.00 0.00 29.99 27.86 2a3j n HIS 25 CO 0.00 0.00 0.00 1.79 0.64 0.00 0.00 176.34 178.77 2a3j h THR 26 N 3.01 1.16 -4.07 1.59 1.35 -2.04 -3.46 112.91 110.45 2a3j h THR 26 Ca -0.01 -0.48 -0.12 0.00 -0.55 0.00 0.00 66.41 65.24 2a3j h THR 26 Cb 0.31 1.49 -0.16 0.00 -1.73 0.00 0.00 68.15 68.06 2a3j h THR 26 CO 0.10 0.12 -0.62 -1.83 -0.25 0.00 0.00 175.52 173.05 2a3j s GLU 27 N -5.37 0.59 0.85 4.72 1.03 -1.26 -5.16 118.70 114.09 2a3j s GLU 27 Ca -0.14 -1.01 -0.11 0.00 0.03 0.00 0.00 54.97 53.73 2a3j s GLU 27 Cb 0.04 0.22 0.10 0.00 -0.80 0.00 0.00 34.13 33.69 2a3j s GLU 27 CO 0.67 -0.13 1.09 -1.25 -1.33 0.00 0.00 175.26 174.31 2a3j s PRO 28 N -3.31 1.65 -0.30 -4.83 0.04 -1.26 -5.06 135.00 121.93 2a3j s PRO 28 Ca 0.01 0.96 0.06 0.00 0.04 0.00 0.00 61.00 62.07 2a3j s PRO 28 Cb 0.03 -1.84 0.20 0.00 0.04 0.00 0.00 34.50 32.93 2a3j s PRO 28 CO -0.08 -2.00 0.59 -1.12 0.04 0.00 0.00 177.00 174.42 2a3j s SER 29 N -3.41 -1.55 0.00 6.66 0.01 -1.26 -4.82 113.70 109.33 2a3j s SER 29 Ca 0.62 0.09 0.31 0.00 1.31 0.00 0.00 55.95 58.29 2a3j s SER 29 Cb -0.18 2.00 1.76 0.00 0.21 0.00 0.00 66.02 69.81 2a3j s SER 29 CO 0.57 -0.29 2.15 0.00 0.41 0.00 0.00 173.24 176.08 2a3j n GLN 30 N 5.34 1.01 -4.47 12.44 6.02 -1.26 -3.85 117.38 132.61 2a3j n GLN 30 Ca 0.05 -0.11 -0.30 0.00 -0.01 0.00 0.00 57.00 56.64 2a3j n GLN 30 Cb 0.54 -1.50 -0.13 0.00 1.02 0.00 0.00 30.24 30.18 2a3j n GLN 30 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 2a3j s VAL 31 N -2.06 2.54 -0.03 5.09 -7.23 -1.26 -0.06 120.40 117.38 2a3j s VAL 31 Ca 0.45 -1.53 0.03 0.00 -1.81 0.00 0.00 61.98 59.11 2a3j s VAL 31 Cb 0.22 -2.11 0.00 0.00 0.56 0.00 0.00 36.38 35.05 2a3j s VAL 31 CO 0.38 0.17 -0.10 0.68 -0.31 0.00 0.00 175.10 175.91 2a3j s VAL 32 N -1.04 0.89 -0.22 1.32 -7.23 -1.10 -4.22 120.40 108.80 2a3j s VAL 32 Ca 0.15 -0.42 -0.09 0.00 -1.81 0.00 0.00 61.98 59.81 2a3j s VAL 32 Cb -0.10 -0.78 -0.05 0.00 0.56 0.00 0.00 36.38 36.01 2a3j s VAL 32 CO 0.07 0.27 0.12 -0.22 -0.31 0.00 0.00 175.10 175.03 2a3j s LEU 33 N 0.15 3.98 0.07 1.32 0.20 0.11 -1.66 118.68 122.84 2a3j s LEU 33 Ca -0.03 0.09 0.09 0.00 0.69 0.00 0.00 54.13 54.97 2a3j s LEU 33 Cb -0.09 -2.05 -0.03 0.00 -0.43 0.00 0.00 46.19 43.59 2a3j s LEU 33 CO 0.01 0.10 -0.25 0.27 -0.29 0.00 0.00 176.35 176.19 2a3j s ILE 34 N 0.82 2.31 0.17 6.68 -0.00 -0.45 -2.25 121.20 128.48 2a3j s ILE 34 Ca 0.06 -1.45 0.02 0.00 -0.00 0.00 0.00 60.65 59.28 2a3j s ILE 34 Cb -0.13 -1.95 -0.01 0.00 -0.00 0.00 0.00 42.46 40.38 2a3j s ILE 34 CO 0.02 0.29 0.17 0.35 -0.00 0.00 0.00 174.94 175.77 2a3j n THR 35 N 1.49 0.00 -3.17 8.37 -2.24 -1.24 -1.33 114.28 116.17 2a3j n THR 35 Ca -0.17 -1.09 -0.19 0.00 -2.27 0.00 0.00 64.05 60.33 2a3j n THR 35 Cb 0.52 0.58 0.05 0.00 -2.10 0.00 0.00 70.33 69.38 2a3j n THR 35 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2a3j n ASN 36 N -2.20 -5.41 -4.60 3.42 2.85 -1.17 -4.08 115.26 104.07 2a3j n ASN 36 Ca 0.03 -0.35 -0.34 0.00 -0.11 0.00 0.00 54.58 53.80 2a3j n ASN 36 Cb 0.30 -4.11 -0.11 0.00 1.24 0.00 0.00 39.78 37.09 2a3j n ASN 36 CO 0.00 0.00 0.00 0.27 -2.11 0.00 0.00 177.26 175.42 2a3j s ILE 37 N -3.17 4.08 -0.23 -1.44 -4.36 -1.14 -4.78 121.20 110.16 2a3j s ILE 37 Ca 0.38 -0.32 -0.29 0.00 -0.26 0.00 0.00 60.65 60.16 2a3j s ILE 37 Cb -0.17 -2.74 -0.03 0.00 1.25 0.00 0.00 42.46 40.77 2a3j s ILE 37 CO 0.47 0.56 1.70 0.21 0.24 0.00 0.00 174.94 178.12 2a3j s ASN 38 N -0.38 6.24 0.00 4.36 3.84 -1.26 -4.61 114.94 123.13 2a3j s ASN 38 Ca 0.07 1.63 0.14 0.00 0.21 0.00 0.00 52.86 54.91 2a3j s ASN 38 Cb -0.12 -2.53 0.67 0.00 -0.55 0.00 0.00 41.25 38.72 2a3j s ASN 38 CO 0.02 -1.37 1.43 -0.81 -2.79 0.00 0.00 177.10 173.58 2a3j n PRO 39 N 7.86 0.10 -0.09 0.43 -0.04 -1.26 -3.26 135.00 138.75 2a3j n PRO 39 Ca 0.20 0.20 0.25 0.00 -0.04 0.00 0.00 63.50 64.12 2a3j n PRO 39 Cb 0.45 -1.50 0.72 0.00 -0.04 0.00 0.00 33.50 33.13 2a3j n PRO 39 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2a3j h GLU 40 N 0.00 0.00 -5.61 0.54 5.08 -1.91 -3.39 114.58 109.30 2a3j h GLU 40 Ca 0.00 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.75 2a3j h GLU 40 Cb 0.19 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.36 2a3j h GLU 40 CO 0.00 0.00 -0.35 0.54 -1.00 0.00 0.00 179.01 178.20 2a3j s VAL 41 N -4.88 5.31 0.53 3.13 0.11 -1.20 -5.08 120.40 118.31 2a3j s VAL 41 Ca -0.05 0.50 -0.20 0.00 -2.93 0.00 0.00 61.98 59.30 2a3j s VAL 41 Cb 0.20 -3.58 -0.06 0.00 -1.53 0.00 0.00 36.38 31.40 2a3j s VAL 41 CO 0.71 0.48 1.13 -2.16 -3.33 0.00 0.00 175.10 171.94 2a3j s PRO 42 N -0.19 3.43 0.42 1.54 0.04 -1.26 -4.66 135.00 134.31 2a3j s PRO 42 Ca 0.17 1.64 0.22 0.00 0.04 0.00 0.00 61.00 63.06 2a3j s PRO 42 Cb -0.13 -2.07 1.18 0.00 0.04 0.00 0.00 34.50 33.52 2a3j s PRO 42 CO 0.05 -0.79 1.77 -0.22 0.04 0.00 0.00 177.00 177.85 2a3j h LYS 43 N 1.35 0.31 -0.28 4.56 3.11 -1.93 0.34 116.57 124.03 2a3j h LYS 43 Ca -0.50 -0.02 0.06 0.00 -2.81 0.00 0.00 60.65 57.38 2a3j h LYS 43 Cb 1.26 -0.07 -0.06 0.00 -1.00 0.00 0.00 32.23 32.36 2a3j h LYS 43 CO 0.57 0.21 -0.11 1.49 -2.81 0.00 0.00 179.45 178.80 2a3j h GLU 44 N 0.32 -0.06 0.05 1.90 4.81 -1.99 0.33 114.58 119.94 2a3j h GLU 44 Ca 0.59 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.72 2a3j h GLU 44 Cb 1.64 0.01 0.00 0.00 0.63 0.00 0.00 28.75 31.04 2a3j h GLU 44 CO -0.25 -0.04 -0.51 0.87 -0.73 0.00 0.00 179.01 178.35 2a3j h LYS 45 N -0.06 0.11 0.16 1.92 1.57 -1.35 -3.19 116.57 115.72 2a3j h LYS 45 Ca 0.14 -0.19 0.01 0.00 -1.87 0.00 0.00 60.65 58.75 2a3j h LYS 45 Cb 0.28 0.07 -0.05 0.00 0.08 0.00 0.00 32.23 32.61 2a3j h LYS 45 CO -0.32 1.09 -0.49 1.25 -0.57 0.00 0.00 179.45 180.40 2a3j h LEU 46 N -0.75 -1.47 -0.74 2.94 6.46 -0.37 -1.92 115.31 119.45 2a3j h LEU 46 Ca -0.11 0.15 0.15 0.00 -0.12 0.00 0.00 57.88 57.96 2a3j h LEU 46 Cb 1.29 0.54 -0.10 0.00 -0.73 0.00 0.00 40.66 41.66 2a3j h LEU 46 CO 0.03 -0.55 0.25 -0.61 -0.62 0.00 0.00 178.44 176.93 2a3j h GLN 47 N -0.75 0.35 -0.97 1.25 4.15 -0.52 0.76 115.11 119.38 2a3j h GLN 47 Ca -0.00 -0.02 0.19 0.00 0.77 0.00 0.00 58.65 59.58 2a3j h GLN 47 Cb 0.75 -0.08 -0.11 0.00 0.21 0.00 0.00 27.48 28.25 2a3j h GLN 47 CO -0.25 0.23 0.56 0.00 -1.93 0.00 0.00 178.83 177.44 2a3j h ALA 48 N 1.57 1.58 -0.05 3.38 0.00 -1.35 0.43 119.26 124.84 2a3j h ALA 48 Ca 0.42 0.09 -0.06 0.00 0.00 0.00 0.00 54.91 55.36 2a3j h ALA 48 Cb 0.67 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2a3j h ALA 48 CO -0.45 -0.09 -0.19 -0.07 0.00 0.00 0.00 179.25 178.45 2a3j h LEU 49 N 0.70 0.25 -1.40 0.00 -0.00 -0.41 -2.34 115.31 112.10 2a3j h LEU 49 Ca 0.56 -0.64 0.13 0.00 -0.00 0.00 0.00 57.88 57.93 2a3j h LEU 49 Cb 0.89 -0.07 -0.06 0.00 -0.00 0.00 0.00 40.66 41.42 2a3j h LEU 49 CO -0.40 0.85 0.53 -0.07 -0.00 0.00 0.00 178.44 179.35 2a3j h LEU 50 N -0.34 0.57 -0.07 1.67 3.38 -0.30 -1.30 115.31 118.92 2a3j h LEU 50 Ca -0.01 0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 2a3j h LEU 50 Cb 0.84 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.50 2a3j h LEU 50 CO 0.04 0.31 -0.27 0.22 0.09 0.00 0.00 178.44 178.83 2a3j h TYR 51 N 0.62 0.40 -0.16 1.13 5.03 -0.95 -1.54 116.97 121.49 2a3j h TYR 51 Ca 0.39 -0.17 0.05 0.00 2.58 0.00 0.00 58.73 61.58 2a3j h TYR 51 Cb 0.66 -0.06 -0.05 0.00 1.55 0.00 0.00 36.73 38.82 2a3j h TYR 51 CO -0.00 0.89 -0.15 0.00 -1.32 0.00 0.00 178.16 177.58 2a3j h ALA 52 N 0.43 -0.04 -0.39 1.82 0.00 -0.79 0.20 119.26 120.51 2a3j h ALA 52 Ca -0.01 0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 2a3j h ALA 52 Cb 0.91 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 2a3j h ALA 52 CO 0.06 -0.59 -0.16 -0.07 0.00 0.00 0.00 179.25 178.49 2a3j h LEU 53 N -0.17 0.71 0.32 0.00 3.38 -1.35 -2.52 115.31 115.69 2a3j h LEU 53 Ca 0.10 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 2a3j h LEU 53 Cb 0.32 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.88 2a3j h LEU 53 CO -0.26 0.88 -0.15 0.00 0.09 0.00 0.00 178.44 179.00 2a3j h ALA 54 N 1.18 -0.43 -0.15 1.53 0.00 -0.56 -2.71 119.26 118.12 2a3j h ALA 54 Ca 0.10 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.92 2a3j h ALA 54 Cb 0.63 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 2a3j h ALA 54 CO 0.04 -0.68 0.11 1.03 0.00 0.00 0.00 179.25 179.75 2a3j h SER 55 N -0.55 0.00 0.13 0.00 0.87 -0.60 0.78 113.55 114.18 2a3j h SER 55 Ca -0.04 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.52 2a3j h SER 55 Cb 0.41 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.37 2a3j h SER 55 CO 0.07 0.00 0.00 -1.28 -0.53 0.00 0.00 176.83 175.09 2a3j h SER 56 N 0.00 0.00 0.00 6.23 0.87 -1.11 -3.34 113.55 116.20 2a3j h SER 56 Ca 0.07 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 2a3j h SER 56 Cb 0.28 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.24 2a3j h SER 56 CO -0.00 0.00 -0.07 0.00 -0.53 0.00 0.00 176.83 176.23 2a3j n GLN 57 N -2.88 0.04 -4.44 2.24 1.13 0.07 -5.11 117.38 108.42 2a3j n GLN 57 Ca -0.02 0.01 -0.21 0.00 -1.94 0.00 0.00 57.00 54.84 2a3j n GLN 57 Cb 0.09 -0.29 -0.10 0.00 0.11 0.00 0.00 30.24 30.05 2a3j n GLN 57 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 2a3j s GLY 58 N -3.30 2.09 0.39 1.08 0.00 -0.05 -4.96 107.32 102.57 2a3j s GLY 58 Ca -0.02 -1.94 -0.25 0.00 0.00 0.00 0.00 44.72 42.51 2a3j s GLY 58 CO 0.03 -1.79 1.09 0.99 0.00 0.00 0.00 173.10 173.42 2a3j s ASP 59 N -3.48 6.74 -0.12 1.64 1.11 -1.26 -3.37 116.67 117.93 2a3j s ASP 59 Ca 0.35 2.15 -0.02 0.00 0.18 0.00 0.00 52.55 55.21 2a3j s ASP 59 Cb 0.08 -2.60 -0.03 0.00 1.07 0.00 0.00 42.92 41.44 2a3j s ASP 59 CO 0.15 -0.51 -0.04 -0.63 1.18 0.00 0.00 175.17 175.32 2a3j s ILE 60 N -1.53 3.92 -0.15 0.77 1.09 -1.26 -1.69 121.20 122.35 2a3j s ILE 60 Ca 0.56 -0.37 0.19 0.00 -1.10 0.00 0.00 60.65 59.93 2a3j s ILE 60 Cb -0.26 -2.68 -0.27 0.00 -1.06 0.00 0.00 42.46 38.20 2a3j s ILE 60 CO 0.32 0.54 0.22 0.18 -0.10 0.00 0.00 174.94 176.10 2a3j n LEU 61 N 2.92 0.06 0.00 2.97 4.77 -0.12 -4.91 117.00 122.69 2a3j n LEU 61 Ca -0.18 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 2a3j n LEU 61 Cb 0.53 0.35 0.00 0.00 -2.33 0.00 0.00 43.42 41.97 2a3j n LEU 61 CO 0.30 0.36 0.00 -0.67 -1.33 0.00 0.00 177.39 176.06 2a3j n ASP 62 N -2.65 0.00 -4.35 -1.43 -0.08 -1.21 -5.04 116.55 101.79 2a3j n ASP 62 Ca -0.25 0.00 -0.39 0.00 -1.51 0.00 0.00 54.79 52.64 2a3j n ASP 62 Cb 1.00 0.00 -0.12 0.00 2.34 0.00 0.00 41.12 44.34 2a3j n ASP 62 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 2a3j s ILE 63 N 0.00 4.28 0.05 5.18 1.01 -1.26 -1.31 121.20 129.15 2a3j s ILE 63 Ca 0.00 -0.85 -0.09 0.00 0.00 0.00 0.00 60.65 59.70 2a3j s ILE 63 Cb 0.00 -3.35 -0.05 0.00 0.01 0.00 0.00 42.46 39.07 2a3j s ILE 63 CO 0.00 -0.14 0.35 -0.69 0.00 0.00 0.00 174.94 174.47 2a3j s VAL 64 N 1.51 5.16 -0.03 2.92 1.01 0.12 -4.97 120.40 126.12 2a3j s VAL 64 Ca 0.01 0.39 0.01 0.00 0.00 0.00 0.00 61.98 62.39 2a3j s VAL 64 Cb -0.19 -3.62 0.02 0.00 0.00 0.00 0.00 36.38 32.59 2a3j s VAL 64 CO 0.05 0.34 -0.04 -0.69 0.00 0.00 0.00 175.10 174.75 2a3j s VAL 65 N -1.34 0.49 0.00 2.92 1.01 -1.26 -0.18 120.40 122.04 2a3j s VAL 65 Ca 0.30 -0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.15 2a3j s VAL 65 Cb -0.14 -0.50 0.00 0.00 0.00 0.00 0.00 36.38 35.74 2a3j s VAL 65 CO 0.17 0.20 0.00 -0.90 0.00 0.00 0.00 175.10 174.56 2a3j n ASP 66 N 3.78 -0.58 -1.63 3.32 5.75 -1.16 -4.86 116.55 121.17 2a3j n ASP 66 Ca -0.23 -0.04 -0.04 0.00 -0.01 0.00 0.00 54.79 54.46 2a3j n ASP 66 Cb 0.52 0.00 0.21 0.00 -1.03 0.00 0.00 41.12 40.82 2a3j n ASP 66 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2a3j n LEU 67 N 0.00 4.83 -3.79 -2.12 -0.00 -1.26 -4.91 117.00 109.74 2a3j n LEU 67 Ca 0.00 -2.50 -0.35 0.00 -0.00 0.00 0.00 56.01 53.16 2a3j n LEU 67 Cb 0.00 -0.67 0.03 0.00 -0.00 0.00 0.00 43.42 42.78 2a3j n LEU 67 CO 0.00 0.67 -0.11 -1.54 -0.00 0.00 0.00 177.39 176.41 2a3j n SER 68 N -0.03 -4.67 -4.75 1.45 3.41 -1.26 -4.90 113.62 102.88 2a3j n SER 68 Ca 0.29 -1.08 -0.41 0.00 -0.26 0.00 0.00 58.87 57.41 2a3j n SER 68 Cb 1.08 -2.97 -0.04 0.00 -0.26 0.00 0.00 64.21 62.02 2a3j n SER 68 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2a3j s ASP 69 N -3.55 7.34 0.08 4.04 2.15 -1.26 -4.81 116.67 120.66 2a3j s ASP 69 Ca 0.44 2.11 0.16 0.00 0.43 0.00 0.00 52.55 55.70 2a3j s ASP 69 Cb -0.18 -2.61 0.70 0.00 -0.30 0.00 0.00 42.92 40.53 2a3j s ASP 69 CO 0.89 -0.13 1.51 0.47 -0.17 0.00 0.00 175.17 177.75 2a3j n ASP 70 N 1.85 0.20 -0.02 -0.34 9.92 -1.26 -0.51 116.55 126.40 2a3j n ASP 70 Ca 0.01 0.55 0.04 0.00 -0.53 0.00 0.00 54.79 54.86 2a3j n ASP 70 Cb 0.46 -0.60 -0.04 0.00 -0.64 0.00 0.00 41.12 40.30 2a3j n ASP 70 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 2a3j n ASN 71 N -1.73 0.45 0.00 -2.24 5.15 -1.26 -4.86 115.26 110.77 2a3j n ASN 71 Ca 0.03 -0.72 0.00 0.00 -0.60 0.00 0.00 54.58 53.28 2a3j n ASN 71 Cb 0.17 0.96 0.00 0.00 -0.53 0.00 0.00 39.78 40.38 2a3j n ASN 71 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 2a3j n SER 72 N -1.12 0.00 -3.01 1.20 7.64 -0.87 -5.10 113.62 112.37 2a3j n SER 72 Ca 0.02 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.79 2a3j n SER 72 Cb 0.13 -0.02 0.01 0.00 -1.01 0.00 0.00 64.21 63.32 2a3j n SER 72 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2a3j n GLY 73 N 3.49 -1.68 2.77 0.23 0.00 0.33 -4.48 105.19 105.84 2a3j n GLY 73 Ca 0.00 0.77 -0.11 0.00 0.00 0.00 0.00 46.02 46.67 2a3j n GLY 73 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2a3j n LYS 74 N 0.33 0.61 -3.78 1.61 2.85 -1.26 -2.91 118.16 115.61 2a3j n LYS 74 Ca 0.02 -2.23 -0.03 0.00 -1.05 0.00 0.00 58.31 55.03 2a3j n LYS 74 Cb 0.37 2.20 0.02 0.00 -0.65 0.00 0.00 35.03 36.97 2a3j n LYS 74 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2a3j n ALA 75 N -1.12 -2.64 -3.73 0.58 0.00 -0.44 -3.00 120.51 110.17 2a3j n ALA 75 Ca -0.11 -0.97 -0.14 0.00 0.00 0.00 0.00 53.44 52.21 2a3j n ALA 75 Cb 0.48 0.52 -0.15 0.00 0.00 0.00 0.00 19.45 20.30 2a3j n ALA 75 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2a3j s TYR 76 N -2.25 -0.16 -0.37 0.00 1.51 0.74 -1.33 117.35 115.48 2a3j s TYR 76 Ca 0.22 0.51 -0.04 0.00 -1.01 0.00 0.00 57.07 56.75 2a3j s TYR 76 Cb -0.03 -0.13 0.08 0.00 -0.11 0.00 0.00 41.96 41.77 2a3j s TYR 76 CO 0.05 -0.19 0.15 0.42 -1.11 0.00 0.00 175.55 174.86 2a3j s ILE 77 N 1.46 3.44 -0.13 2.71 1.01 -0.66 0.10 121.20 129.14 2a3j s ILE 77 Ca -0.06 -1.63 -0.28 0.00 0.00 0.00 0.00 60.65 58.68 2a3j s ILE 77 Cb -0.12 -3.15 -0.01 0.00 0.01 0.00 0.00 42.46 39.18 2a3j s ILE 77 CO -0.06 -0.43 0.93 -0.69 0.00 0.00 0.00 174.94 174.70 2a3j s VAL 78 N 1.26 4.82 0.56 2.92 1.01 -0.43 -2.72 120.40 127.83 2a3j s VAL 78 Ca 0.02 1.87 0.06 0.00 0.00 0.00 0.00 61.98 63.94 2a3j s VAL 78 Cb -0.22 -4.24 0.05 0.00 0.00 0.00 0.00 36.38 31.98 2a3j s VAL 78 CO -0.01 0.02 0.49 -0.36 0.00 0.00 0.00 175.10 175.24 2a3j s PHE 79 N 2.05 1.54 0.17 5.22 0.08 0.91 -0.95 117.98 127.00 2a3j s PHE 79 Ca 0.44 -0.83 -0.11 0.00 0.12 0.00 0.00 56.93 56.56 2a3j s PHE 79 Cb -0.17 -1.97 0.06 0.00 -0.57 0.00 0.00 43.02 40.36 2a3j s PHE 79 CO 0.15 -0.64 1.65 0.00 -0.10 0.00 0.00 175.22 176.28 2a3j h ALA 80 N 0.61 0.78 -2.45 5.36 0.00 -1.58 -3.41 119.26 118.56 2a3j h ALA 80 Ca -0.35 -0.28 0.14 0.00 0.00 0.00 0.00 54.91 54.42 2a3j h ALA 80 Cb 1.30 -0.22 -0.09 0.00 0.00 0.00 0.00 17.79 18.78 2a3j h ALA 80 CO 0.53 0.57 0.44 0.99 0.00 0.00 0.00 179.25 181.78 2a3j s THR 81 N -5.12 0.00 0.53 0.00 2.01 -1.26 -4.95 115.64 106.86 2a3j s THR 81 Ca -0.12 -0.52 0.30 0.00 0.31 0.00 0.00 61.69 61.66 2a3j s THR 81 Cb 0.13 -1.72 0.46 0.00 0.01 0.00 0.00 72.50 71.39 2a3j s THR 81 CO 0.84 0.00 1.92 -0.61 -0.69 0.00 0.00 174.62 176.07 2a3j h GLN 82 N 2.00 0.00 0.05 4.92 4.15 -1.90 -1.00 115.11 123.34 2a3j h GLN 82 Ca -0.24 -0.00 0.02 0.00 0.77 0.00 0.00 58.65 59.20 2a3j h GLN 82 Cb 1.24 -0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.90 2a3j h GLN 82 CO 0.27 0.00 -0.19 0.93 -1.93 0.00 0.00 178.83 177.91 2a3j h GLU 83 N 0.00 -0.33 -0.13 1.69 5.08 -1.95 0.83 114.58 119.78 2a3j h GLU 83 Ca 0.38 0.02 -0.14 0.00 -1.00 0.00 0.00 59.36 58.62 2a3j h GLU 83 Cb 1.54 0.07 0.01 0.00 0.50 0.00 0.00 28.75 30.87 2a3j h GLU 83 CO -0.01 -0.22 -0.48 0.77 -1.00 0.00 0.00 179.01 178.07 2a3j h SER 84 N -0.34 0.64 -0.12 1.42 0.02 -1.63 -3.00 113.55 110.54 2a3j h SER 84 Ca 0.04 -0.62 0.05 0.00 -0.84 0.00 0.00 61.79 60.42 2a3j h SER 84 Cb 0.39 -0.19 -0.06 0.00 0.14 0.00 0.00 62.40 62.68 2a3j h SER 84 CO -0.15 1.16 -0.26 0.00 -1.14 0.00 0.00 176.83 176.44 2a3j h ALA 85 N 0.51 -0.26 -0.48 3.77 0.00 -1.10 -0.57 119.26 121.12 2a3j h ALA 85 Ca -0.02 0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.97 2a3j h ALA 85 Cb 1.12 0.49 -0.03 0.00 0.00 0.00 0.00 17.79 19.37 2a3j h ALA 85 CO 0.10 -0.73 0.32 0.37 0.00 0.00 0.00 179.25 179.32 2a3j h GLN 86 N -0.33 0.43 -0.22 0.00 4.15 -0.91 0.28 115.11 118.51 2a3j h GLN 86 Ca 0.10 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.47 2a3j h GLN 86 Cb 0.48 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 28.06 2a3j h GLN 86 CO -0.31 0.29 0.07 0.00 -1.93 0.00 0.00 178.83 176.95 2a3j h ALA 87 N 1.74 0.29 -0.05 3.38 0.00 -1.00 0.25 119.26 123.87 2a3j h ALA 87 Ca 0.20 -0.14 -0.22 0.00 0.00 0.00 0.00 54.91 54.76 2a3j h ALA 87 Cb 0.24 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2a3j h ALA 87 CO -0.05 -0.09 -0.86 0.35 0.00 0.00 0.00 179.25 178.60 2a3j h PHE 88 N 0.19 0.71 -0.46 0.00 3.04 -0.60 -0.62 116.94 119.19 2a3j h PHE 88 Ca 0.07 -0.35 -0.13 0.00 3.98 0.00 0.00 57.97 61.54 2a3j h PHE 88 Cb 0.23 -0.09 -0.01 0.00 2.56 0.00 0.00 35.95 38.63 2a3j h PHE 88 CO 0.00 1.16 -0.23 0.28 -2.02 0.00 0.00 178.31 177.50 2a3j h VAL 89 N 0.31 1.27 0.00 1.41 2.07 -0.39 -1.85 116.25 119.07 2a3j h VAL 89 Ca -0.07 -1.39 -0.11 0.00 0.82 0.00 0.00 66.70 65.95 2a3j h VAL 89 Cb 1.48 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 32.38 2a3j h VAL 89 CO 0.16 0.48 -0.58 1.05 0.02 0.00 0.00 177.57 178.69 2a3j h GLU 90 N 0.82 0.00 0.00 1.57 -0.00 -0.54 0.29 114.58 116.72 2a3j h GLU 90 Ca 0.11 0.00 -0.11 0.00 -0.00 0.00 0.00 59.36 59.36 2a3j h GLU 90 Cb 0.80 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 29.53 2a3j h GLU 90 CO 0.07 0.51 -0.51 0.00 -0.00 0.00 0.00 179.01 179.08 2a3j h ALA 91 N 1.47 0.79 -0.00 1.06 0.00 -0.97 -3.26 119.26 118.36 2a3j h ALA 91 Ca -0.01 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2a3j h ALA 91 Cb 1.41 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.12 2a3j h ALA 91 CO 0.07 0.63 0.00 1.19 0.00 0.00 0.00 179.25 181.14 2a3j n PHE 92 N -3.39 0.00 -0.30 0.00 3.01 -0.71 -4.71 117.46 111.36 2a3j n PHE 92 Ca 0.01 -0.41 0.29 0.00 1.01 0.00 0.00 57.45 58.34 2a3j n PHE 92 Cb 0.65 -0.04 0.64 0.00 -0.01 0.00 0.00 39.48 40.73 2a3j n PHE 92 CO 0.00 0.00 0.00 0.37 1.01 0.00 0.00 176.76 178.14 2a3j h GLN 93 N 0.01 0.16 -1.14 -1.08 4.15 -0.46 -2.44 115.11 114.31 2a3j h GLN 93 Ca 0.00 -0.01 -0.41 0.00 0.77 0.00 0.00 58.65 59.00 2a3j h GLN 93 Cb 0.42 -0.04 -0.40 0.00 0.21 0.00 0.00 27.48 27.67 2a3j h GLN 93 CO 0.00 0.11 -1.10 0.41 -1.93 0.00 0.00 178.83 176.32 2a3j n GLY 94 N -1.63 2.48 3.33 2.39 0.00 -1.26 -4.75 105.19 105.75 2a3j n GLY 94 Ca 0.24 -1.60 -0.32 0.00 0.00 0.00 0.00 46.02 44.34 2a3j n GLY 94 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2a3j s TYR 95 N -3.19 2.51 -0.51 1.61 6.14 -0.92 -5.08 117.35 117.92 2a3j s TYR 95 Ca 0.32 -0.53 -0.27 0.00 0.64 0.00 0.00 57.07 57.23 2a3j s TYR 95 Cb 0.44 -1.61 -0.02 0.00 0.42 0.00 0.00 41.96 41.20 2a3j s TYR 95 CO -0.01 -0.09 1.80 -1.25 0.64 0.00 0.00 175.55 176.64 2a3j s PRO 96 N -0.33 2.93 0.05 4.97 0.04 -1.26 -4.25 135.00 137.15 2a3j s PRO 96 Ca 0.02 0.89 0.04 0.00 0.04 0.00 0.00 61.00 61.99 2a3j s PRO 96 Cb -0.12 -4.30 -0.02 0.00 0.04 0.00 0.00 34.50 30.10 2a3j s PRO 96 CO 0.02 -2.36 -0.11 0.12 0.04 0.00 0.00 177.00 174.71 2a3j s PHE 97 N 8.08 0.99 -1.08 0.56 5.36 -1.24 -4.75 117.98 125.89 2a3j s PHE 97 Ca 0.71 -0.41 -0.00 0.00 -0.96 0.00 0.00 56.93 56.26 2a3j s PHE 97 Cb -0.16 -0.58 0.00 0.00 -0.34 0.00 0.00 43.02 41.95 2a3j s PHE 97 CO 0.26 0.00 0.02 1.04 -1.46 0.00 0.00 175.22 175.08 2a3j n GLN 98 N 1.66 -2.27 0.00 10.12 1.13 -1.26 -2.88 117.38 123.88 2a3j n GLN 98 Ca -0.20 0.61 0.00 0.00 -1.94 0.00 0.00 57.00 55.47 2a3j n GLN 98 Cb 0.55 -5.21 0.00 0.00 0.11 0.00 0.00 30.24 25.69 2a3j n GLN 98 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2a3j n GLY 99 N -0.83 2.28 0.00 1.08 0.00 -1.26 -4.26 105.19 102.20 2a3j n GLY 99 Ca -0.14 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.36 2a3j n GLY 99 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2a3j n ASN 100 N 0.00 0.00 -4.56 1.61 3.02 -1.14 -5.00 115.26 109.20 2a3j n ASN 100 Ca 0.00 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.25 2a3j n ASN 100 Cb 0.00 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.13 2a3j n ASN 100 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2a3j s PRO 101 N 0.00 2.57 -0.15 3.52 0.04 -1.26 -3.73 135.00 136.00 2a3j s PRO 101 Ca 0.00 -0.00 -0.03 0.00 0.04 0.00 0.00 61.00 61.00 2a3j s PRO 101 Cb 0.00 -4.85 -0.03 0.00 0.04 0.00 0.00 34.50 29.66 2a3j s PRO 101 CO 0.00 -3.18 -0.04 -1.17 0.04 0.00 0.00 177.00 172.65 2a3j s LEU 102 N 9.79 3.24 -0.06 -3.56 2.96 -1.26 -4.75 118.68 125.04 2a3j s LEU 102 Ca 0.69 -0.12 0.03 0.00 -0.22 0.00 0.00 54.13 54.52 2a3j s LEU 102 Cb -0.09 -1.77 0.00 0.00 0.50 0.00 0.00 46.19 44.84 2a3j s LEU 102 CO 0.06 0.19 -0.15 0.54 -1.32 0.00 0.00 176.35 175.67 2a3j s VAL 103 N 0.22 1.35 -0.06 1.68 0.11 -1.26 -4.72 120.40 117.72 2a3j s VAL 103 Ca -0.03 -0.64 -0.01 0.00 -2.93 0.00 0.00 61.98 58.38 2a3j s VAL 103 Cb -0.14 -1.18 0.03 0.00 -1.53 0.00 0.00 36.38 33.55 2a3j s VAL 103 CO 0.03 0.40 -0.01 0.27 -3.33 0.00 0.00 175.10 172.46 2a3j s ILE 104 N 0.33 0.40 0.14 7.04 -0.00 -1.26 -3.62 121.20 124.23 2a3j s ILE 104 Ca -0.10 0.06 0.01 0.00 -0.00 0.00 0.00 60.65 60.63 2a3j s ILE 104 Cb -0.14 -0.52 -0.04 0.00 -0.00 0.00 0.00 42.46 41.75 2a3j s ILE 104 CO 0.03 0.25 -0.02 0.42 -0.00 0.00 0.00 174.94 175.62 2a3j s THR 105 N 1.67 0.63 -1.66 8.37 -4.23 -0.95 -4.93 115.64 114.54 2a3j s THR 105 Ca 0.00 -1.95 0.30 0.00 -1.18 0.00 0.00 61.69 58.86 2a3j s THR 105 Cb -0.13 -1.93 0.60 0.00 1.34 0.00 0.00 72.50 72.38 2a3j s THR 105 CO -0.04 -0.64 2.03 0.49 -0.54 0.00 0.00 174.62 175.92 2a3j n PHE 106 N -0.14 0.00 -4.35 3.99 3.01 -1.26 0.04 117.46 118.75 2a3j n PHE 106 Ca -0.09 0.00 0.01 0.00 1.01 0.00 0.00 57.45 58.39 2a3j n PHE 106 Cb 0.62 -0.18 -0.00 0.00 -0.01 0.00 0.00 39.48 39.91 2a3j n PHE 106 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 2a3j n SER 107 N -1.07 -4.53 -4.40 4.37 2.88 -1.26 -4.27 113.62 105.34 2a3j n SER 107 Ca 0.17 0.12 -0.36 0.00 -1.33 0.00 0.00 58.87 57.46 2a3j n SER 107 Cb 0.22 -0.32 -0.13 0.00 -0.75 0.00 0.00 64.21 63.23 2a3j n SER 107 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 2a3j s GLU 108 N -0.19 3.56 -0.67 -1.46 2.02 -1.26 -5.00 118.70 115.70 2a3j s GLU 108 Ca 0.00 -0.53 0.06 0.00 0.02 0.00 0.00 54.97 54.52 2a3j s GLU 108 Cb 0.00 -3.22 0.23 0.00 0.10 0.00 0.00 34.13 31.24 2a3j s GLU 108 CO 0.00 -0.19 0.69 0.25 0.02 0.00 0.00 175.26 176.03 2a3j n THR 109 N 4.88 2.22 -0.85 3.63 -2.24 -1.26 -5.09 114.28 115.57 2a3j n THR 109 Ca -0.17 -5.14 -0.19 0.00 -2.27 0.00 0.00 64.05 56.28 2a3j n THR 109 Cb 0.51 -2.13 0.16 0.00 -2.10 0.00 0.00 70.33 66.78 2a3j n THR 109 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2a3j n PRO 110 N 1.17 -2.42 -1.04 -0.78 -0.04 -1.26 -4.97 135.00 125.66 2a3j n PRO 110 Ca 0.27 -1.14 0.00 0.00 -0.04 0.00 0.00 63.50 62.60 2a3j n PRO 110 Cb 0.39 -1.07 -0.01 0.00 -0.04 0.00 0.00 33.50 32.78 2a3j n PRO 110 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 2a3j n GLN 111 N -3.69 0.00 -0.01 0.54 7.27 -1.26 -4.87 117.38 115.36 2a3j n GLN 111 Ca 0.10 -1.33 -0.04 0.00 0.07 0.00 0.00 57.00 55.80 2a3j n GLN 111 Cb 0.38 -0.01 -0.12 0.00 2.41 0.00 0.00 30.24 32.90 2a3j n GLN 111 CO 0.00 0.00 0.00 -1.13 0.07 0.00 0.00 177.06 176.00 2a3j n SER 112 N 0.22 0.64 -0.79 1.69 3.41 -1.26 -3.96 113.62 113.56 2a3j n SER 112 Ca -0.03 0.29 0.07 0.00 -0.26 0.00 0.00 58.87 58.94 2a3j n SER 112 Cb 0.88 0.38 0.19 0.00 -0.26 0.00 0.00 64.21 65.40 2a3j n SER 112 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2a3j n GLN 113 N -2.86 2.00 -1.10 4.33 10.64 -1.26 -4.68 117.38 124.44 2a3j n GLN 113 Ca -0.16 -1.54 -0.33 0.00 -1.83 0.00 0.00 57.00 53.13 2a3j n GLN 113 Cb 0.95 -1.34 0.13 0.00 -0.86 0.00 0.00 30.24 29.12 2a3j n GLN 113 CO 0.00 0.00 0.00 0.14 -1.83 0.00 0.00 177.06 175.37 2a3j s VAL 114 N -1.43 2.01 0.23 -0.39 -7.23 -1.25 -4.86 120.40 107.47 2a3j s VAL 114 Ca 0.29 0.00 -0.06 0.00 -1.81 0.00 0.00 61.98 60.40 2a3j s VAL 114 Cb 0.15 -2.41 0.19 0.00 0.56 0.00 0.00 36.38 34.87 2a3j s VAL 114 CO 0.19 -0.00 1.75 0.00 -0.31 0.00 0.00 175.10 176.73 2a3j h ALA 115 N -0.92 0.97 -0.57 1.32 0.00 -1.94 0.98 119.26 119.10 2a3j h ALA 115 Ca -0.46 0.09 0.16 0.00 0.00 0.00 0.00 54.91 54.70 2a3j h ALA 115 Cb 1.30 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 2a3j h ALA 115 CO 0.46 -0.15 0.41 1.49 0.00 0.00 0.00 179.25 181.45 2a3j h GLU 116 N 0.49 0.00 0.00 0.00 4.22 -1.96 -3.55 114.58 113.78 2a3j h GLU 116 Ca 0.37 -0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.81 2a3j h GLU 116 Cb 0.48 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 2a3j h GLU 116 CO -0.34 0.00 0.00 -3.47 -2.18 0.00 0.00 179.01 173.03