#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 1.20 -0.78 0.04 -1.26 -5.00 135.00 132.78 2a3j s PRO 23 Ca 0.00 1.46 -0.19 0.00 0.04 0.00 0.00 61.00 62.31 2a3j s PRO 23 Cb 0.00 -4.10 0.29 0.00 0.04 0.00 0.00 34.50 30.73 2a3j s PRO 23 CO 0.00 -1.56 1.11 -1.25 0.04 0.00 0.00 177.00 175.34 2a3j s PRO 24 N 5.12 -1.24 -0.58 0.56 0.04 -1.26 -5.03 135.00 132.60 2a3j s PRO 24 Ca 0.73 -0.08 0.04 0.00 0.04 0.00 0.00 61.00 61.74 2a3j s PRO 24 Cb -0.22 -1.60 0.17 0.00 0.04 0.00 0.00 34.50 32.89 2a3j s PRO 24 CO 0.32 -3.72 0.42 -3.38 0.04 0.00 0.00 177.00 170.68 2a3j s HIS 25 N -3.01 2.58 0.15 0.56 -3.43 -1.26 -4.96 115.29 105.91 2a3j s HIS 25 Ca 0.71 -2.92 -0.17 0.00 -0.80 0.00 0.00 55.06 51.88 2a3j s HIS 25 Cb -0.09 -2.01 0.04 0.00 -1.43 0.00 0.00 32.58 29.09 2a3j s HIS 25 CO 0.56 -0.66 1.73 1.15 -2.00 0.00 0.00 174.74 175.51 2a3j h THR 26 N 4.54 0.83 -3.15 -5.38 2.02 -2.04 -3.43 112.91 106.29 2a3j h THR 26 Ca 0.18 -0.05 -0.54 0.00 0.77 0.00 0.00 66.41 66.76 2a3j h THR 26 Cb 0.82 0.66 0.21 0.00 -1.74 0.00 0.00 68.15 68.10 2a3j h THR 26 CO 0.58 0.03 -0.71 -0.62 0.37 0.00 0.00 175.52 175.16 2a3j n GLU 27 N -5.11 -0.10 -1.29 6.66 1.02 -1.26 -4.94 120.64 115.62 2a3j n GLU 27 Ca 0.00 0.01 -0.31 0.00 -0.02 0.00 0.00 57.16 56.84 2a3j n GLU 27 Cb 0.15 -1.72 0.09 0.00 -0.02 0.00 0.00 31.44 29.93 2a3j n GLU 27 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2a3j s PRO 28 N -3.16 2.29 -0.32 3.49 0.04 -1.26 -5.06 135.00 131.01 2a3j s PRO 28 Ca 0.57 1.18 0.06 0.00 0.04 0.00 0.00 61.00 62.85 2a3j s PRO 28 Cb -0.24 -1.90 0.19 0.00 0.04 0.00 0.00 34.50 32.59 2a3j s PRO 28 CO 0.67 -1.62 0.58 -1.12 0.04 0.00 0.00 177.00 175.55 2a3j s SER 29 N -3.35 -1.40 -0.27 6.66 0.01 -1.26 -4.67 113.70 109.41 2a3j s SER 29 Ca 0.61 -0.15 0.09 0.00 1.31 0.00 0.00 55.95 57.81 2a3j s SER 29 Cb -0.17 1.92 0.65 0.00 0.21 0.00 0.00 66.02 68.63 2a3j s SER 29 CO 0.55 -0.27 1.65 0.00 0.41 0.00 0.00 173.24 175.59 2a3j n GLN 30 N 5.13 3.47 -4.06 12.44 6.02 -1.26 -3.51 117.38 135.61 2a3j n GLN 30 Ca 0.06 -2.65 -0.14 0.00 -0.01 0.00 0.00 57.00 54.27 2a3j n GLN 30 Cb 0.54 -2.10 -0.13 0.00 1.02 0.00 0.00 30.24 29.57 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 -2.63 0.34 0.12 5.09 -7.23 -1.26 -1.15 120.40 113.68 2a3j s VAL 31 Ca 0.47 -0.47 0.09 0.00 -1.81 0.00 0.00 61.98 60.27 2a3j s VAL 31 Cb 0.38 -0.34 -0.04 0.00 0.56 0.00 0.00 36.38 36.93 2a3j s VAL 31 CO 0.12 -0.09 -0.22 0.68 -0.31 0.00 0.00 175.10 175.28 2a3j s VAL 32 N -0.55 1.90 -0.03 1.32 -7.23 -0.64 -3.15 120.40 112.02 2a3j s VAL 32 Ca -0.03 -1.67 0.06 0.00 -1.81 0.00 0.00 61.98 58.52 2a3j s VAL 32 Cb -0.04 -1.74 -0.02 0.00 0.56 0.00 0.00 36.38 35.14 2a3j s VAL 32 CO -0.00 -0.06 -0.20 -0.22 -0.31 0.00 0.00 175.10 174.31 2a3j s LEU 33 N -2.09 2.41 0.09 1.32 0.20 0.10 -0.19 118.68 120.52 2a3j s LEU 33 Ca 0.10 -0.34 0.08 0.00 0.69 0.00 0.00 54.13 54.66 2a3j s LEU 33 Cb -0.09 -1.45 -0.03 0.00 -0.43 0.00 0.00 46.19 44.18 2a3j s LEU 33 CO 0.05 0.33 -0.20 0.27 -0.29 0.00 0.00 176.35 176.52 2a3j s ILE 34 N -0.69 1.60 0.13 6.68 -0.00 0.67 -2.05 121.20 127.54 2a3j s ILE 34 Ca 0.11 -1.44 0.02 0.00 -0.00 0.00 0.00 60.65 59.34 2a3j s ILE 34 Cb -0.10 -1.45 -0.01 0.00 -0.00 0.00 0.00 42.46 40.90 2a3j s ILE 34 CO 0.00 -0.05 0.13 0.35 -0.00 0.00 0.00 174.94 175.37 2a3j n THR 35 N 1.25 0.00 -2.28 8.37 -2.24 -1.23 -1.44 114.28 116.72 2a3j n THR 35 Ca -0.19 -0.86 -0.15 0.00 -2.27 0.00 0.00 64.05 60.58 2a3j n THR 35 Cb 0.54 0.45 -0.01 0.00 -2.10 0.00 0.00 70.33 69.21 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 -2.35 -4.53 -4.75 3.42 2.85 -1.22 -4.21 115.26 104.47 2a3j n ASN 36 Ca 0.02 -0.01 -0.36 0.00 -0.11 0.00 0.00 54.58 54.13 2a3j n ASN 36 Cb 0.23 -3.67 -0.08 0.00 1.24 0.00 0.00 39.78 37.49 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 -2.75 4.96 -0.11 -1.44 -4.36 -1.16 -4.92 121.20 111.43 2a3j s ILE 37 Ca 0.00 0.01 -0.30 0.00 -0.26 0.00 0.00 60.65 60.10 2a3j s ILE 37 Cb 0.00 -3.17 -0.01 0.00 1.25 0.00 0.00 42.46 40.53 2a3j s ILE 37 CO 0.00 0.56 1.03 0.20 0.24 0.00 0.00 174.94 176.97 2a3j s ASN 38 N -0.52 7.21 0.00 4.36 0.01 -1.26 -4.48 114.94 120.27 2a3j s ASN 38 Ca 0.11 1.56 0.15 0.00 -0.71 0.00 0.00 52.86 53.96 2a3j s ASN 38 Cb -0.12 -2.56 0.72 0.00 0.41 0.00 0.00 41.25 39.70 2a3j s ASN 38 CO 0.02 -0.48 1.42 -0.81 -1.51 0.00 0.00 177.10 175.74 2a3j n PRO 39 N 5.12 0.16 -0.09 -0.60 -0.04 -1.26 -3.29 135.00 135.01 2a3j n PRO 39 Ca 0.09 0.17 0.25 0.00 -0.04 0.00 0.00 63.50 63.98 2a3j n PRO 39 Cb 0.48 -1.50 0.72 0.00 -0.04 0.00 0.00 33.50 33.16 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 -5.72 0.54 5.08 -1.91 -3.39 114.58 109.19 2a3j h GLU 40 Ca 0.00 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 57.76 2a3j h GLU 40 Cb 0.16 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.33 2a3j h GLU 40 CO 0.00 0.00 -0.26 0.54 -1.00 0.00 0.00 179.01 178.29 2a3j s VAL 41 N -4.87 5.21 0.34 3.13 0.11 -1.21 -5.06 120.40 118.04 2a3j s VAL 41 Ca -0.05 0.71 -0.28 0.00 -2.93 0.00 0.00 61.98 59.43 2a3j s VAL 41 Cb 0.19 -3.68 -0.10 0.00 -1.53 0.00 0.00 36.38 31.27 2a3j s VAL 41 CO 0.70 0.45 1.22 -2.16 -3.33 0.00 0.00 175.10 171.98 2a3j s PRO 42 N -0.08 4.35 0.46 1.54 0.04 -1.26 -4.73 135.00 135.33 2a3j s PRO 42 Ca 0.21 2.02 0.27 0.00 0.04 0.00 0.00 61.00 63.54 2a3j s PRO 42 Cb -0.15 -3.00 1.33 0.00 0.04 0.00 0.00 34.50 32.72 2a3j s PRO 42 CO 0.08 -0.12 1.77 -0.22 0.04 0.00 0.00 177.00 178.55 2a3j h LYS 43 N 3.31 0.19 -0.17 4.56 3.11 -1.95 0.34 116.57 125.96 2a3j h LYS 43 Ca -0.48 -0.01 0.05 0.00 -2.81 0.00 0.00 60.65 57.40 2a3j h LYS 43 Cb 1.22 -0.04 -0.07 0.00 -1.00 0.00 0.00 32.23 32.34 2a3j h LYS 43 CO 0.65 0.13 -0.36 1.49 -2.81 0.00 0.00 179.45 178.55 2a3j h GLU 44 N 0.20 -0.39 0.15 1.90 4.81 -1.99 0.42 114.58 119.68 2a3j h GLU 44 Ca 0.61 0.03 -0.28 0.00 -0.13 0.00 0.00 59.36 59.58 2a3j h GLU 44 Cb 1.94 0.09 0.01 0.00 0.63 0.00 0.00 28.75 31.42 2a3j h GLU 44 CO -0.19 -0.26 -1.38 0.87 -0.73 0.00 0.00 179.01 177.32 2a3j h LYS 45 N -0.41 0.32 -0.39 1.92 1.57 -1.51 -3.14 116.57 114.94 2a3j h LYS 45 Ca 0.10 -0.55 0.08 0.00 -1.87 0.00 0.00 60.65 58.41 2a3j h LYS 45 Cb 0.57 0.20 -0.07 0.00 0.08 0.00 0.00 32.23 33.02 2a3j h LYS 45 CO -0.40 1.26 -0.08 1.25 -0.57 0.00 0.00 179.45 180.92 2a3j h LEU 46 N -0.18 -0.32 -0.07 2.94 5.85 -0.31 0.54 115.31 123.76 2a3j h LEU 46 Ca -0.28 0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.55 2a3j h LEU 46 Cb 1.86 0.22 -0.00 0.00 0.37 0.00 0.00 40.66 43.11 2a3j h LEU 46 CO 0.13 -0.11 0.03 -0.61 -0.34 0.00 0.00 178.44 177.54 2a3j h GLN 47 N 0.02 0.11 -0.61 1.25 4.15 -0.31 -1.77 115.11 117.95 2a3j h GLN 47 Ca 0.19 -0.02 0.12 0.00 0.77 0.00 0.00 58.65 59.71 2a3j h GLN 47 Cb 0.28 -0.02 -0.04 0.00 0.21 0.00 0.00 27.48 27.92 2a3j h GLN 47 CO -0.38 0.22 0.41 0.00 -1.93 0.00 0.00 178.83 177.15 2a3j h ALA 48 N 0.88 2.15 0.03 3.38 0.00 -1.37 -1.96 119.26 122.37 2a3j h ALA 48 Ca 0.02 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2a3j h ALA 48 Cb 0.15 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2a3j h ALA 48 CO -0.00 -0.30 -0.01 -0.07 0.00 0.00 0.00 179.25 178.86 2a3j h LEU 49 N 0.31 -0.03 -2.05 0.00 -0.00 -0.51 -2.88 115.31 110.14 2a3j h LEU 49 Ca 0.29 -0.56 0.12 0.00 -0.00 0.00 0.00 57.88 57.72 2a3j h LEU 49 Cb 0.71 0.01 -0.02 0.00 -0.00 0.00 0.00 40.66 41.37 2a3j h LEU 49 CO -0.07 0.56 0.34 -0.07 -0.00 0.00 0.00 178.44 179.20 2a3j h LEU 50 N -0.64 0.00 -0.07 1.67 3.38 -0.72 -1.11 115.31 117.82 2a3j h LEU 50 Ca -0.00 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 2a3j h LEU 50 Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 2a3j h LEU 50 CO 0.01 0.00 -0.31 0.22 0.09 0.00 0.00 178.44 178.45 2a3j h TYR 51 N 0.00 0.44 -0.16 1.13 5.03 -1.32 -2.47 116.97 119.61 2a3j h TYR 51 Ca 0.19 -0.19 0.05 0.00 2.58 0.00 0.00 58.73 61.36 2a3j h TYR 51 Cb 0.87 -0.07 -0.06 0.00 1.55 0.00 0.00 36.73 39.02 2a3j h TYR 51 CO 0.00 0.92 -0.29 0.00 -1.32 0.00 0.00 178.16 177.47 2a3j h ALA 52 N 0.43 -0.29 -0.74 1.82 0.00 -0.99 0.24 119.26 119.73 2a3j h ALA 52 Ca -0.02 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2a3j h ALA 52 Cb 0.96 0.57 -0.04 0.00 0.00 0.00 0.00 17.79 19.28 2a3j h ALA 52 CO 0.06 -0.75 0.41 -0.07 0.00 0.00 0.00 179.25 178.91 2a3j h LEU 53 N -0.35 0.93 0.00 0.00 3.38 -1.60 -2.23 115.31 115.44 2a3j h LEU 53 Ca 0.11 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2a3j h LEU 53 Cb 0.51 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 2a3j h LEU 53 CO -0.36 0.75 -0.02 0.00 0.09 0.00 0.00 178.44 178.90 2a3j h ALA 54 N 1.21 -0.02 -0.07 1.53 0.00 -0.84 -2.09 119.26 118.97 2a3j h ALA 54 Ca 0.26 0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.20 2a3j h ALA 54 Cb 0.03 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 2a3j h ALA 54 CO -0.04 -0.52 0.05 1.03 0.00 0.00 0.00 179.25 179.77 2a3j h SER 55 N -0.04 0.00 0.16 0.00 0.87 -0.37 0.36 113.55 114.53 2a3j h SER 55 Ca 0.01 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 2a3j h SER 55 Cb 0.06 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 2a3j h SER 55 CO -0.03 0.00 0.00 -1.28 -0.53 0.00 0.00 176.83 174.99 2a3j h SER 56 N 0.00 0.00 0.00 6.23 0.87 -0.75 -3.36 113.55 116.54 2a3j h SER 56 Ca 0.03 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 2a3j h SER 56 Cb 0.14 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.10 2a3j h SER 56 CO -0.00 0.00 0.00 0.00 -0.53 0.00 0.00 176.83 176.30 2a3j n GLN 57 N -2.75 0.00 -4.58 2.24 1.13 -0.05 -5.11 117.38 108.25 2a3j n GLN 57 Ca -0.02 0.00 -0.27 0.00 -1.94 0.00 0.00 57.00 54.77 2a3j n GLN 57 Cb 0.09 -0.04 -0.11 0.00 0.11 0.00 0.00 30.24 30.29 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 -2.46 2.37 0.34 1.08 0.00 -0.24 -4.99 107.32 103.42 2a3j s GLY 58 Ca 0.00 -2.22 -0.27 0.00 0.00 0.00 0.00 44.72 42.23 2a3j s GLY 58 CO 0.00 -2.06 1.09 0.99 0.00 0.00 0.00 173.10 173.13 2a3j s ASP 59 N -3.66 6.97 -0.11 1.64 1.11 -1.26 -3.47 116.67 117.89 2a3j s ASP 59 Ca 0.34 2.20 -0.03 0.00 0.18 0.00 0.00 52.55 55.25 2a3j s ASP 59 Cb 0.08 -2.61 -0.03 0.00 1.07 0.00 0.00 42.92 41.42 2a3j s ASP 59 CO 0.17 -0.35 0.01 -0.63 1.18 0.00 0.00 175.17 175.55 2a3j s ILE 60 N -1.38 4.35 -0.24 0.77 1.09 -1.26 -1.68 121.20 122.84 2a3j s ILE 60 Ca 0.51 -0.22 -0.00 0.00 -1.10 0.00 0.00 60.65 59.83 2a3j s ILE 60 Cb -0.28 -2.85 -0.15 0.00 -1.06 0.00 0.00 42.46 38.11 2a3j s ILE 60 CO 0.36 0.58 -0.23 0.18 -0.10 0.00 0.00 174.94 175.72 2a3j n LEU 61 N 2.48 2.82 -3.59 2.97 4.77 -0.75 -4.90 117.00 120.79 2a3j n LEU 61 Ca -0.18 -0.07 -0.01 0.00 -0.03 0.00 0.00 56.01 55.72 2a3j n LEU 61 Cb 0.53 -0.83 -0.04 0.00 -2.33 0.00 0.00 43.42 40.75 2a3j n LEU 61 CO 0.30 0.86 0.37 1.51 -1.33 0.00 0.00 177.39 179.09 2a3j s ASP 62 N -6.48 -0.97 -0.39 -1.43 -4.77 -1.20 -5.07 116.67 96.35 2a3j s ASP 62 Ca -0.33 1.36 -0.14 0.00 -3.30 0.00 0.00 52.55 50.13 2a3j s ASP 62 Cb 0.09 2.04 0.01 0.00 -1.09 0.00 0.00 42.92 43.97 2a3j s ASP 62 CO 0.54 -0.19 0.28 -0.63 0.70 0.00 0.00 175.17 175.87 2a3j s ILE 63 N 2.64 5.22 0.06 2.11 1.01 -1.26 -1.58 121.20 129.38 2a3j s ILE 63 Ca -0.06 -0.59 -0.06 0.00 0.00 0.00 0.00 60.65 59.94 2a3j s ILE 63 Cb -0.10 -3.86 -0.05 0.00 0.01 0.00 0.00 42.46 38.46 2a3j s ILE 63 CO -0.19 -0.25 0.31 -0.69 0.00 0.00 0.00 174.94 174.13 2a3j s VAL 64 N 1.68 5.24 -0.03 2.92 1.01 0.16 -4.99 120.40 126.39 2a3j s VAL 64 Ca 0.05 0.14 -0.02 0.00 0.00 0.00 0.00 61.98 62.15 2a3j s VAL 64 Cb -0.19 -3.60 0.02 0.00 0.00 0.00 0.00 36.38 32.61 2a3j s VAL 64 CO 0.10 0.25 0.07 -0.69 0.00 0.00 0.00 175.10 174.83 2a3j s VAL 65 N -1.43 -0.02 0.00 2.92 1.01 -1.26 -0.07 120.40 121.55 2a3j s VAL 65 Ca 0.33 0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.38 2a3j s VAL 65 Cb -0.13 -0.12 0.00 0.00 0.00 0.00 0.00 36.38 36.13 2a3j s VAL 65 CO 0.20 0.03 0.00 -0.67 0.00 0.00 0.00 175.10 174.66 2a3j n ASP 66 N 3.48 -0.65 -1.37 3.32 2.03 -0.98 -4.87 116.55 117.51 2a3j n ASP 66 Ca -0.18 -0.04 0.05 0.00 0.52 0.00 0.00 54.79 55.14 2a3j n ASP 66 Cb 0.56 0.00 0.26 0.00 -0.72 0.00 0.00 41.12 41.23 2a3j n ASP 66 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2a3j n LEU 67 N 0.00 3.97 -3.53 -2.67 -0.00 -1.26 -4.93 117.00 108.58 2a3j n LEU 67 Ca 0.00 -2.01 -0.23 0.00 -0.00 0.00 0.00 56.01 53.77 2a3j n LEU 67 Cb 0.00 -0.59 0.03 0.00 -0.00 0.00 0.00 43.42 42.86 2a3j n LEU 67 CO 0.00 0.52 -0.00 -1.20 -0.00 0.00 0.00 177.39 176.70 2a3j n SER 68 N 0.48 -5.89 -4.78 1.45 7.64 -1.26 -4.93 113.62 106.32 2a3j n SER 68 Ca 0.18 -0.79 -0.36 0.00 1.01 0.00 0.00 58.87 58.91 2a3j n SER 68 Cb 0.83 -3.68 -0.05 0.00 -1.01 0.00 0.00 64.21 60.30 2a3j n SER 68 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2a3j s ASP 69 N -3.29 6.88 0.00 6.43 1.01 -1.26 -4.71 116.67 121.73 2a3j s ASP 69 Ca 0.31 1.99 0.22 0.00 0.71 0.00 0.00 52.55 55.77 2a3j s ASP 69 Cb -0.10 -2.58 1.06 0.00 1.01 0.00 0.00 42.92 42.31 2a3j s ASP 69 CO 0.83 -0.41 1.71 0.47 0.21 0.00 0.00 175.17 177.98 2a3j n ASP 70 N 0.02 0.00 -0.00 0.27 9.92 -1.26 -1.46 116.55 124.04 2a3j n ASP 70 Ca 0.04 0.12 0.00 0.00 -0.53 0.00 0.00 54.79 54.43 2a3j n ASP 70 Cb 0.50 -0.35 -0.00 0.00 -0.64 0.00 0.00 41.12 40.63 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 -1.35 0.08 0.00 -2.24 2.85 -1.26 -4.91 115.26 108.43 2a3j n ASN 71 Ca 0.09 -0.54 0.00 0.00 -0.11 0.00 0.00 54.58 54.02 2a3j n ASN 71 Cb 0.20 0.93 0.00 0.00 1.24 0.00 0.00 39.78 42.15 2a3j n ASN 71 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 2a3j n SER 72 N -0.93 0.00 -2.88 1.20 7.64 -1.11 -5.11 113.62 112.43 2a3j n SER 72 Ca 0.00 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.87 2a3j n SER 72 Cb 0.00 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.19 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 3.56 -2.83 3.69 0.23 0.00 -0.54 -4.56 105.19 104.73 2a3j n GLY 73 Ca 0.00 0.35 -0.11 0.00 0.00 0.00 0.00 46.02 46.26 2a3j n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2a3j s LYS 74 N -1.47 2.13 0.14 1.61 -2.85 -1.26 -2.99 119.74 115.05 2a3j s LYS 74 Ca 0.01 -1.57 -0.24 0.00 -1.00 0.00 0.00 55.97 53.17 2a3j s LYS 74 Cb -0.00 0.56 0.08 0.00 -2.06 0.00 0.00 37.83 36.40 2a3j s LYS 74 CO 0.54 -0.96 1.04 0.00 0.10 0.00 0.00 175.35 176.07 2a3j s ALA 75 N -2.56 -1.71 -0.05 0.59 0.00 -0.52 -2.33 121.76 115.18 2a3j s ALA 75 Ca 0.21 -0.02 -0.00 0.00 0.00 0.00 0.00 51.96 52.15 2a3j s ALA 75 Cb -0.03 0.67 0.03 0.00 0.00 0.00 0.00 23.12 23.78 2a3j s ALA 75 CO 0.15 -1.06 -0.01 0.71 0.00 0.00 0.00 175.76 175.55 2a3j s TYR 76 N -2.66 0.51 -0.37 0.00 1.51 0.90 -0.24 117.35 117.00 2a3j s TYR 76 Ca 0.17 -0.08 -0.08 0.00 -1.01 0.00 0.00 57.07 56.07 2a3j s TYR 76 Cb -0.01 -0.59 0.05 0.00 -0.11 0.00 0.00 41.96 41.30 2a3j s TYR 76 CO 0.03 -0.20 0.18 0.42 -1.11 0.00 0.00 175.55 174.86 2a3j s ILE 77 N 1.32 4.11 -0.14 2.71 1.01 0.74 0.39 121.20 131.34 2a3j s ILE 77 Ca -0.05 -1.16 -0.25 0.00 0.00 0.00 0.00 60.65 59.19 2a3j s ILE 77 Cb -0.13 -3.38 -0.02 0.00 0.01 0.00 0.00 42.46 38.93 2a3j s ILE 77 CO -0.02 -0.30 0.82 -0.69 0.00 0.00 0.00 174.94 174.74 2a3j s VAL 78 N 1.44 4.91 0.45 2.92 1.01 -0.62 -1.63 120.40 128.89 2a3j s VAL 78 Ca 0.01 1.62 0.06 0.00 0.00 0.00 0.00 61.98 63.67 2a3j s VAL 78 Cb -0.20 -4.13 0.06 0.00 0.00 0.00 0.00 36.38 32.11 2a3j s VAL 78 CO 0.03 0.08 0.50 0.49 0.00 0.00 0.00 175.10 176.20 2a3j n PHE 79 N 4.88 -1.64 -0.02 5.22 3.72 -0.30 -1.82 117.46 127.50 2a3j n PHE 79 Ca 0.03 -1.78 -0.08 0.00 -0.05 0.00 0.00 57.45 55.58 2a3j n PHE 79 Cb 0.49 -0.40 0.10 0.00 -0.94 0.00 0.00 39.48 38.73 2a3j n PHE 79 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2a3j h ALA 80 N 0.43 0.83 -2.41 4.37 0.00 -1.56 -3.41 119.26 117.51 2a3j h ALA 80 Ca -0.25 -0.44 0.12 0.00 0.00 0.00 0.00 54.91 54.34 2a3j h ALA 80 Cb 1.01 -0.11 -0.12 0.00 0.00 0.00 0.00 17.79 18.57 2a3j h ALA 80 CO 0.37 0.65 0.45 0.95 0.00 0.00 0.00 179.25 181.67 2a3j s THR 81 N -4.26 0.00 0.55 0.00 -4.23 -1.26 -4.96 115.64 101.48 2a3j s THR 81 Ca -0.08 -0.28 0.28 0.00 -1.18 0.00 0.00 61.69 60.43 2a3j s THR 81 Cb 0.12 -1.41 0.41 0.00 1.34 0.00 0.00 72.50 72.96 2a3j s THR 81 CO 0.83 0.00 1.96 -0.61 -0.54 0.00 0.00 174.62 176.25 2a3j h GLN 82 N 2.00 0.00 0.08 3.99 -0.00 -1.86 -0.94 115.11 118.38 2a3j h GLN 82 Ca -0.24 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.41 2a3j h GLN 82 Cb 1.24 0.00 -0.00 0.00 0.00 0.00 0.00 27.48 28.72 2a3j h GLN 82 CO 0.29 0.00 -0.06 0.93 0.00 0.00 0.00 178.83 179.99 2a3j h GLU 83 N 0.00 -0.14 -0.07 1.69 5.08 -1.95 0.36 114.58 119.55 2a3j h GLU 83 Ca 0.26 0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.55 2a3j h GLU 83 Cb 1.16 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.44 2a3j h GLU 83 CO -0.00 -0.09 -0.29 0.77 -1.00 0.00 0.00 179.01 178.40 2a3j h SER 84 N -0.15 0.37 0.04 1.42 0.02 -1.65 -2.89 113.55 110.72 2a3j h SER 84 Ca -0.00 -0.64 0.03 0.00 -0.84 0.00 0.00 61.79 60.33 2a3j h SER 84 Cb 0.13 -0.11 -0.05 0.00 0.14 0.00 0.00 62.40 62.51 2a3j h SER 84 CO 0.00 0.95 -0.36 0.00 -1.14 0.00 0.00 176.83 176.28 2a3j h ALA 85 N 0.43 -0.57 -0.85 3.77 0.00 -1.19 -1.12 119.26 119.73 2a3j h ALA 85 Ca -0.02 -0.04 0.11 0.00 0.00 0.00 0.00 54.91 54.96 2a3j h ALA 85 Cb 0.93 0.62 -0.08 0.00 0.00 0.00 0.00 17.79 19.27 2a3j h ALA 85 CO 0.06 -0.89 0.48 0.37 0.00 0.00 0.00 179.25 179.27 2a3j h GLN 86 N -0.54 0.75 -0.14 0.00 4.15 -1.02 0.31 115.11 118.62 2a3j h GLN 86 Ca 0.05 -0.05 0.03 0.00 0.77 0.00 0.00 58.65 59.45 2a3j h GLN 86 Cb 0.61 -0.17 -0.03 0.00 0.21 0.00 0.00 27.48 28.10 2a3j h GLN 86 CO -0.26 0.50 -0.04 0.00 -1.93 0.00 0.00 178.83 177.10 2a3j h ALA 87 N 1.49 0.09 -0.21 3.38 0.00 -1.13 -0.51 119.26 122.36 2a3j h ALA 87 Ca 0.42 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.31 2a3j h ALA 87 Cb 0.44 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2a3j h ALA 87 CO -0.27 -0.49 -0.20 0.35 0.00 0.00 0.00 179.25 178.64 2a3j h PHE 88 N -0.01 0.40 -0.36 0.00 3.57 -0.50 0.26 116.94 120.30 2a3j h PHE 88 Ca 0.07 -0.07 -0.04 0.00 3.53 0.00 0.00 57.97 61.47 2a3j h PHE 88 Cb 0.11 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 2a3j h PHE 88 CO -0.18 0.55 0.09 0.28 -2.23 0.00 0.00 178.31 176.82 2a3j h VAL 89 N 0.33 1.22 0.00 1.41 2.07 -0.28 -1.36 116.25 119.64 2a3j h VAL 89 Ca 0.06 -0.76 -0.06 0.00 0.82 0.00 0.00 66.70 66.75 2a3j h VAL 89 Cb 0.54 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 2a3j h VAL 89 CO 0.04 0.26 -0.47 -0.33 0.02 0.00 0.00 177.57 177.09 2a3j h GLU 90 N 0.44 0.00 0.00 1.57 4.39 -0.94 0.25 114.58 120.28 2a3j h GLU 90 Ca 0.11 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.77 2a3j h GLU 90 Cb 0.30 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 2a3j h GLU 90 CO 0.00 0.25 -0.23 0.00 -1.16 0.00 0.00 179.01 177.87 2a3j h ALA 91 N 1.72 0.91 0.00 3.43 0.00 -0.29 -3.27 119.26 121.76 2a3j h ALA 91 Ca -0.02 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2a3j h ALA 91 Cb 1.23 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2a3j h ALA 91 CO 0.03 0.28 0.00 1.19 0.00 0.00 0.00 179.25 180.76 2a3j n PHE 92 N -3.23 0.00 -0.33 0.00 3.01 -0.53 -4.77 117.46 111.61 2a3j n PHE 92 Ca 0.02 -0.27 0.30 0.00 1.01 0.00 0.00 57.45 58.51 2a3j n PHE 92 Cb 0.54 -0.03 0.64 0.00 -0.01 0.00 0.00 39.48 40.62 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 0.00 0.16 -2.02 -1.08 4.15 -0.55 -2.65 115.11 113.12 2a3j h GLN 93 Ca 0.00 -0.01 -0.50 0.00 0.77 0.00 0.00 58.65 58.91 2a3j h GLN 93 Cb 0.54 -0.04 -0.40 0.00 0.21 0.00 0.00 27.48 27.79 2a3j h GLN 93 CO 0.00 0.11 -1.08 0.41 -1.93 0.00 0.00 178.83 176.34 2a3j n GLY 94 N -1.63 3.97 3.18 2.39 0.00 -1.26 -4.74 105.19 107.10 2a3j n GLY 94 Ca 0.26 -1.91 -0.27 0.00 0.00 0.00 0.00 46.02 44.10 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 -2.68 1.89 -0.43 1.61 6.14 -1.00 -5.08 117.35 117.80 2a3j s TYR 95 Ca 0.41 -0.52 -0.28 0.00 0.64 0.00 0.00 57.07 57.33 2a3j s TYR 95 Cb 0.34 -1.25 -0.01 0.00 0.42 0.00 0.00 41.96 41.45 2a3j s TYR 95 CO -0.09 -0.15 1.75 -1.25 0.64 0.00 0.00 175.55 176.45 2a3j s PRO 96 N -0.10 3.16 -0.00 4.97 0.04 -1.26 -4.26 135.00 137.55 2a3j s PRO 96 Ca -0.02 1.09 -0.02 0.00 0.04 0.00 0.00 61.00 62.09 2a3j s PRO 96 Cb -0.11 -4.23 -0.00 0.00 0.04 0.00 0.00 34.50 30.19 2a3j s PRO 96 CO 0.02 -2.08 0.03 0.12 0.04 0.00 0.00 177.00 175.13 2a3j s PHE 97 N 7.32 0.07 -1.08 0.56 5.36 -1.25 -4.81 117.98 124.15 2a3j s PHE 97 Ca 0.73 -0.15 0.00 0.00 -0.96 0.00 0.00 56.93 56.55 2a3j s PHE 97 Cb -0.18 -0.07 0.00 0.00 -0.34 0.00 0.00 43.02 42.43 2a3j s PHE 97 CO 0.29 -0.12 0.00 0.94 -1.46 0.00 0.00 175.22 174.88 2a3j n GLN 98 N 2.32 -2.12 0.00 10.12 0.00 -1.26 -3.03 117.38 123.41 2a3j n GLN 98 Ca -0.18 0.61 0.00 0.00 -0.00 0.00 0.00 57.00 57.43 2a3j n GLN 98 Cb 0.57 -5.17 0.00 0.00 0.00 0.00 0.00 30.24 25.64 2a3j n GLN 98 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2a3j n GLY 99 N -0.74 2.05 0.00 1.69 0.00 -1.26 -4.74 105.19 102.19 2a3j n GLY 99 Ca -0.14 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.45 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 4.13 -1.17 -5.00 115.26 110.27 2a3j n ASN 100 Ca 0.00 0.00 -0.39 0.00 1.68 0.00 0.00 54.58 55.87 2a3j n ASN 100 Cb 0.00 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 38.21 2a3j n ASN 100 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 2a3j s PRO 101 N 0.00 2.80 -0.20 3.52 0.04 -1.26 -3.88 135.00 136.03 2a3j s PRO 101 Ca 0.00 0.77 -0.03 0.00 0.04 0.00 0.00 61.00 61.78 2a3j s PRO 101 Cb 0.00 -4.34 -0.01 0.00 0.04 0.00 0.00 34.50 30.20 2a3j s PRO 101 CO 0.00 -2.52 -0.08 -1.17 0.04 0.00 0.00 177.00 173.27 2a3j s LEU 102 N 8.50 2.78 -0.17 -3.56 0.20 -1.26 -4.86 118.68 120.30 2a3j s LEU 102 Ca 0.69 -0.40 0.00 0.00 0.69 0.00 0.00 54.13 55.11 2a3j s LEU 102 Cb -0.14 -1.68 0.01 0.00 -0.43 0.00 0.00 46.19 43.94 2a3j s LEU 102 CO 0.24 0.02 -0.16 0.54 -0.29 0.00 0.00 176.35 176.69 2a3j s VAL 103 N 1.22 2.46 -0.09 1.68 0.11 -1.26 -4.64 120.40 119.89 2a3j s VAL 103 Ca 0.02 -0.82 0.01 0.00 -2.93 0.00 0.00 61.98 58.26 2a3j s VAL 103 Cb -0.14 -2.05 0.02 0.00 -1.53 0.00 0.00 36.38 32.68 2a3j s VAL 103 CO -0.03 0.51 -0.08 0.27 -3.33 0.00 0.00 175.10 172.44 2a3j s ILE 104 N 1.10 0.98 0.31 7.04 -0.00 -1.26 -3.48 121.20 125.89 2a3j s ILE 104 Ca 0.00 -0.31 -0.01 0.00 -0.00 0.00 0.00 60.65 60.33 2a3j s ILE 104 Cb -0.14 -0.96 -0.01 0.00 -0.00 0.00 0.00 42.46 41.34 2a3j s ILE 104 CO -0.06 0.34 0.39 0.42 -0.00 0.00 0.00 174.94 176.03 2a3j s THR 105 N 1.29 0.00 0.00 8.37 -4.23 -0.87 -4.89 115.64 115.30 2a3j s THR 105 Ca -0.03 -1.73 0.00 0.00 -1.18 0.00 0.00 61.69 58.75 2a3j s THR 105 Cb -0.14 -2.55 0.00 0.00 1.34 0.00 0.00 72.50 71.15 2a3j s THR 105 CO -0.03 0.00 0.00 0.49 -0.54 0.00 0.00 174.62 174.54 2a3j n PHE 106 N -0.53 -3.53 -3.84 3.99 3.01 -1.26 0.02 117.46 115.32 2a3j n PHE 106 Ca 0.02 0.00 -0.04 0.00 1.01 0.00 0.00 57.45 58.44 2a3j n PHE 106 Cb 0.62 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 40.11 2a3j n PHE 106 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 2a3j n SER 107 N -2.95 -1.78 -4.82 4.37 7.64 -1.19 -4.00 113.62 110.89 2a3j n SER 107 Ca 0.00 -2.02 -0.37 0.00 1.01 0.00 0.00 58.87 57.49 2a3j n SER 107 Cb 0.00 2.92 -0.06 0.00 -1.01 0.00 0.00 64.21 66.06 2a3j n SER 107 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2a3j s GLU 108 N -2.06 4.16 -0.81 1.43 2.02 -1.26 -4.83 118.70 117.35 2a3j s GLU 108 Ca 0.20 0.72 0.02 0.00 0.02 0.00 0.00 54.97 55.93 2a3j s GLU 108 Cb -0.03 -3.03 0.24 0.00 0.10 0.00 0.00 34.13 31.41 2a3j s GLU 108 CO 0.07 0.51 0.87 0.25 0.02 0.00 0.00 175.26 176.97 2a3j n THR 109 N 1.10 3.02 -0.88 3.63 -2.24 -1.26 -5.01 114.28 112.64 2a3j n THR 109 Ca -0.06 -5.28 -0.21 0.00 -2.27 0.00 0.00 64.05 56.23 2a3j n THR 109 Cb 0.51 -2.19 0.18 0.00 -2.10 0.00 0.00 70.33 66.73 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 1.49 -2.52 -2.00 -0.78 -0.04 -1.26 -4.19 135.00 125.72 2a3j n PRO 110 Ca 0.26 -1.23 -0.17 0.00 -0.04 0.00 0.00 63.50 62.32 2a3j n PRO 110 Cb 0.38 -1.15 -0.04 0.00 -0.04 0.00 0.00 33.50 32.65 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 -3.85 -1.32 -0.03 0.54 7.27 -1.26 -4.88 117.38 113.85 2a3j n GLN 111 Ca 0.11 0.96 -0.19 0.00 0.07 0.00 0.00 57.00 57.94 2a3j n GLN 111 Cb 0.41 -5.33 -0.14 0.00 2.41 0.00 0.00 30.24 27.59 2a3j n GLN 111 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 2a3j n SER 112 N -1.12 1.87 0.16 1.69 7.64 -1.26 -4.10 113.62 118.49 2a3j n SER 112 Ca -0.19 0.15 0.18 0.00 1.01 0.00 0.00 58.87 60.01 2a3j n SER 112 Cb 0.62 -0.60 0.79 0.00 -1.01 0.00 0.00 64.21 64.01 2a3j n SER 112 CO 0.00 0.00 0.00 0.06 -3.01 0.00 0.00 175.04 172.09 2a3j h GLN 113 N 0.05 0.00 -0.80 1.43 3.07 -1.92 -0.78 115.11 116.16 2a3j h GLN 113 Ca -0.45 0.00 0.23 0.00 0.09 0.00 0.00 58.65 58.52 2a3j h GLN 113 Cb 2.01 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 29.54 2a3j h GLN 113 CO 0.05 0.00 0.58 -0.39 0.09 0.00 0.00 178.83 179.16 2a3j h VAL 114 N 0.00 0.58 -0.36 1.86 -1.51 -1.97 -0.06 116.25 114.80 2a3j h VAL 114 Ca 0.13 0.00 -0.00 0.00 -1.23 0.00 0.00 66.70 65.60 2a3j h VAL 114 Cb 0.69 0.59 -0.02 0.00 -2.13 0.00 0.00 31.29 30.43 2a3j h VAL 114 CO -0.00 0.00 0.21 0.00 -1.23 0.00 0.00 177.57 176.55 2a3j h ALA 115 N 1.59 0.46 -0.19 5.19 0.00 -1.40 -3.03 119.26 121.87 2a3j h ALA 115 Ca 0.38 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.19 2a3j h ALA 115 Cb 1.54 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 2a3j h ALA 115 CO -0.00 -0.05 -0.06 1.49 0.00 0.00 0.00 179.25 180.63 2a3j h GLU 116 N 0.46 0.38 -0.02 0.00 4.81 -1.20 -3.54 114.58 115.47 2a3j h GLU 116 Ca 0.13 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2a3j h GLU 116 Cb 0.01 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.37 2a3j h GLU 116 CO -0.02 0.65 0.00 -3.47 -0.73 0.00 0.00 179.01 175.44