#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 0.25 -2.82 0.04 -1.26 -4.98 135.00 129.81 2a3j s PRO 23 Ca 0.00 1.46 -0.30 0.00 0.04 0.00 0.00 61.00 62.20 2a3j s PRO 23 Cb 0.00 -4.10 -0.09 0.00 0.04 0.00 0.00 34.50 30.35 2a3j s PRO 23 CO 0.00 -1.56 1.26 -1.25 0.04 0.00 0.00 177.00 175.49 2a3j s PRO 24 N 5.12 4.43 -0.49 0.56 0.04 -1.26 -5.00 135.00 138.40 2a3j s PRO 24 Ca 0.73 2.05 -0.14 0.00 0.04 0.00 0.00 61.00 63.69 2a3j s PRO 24 Cb -0.22 -3.16 0.10 0.00 0.04 0.00 0.00 34.50 31.26 2a3j s PRO 24 CO 0.32 -0.14 0.41 -1.01 0.04 0.00 0.00 177.00 176.61 2a3j s HIS 25 N -0.51 3.29 -0.17 0.56 3.76 -1.26 -4.92 115.29 116.04 2a3j s HIS 25 Ca 0.52 -1.31 -0.18 0.00 -0.15 0.00 0.00 55.06 53.94 2a3j s HIS 25 Cb -0.36 -3.43 -0.15 0.00 1.11 0.00 0.00 32.58 29.75 2a3j s HIS 25 CO 0.43 -0.92 0.22 1.79 -0.85 0.00 0.00 174.74 175.41 2a3j h THR 26 N 5.92 0.80 -3.34 1.30 1.35 -2.05 -3.48 112.91 113.40 2a3j h THR 26 Ca -0.27 -1.83 -0.40 0.00 -0.55 0.00 0.00 66.41 63.36 2a3j h THR 26 Cb 1.10 1.74 -0.16 0.00 -1.73 0.00 0.00 68.15 69.10 2a3j h THR 26 CO 0.92 0.27 -0.74 -1.83 -0.25 0.00 0.00 175.52 173.89 2a3j s GLU 27 N -2.22 1.11 0.00 4.72 -1.05 -1.26 -5.07 118.70 114.94 2a3j s GLU 27 Ca -0.21 -1.39 -0.24 0.00 -0.15 0.00 0.00 54.97 52.99 2a3j s GLU 27 Cb 0.03 -0.88 -0.18 0.00 -0.44 0.00 0.00 34.13 32.65 2a3j s GLU 27 CO 0.47 0.15 1.29 -1.00 0.95 0.00 0.00 175.26 177.12 2a3j h PRO 28 N 3.06 0.14 -4.97 -4.83 0.13 -1.94 -3.49 132.00 120.10 2a3j h PRO 28 Ca -0.38 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2a3j h PRO 28 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2a3j h PRO 28 CO 0.57 0.59 -0.14 0.43 -0.23 0.00 0.00 178.00 179.21 2a3j n SER 29 N -4.74 -6.93 -1.79 1.44 7.64 -1.26 -4.43 113.62 103.55 2a3j n SER 29 Ca -0.08 0.12 -0.08 0.00 1.01 0.00 0.00 58.87 59.85 2a3j n SER 29 Cb 0.29 -4.66 0.22 0.00 -1.01 0.00 0.00 64.21 59.06 2a3j n SER 29 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2a3j n GLN 30 N -1.19 2.94 -4.06 1.43 6.02 -1.26 -3.66 117.38 117.60 2a3j n GLN 30 Ca 0.03 -2.41 -0.09 0.00 -0.01 0.00 0.00 57.00 54.53 2a3j n GLN 30 Cb 0.46 -2.01 -0.11 0.00 1.02 0.00 0.00 30.24 29.61 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 -2.49 0.30 -0.00 5.09 -7.23 -1.26 -1.49 120.40 113.32 2a3j s VAL 31 Ca 0.44 -1.42 0.05 0.00 -1.81 0.00 0.00 61.98 59.24 2a3j s VAL 31 Cb 0.35 -0.98 -0.01 0.00 0.56 0.00 0.00 36.38 36.30 2a3j s VAL 31 CO 0.10 -0.72 -0.16 0.68 -0.31 0.00 0.00 175.10 174.69 2a3j s VAL 32 N -2.67 1.26 -0.23 1.32 -7.23 -0.62 -2.55 120.40 109.68 2a3j s VAL 32 Ca -0.03 -0.73 -0.06 0.00 -1.81 0.00 0.00 61.98 59.36 2a3j s VAL 32 Cb -0.01 -1.06 -0.02 0.00 0.56 0.00 0.00 36.38 35.85 2a3j s VAL 32 CO -0.05 0.31 0.02 -0.22 -0.31 0.00 0.00 175.10 174.86 2a3j s LEU 33 N -0.48 3.25 0.06 1.32 2.96 0.43 -0.76 118.68 125.46 2a3j s LEU 33 Ca 0.06 -0.25 0.04 0.00 -0.22 0.00 0.00 54.13 53.76 2a3j s LEU 33 Cb -0.06 -1.85 -0.04 0.00 0.50 0.00 0.00 46.19 44.74 2a3j s LEU 33 CO -0.00 0.00 -0.02 0.27 -1.32 0.00 0.00 176.35 175.28 2a3j s ILE 34 N 1.37 3.94 0.17 6.68 -0.00 0.06 -3.00 121.20 130.41 2a3j s ILE 34 Ca 0.05 -0.91 0.00 0.00 -0.00 0.00 0.00 60.65 59.79 2a3j s ILE 34 Cb -0.15 -2.83 -0.00 0.00 -0.00 0.00 0.00 42.46 39.48 2a3j s ILE 34 CO 0.01 0.20 0.21 0.35 -0.00 0.00 0.00 174.94 175.71 2a3j n THR 35 N 0.86 0.00 -1.72 8.37 -2.24 -1.25 -1.49 114.28 116.82 2a3j n THR 35 Ca -0.12 -0.94 -0.17 0.00 -2.27 0.00 0.00 64.05 60.55 2a3j n THR 35 Cb 0.52 0.54 -0.05 0.00 -2.10 0.00 0.00 70.33 69.24 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 -2.03 -4.98 -4.79 3.42 2.85 -1.22 -4.04 115.26 104.47 2a3j n ASN 36 Ca 0.01 0.29 -0.39 0.00 -0.11 0.00 0.00 54.58 54.39 2a3j n ASN 36 Cb 0.28 -3.99 -0.06 0.00 1.24 0.00 0.00 39.78 37.26 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 -2.68 4.85 -0.14 -1.44 -4.36 -1.18 -4.80 121.20 111.45 2a3j s ILE 37 Ca 0.00 1.19 -0.29 0.00 -0.26 0.00 0.00 60.65 61.29 2a3j s ILE 37 Cb 0.00 -3.89 -0.02 0.00 1.25 0.00 0.00 42.46 39.79 2a3j s ILE 37 CO 0.00 0.49 1.32 0.21 0.24 0.00 0.00 174.94 177.20 2a3j s ASN 38 N -0.65 6.90 0.00 4.36 3.84 -1.26 -4.59 114.94 123.54 2a3j s ASN 38 Ca 0.29 1.78 0.15 0.00 0.21 0.00 0.00 52.86 55.29 2a3j s ASN 38 Cb -0.19 -2.54 0.70 0.00 -0.55 0.00 0.00 41.25 38.68 2a3j s ASN 38 CO 0.17 -0.78 1.42 -0.81 -2.79 0.00 0.00 177.10 174.31 2a3j n PRO 39 N 6.65 0.15 -0.08 0.43 -0.04 -1.26 -3.29 135.00 137.56 2a3j n PRO 39 Ca 0.14 0.18 0.25 0.00 -0.04 0.00 0.00 63.50 64.03 2a3j n PRO 39 Cb 0.45 -1.50 0.72 0.00 -0.04 0.00 0.00 33.50 33.12 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 -5.68 0.54 5.08 -1.92 -3.39 114.58 109.21 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 0.17 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.34 2a3j h GLU 40 CO 0.00 0.00 -0.29 0.54 -1.00 0.00 0.00 179.01 178.26 2a3j s VAL 41 N -4.86 5.24 0.35 3.13 0.11 -1.21 -5.07 120.40 118.10 2a3j s VAL 41 Ca -0.05 0.63 -0.28 0.00 -2.93 0.00 0.00 61.98 59.36 2a3j s VAL 41 Cb 0.19 -3.65 -0.09 0.00 -1.53 0.00 0.00 36.38 31.30 2a3j s VAL 41 CO 0.69 0.46 1.21 -2.16 -3.33 0.00 0.00 175.10 171.98 2a3j s PRO 42 N -0.12 4.31 0.46 1.54 0.04 -1.26 -4.72 135.00 135.25 2a3j s PRO 42 Ca 0.19 1.99 0.27 0.00 0.04 0.00 0.00 61.00 63.50 2a3j s PRO 42 Cb -0.14 -2.95 1.33 0.00 0.04 0.00 0.00 34.50 32.77 2a3j s PRO 42 CO 0.07 -0.15 1.77 -0.22 0.04 0.00 0.00 177.00 178.51 2a3j h LYS 43 N 3.21 0.19 -0.18 4.56 3.11 -1.94 0.34 116.57 125.87 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 1.23 -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 0.93 -2.81 0.00 0.00 179.45 177.98 2a3j h GLU 44 N 0.20 -0.39 0.16 1.90 5.08 -1.99 0.42 114.58 119.95 2a3j h GLU 44 Ca 0.61 0.03 -0.29 0.00 -1.00 0.00 0.00 59.36 58.71 2a3j h GLU 44 Cb 1.95 0.09 0.01 0.00 0.50 0.00 0.00 28.75 31.30 2a3j h GLU 44 CO -0.18 -0.26 -1.40 0.87 -1.00 0.00 0.00 179.01 177.03 2a3j h LYS 45 N -0.41 0.33 -0.40 2.33 6.56 -1.51 -3.15 116.57 120.32 2a3j h LYS 45 Ca 0.10 -0.56 0.08 0.00 -1.06 0.00 0.00 60.65 59.21 2a3j h LYS 45 Cb 0.58 0.21 -0.07 0.00 -0.57 0.00 0.00 32.23 32.37 2a3j h LYS 45 CO -0.40 1.27 -0.06 1.25 -2.06 0.00 0.00 179.45 179.45 2a3j h LEU 46 N -0.16 -0.29 -0.07 2.94 5.85 -0.30 0.16 115.31 123.44 2a3j h LEU 46 Ca -0.28 0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.54 2a3j h LEU 46 Cb 1.87 0.21 -0.00 0.00 0.37 0.00 0.00 40.66 43.12 2a3j h LEU 46 CO 0.13 -0.10 0.03 -0.61 -0.34 0.00 0.00 178.44 177.55 2a3j h GLN 47 N 0.04 0.10 -0.36 1.25 4.15 -0.31 -1.67 115.11 118.32 2a3j h GLN 47 Ca 0.19 -0.02 0.07 0.00 0.77 0.00 0.00 58.65 59.66 2a3j h GLN 47 Cb 0.29 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.95 2a3j h GLN 47 CO -0.38 0.21 0.25 0.00 -1.93 0.00 0.00 178.83 176.98 2a3j h ALA 48 N 0.88 2.09 -0.04 3.38 0.00 -1.37 -2.27 119.26 121.93 2a3j h ALA 48 Ca 0.02 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2a3j h ALA 48 Cb 0.15 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2a3j h ALA 48 CO -0.00 -0.17 -0.10 -0.07 0.00 0.00 0.00 179.25 178.91 2a3j h LEU 49 N 0.19 0.15 -2.06 0.00 -0.00 -0.29 -3.03 115.31 110.28 2a3j h LEU 49 Ca 0.16 -0.60 0.11 0.00 -0.00 0.00 0.00 57.88 57.55 2a3j h LEU 49 Cb 0.40 -0.04 -0.01 0.00 -0.00 0.00 0.00 40.66 41.00 2a3j h LEU 49 CO -0.03 0.72 0.35 -0.07 -0.00 0.00 0.00 178.44 179.42 2a3j h LEU 50 N -0.42 0.00 -0.06 1.67 3.38 -0.75 -1.02 115.31 118.12 2a3j h LEU 50 Ca -0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 2a3j h LEU 50 Cb 0.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 2a3j h LEU 50 CO 0.02 0.00 -0.27 0.22 0.09 0.00 0.00 178.44 178.50 2a3j h TYR 51 N 0.00 0.39 -0.20 1.13 5.03 -1.40 -2.22 116.97 119.69 2a3j h TYR 51 Ca 0.18 -0.17 0.06 0.00 2.58 0.00 0.00 58.73 61.38 2a3j h TYR 51 Cb 0.87 -0.06 -0.07 0.00 1.55 0.00 0.00 36.73 39.02 2a3j h TYR 51 CO 0.00 0.89 -0.28 0.00 -1.32 0.00 0.00 178.16 177.45 2a3j h ALA 52 N 0.42 -0.25 -0.33 1.82 0.00 -1.07 0.19 119.26 120.04 2a3j h ALA 52 Ca -0.02 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2a3j h ALA 52 Cb 0.92 0.57 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 2a3j h ALA 52 CO 0.06 -0.73 0.15 -0.07 0.00 0.00 0.00 179.25 178.65 2a3j h LEU 53 N -0.32 0.45 -0.00 0.00 3.38 -1.61 -2.25 115.31 114.96 2a3j h LEU 53 Ca 0.12 -0.15 0.03 0.00 0.09 0.00 0.00 57.88 57.97 2a3j h LEU 53 Cb 0.51 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.10 2a3j h LEU 53 CO -0.38 0.47 -0.24 0.00 0.09 0.00 0.00 178.44 178.38 2a3j h ALA 54 N 1.00 -0.32 -0.38 1.53 0.00 -0.79 -1.19 119.26 119.11 2a3j h ALA 54 Ca 0.11 -0.00 0.07 0.00 0.00 0.00 0.00 54.91 55.09 2a3j h ALA 54 Cb 0.15 0.43 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 2a3j h ALA 54 CO -0.01 -0.74 0.26 1.03 0.00 0.00 0.00 179.25 179.79 2a3j h SER 55 N -0.38 0.18 -0.07 0.00 0.87 -0.56 0.54 113.55 114.13 2a3j h SER 55 Ca 0.06 0.00 0.02 0.00 -1.23 0.00 0.00 61.79 60.64 2a3j h SER 55 Cb 0.46 -0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 62.38 2a3j h SER 55 CO -0.22 0.11 0.12 -1.28 -0.53 0.00 0.00 176.83 175.03 2a3j h SER 56 N 0.20 0.00 0.00 6.23 0.87 -0.59 -3.35 113.55 116.91 2a3j h SER 56 Ca 0.17 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.73 2a3j h SER 56 Cb 0.42 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.38 2a3j h SER 56 CO -0.03 0.00 0.00 0.00 -0.53 0.00 0.00 176.83 176.27 2a3j n GLN 57 N -3.49 0.00 -4.59 2.24 1.13 0.03 -5.11 117.38 107.59 2a3j n GLN 57 Ca -0.01 0.00 -0.27 0.00 -1.94 0.00 0.00 57.00 54.78 2a3j n GLN 57 Cb 0.20 -0.10 -0.11 0.00 0.11 0.00 0.00 30.24 30.35 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 -2.29 2.39 0.45 1.08 0.00 -0.33 -5.01 107.32 103.61 2a3j s GLY 58 Ca 0.00 -2.24 -0.23 0.00 0.00 0.00 0.00 44.72 42.26 2a3j s GLY 58 CO 0.00 -2.06 1.10 0.99 0.00 0.00 0.00 173.10 173.13 2a3j s ASP 59 N -3.67 6.36 -0.13 1.64 1.01 -1.26 -3.41 116.67 117.21 2a3j s ASP 59 Ca 0.34 2.14 -0.03 0.00 0.71 0.00 0.00 52.55 55.72 2a3j s ASP 59 Cb 0.08 -2.59 -0.03 0.00 1.01 0.00 0.00 42.92 41.39 2a3j s ASP 59 CO 0.17 -0.78 -0.03 -0.63 0.21 0.00 0.00 175.17 174.11 2a3j s ILE 60 N -1.67 3.97 -0.11 0.77 1.09 -1.26 -1.57 121.20 122.41 2a3j s ILE 60 Ca 0.63 -0.35 0.20 0.00 -1.10 0.00 0.00 60.65 60.03 2a3j s ILE 60 Cb -0.24 -2.71 -0.28 0.00 -1.06 0.00 0.00 42.46 38.17 2a3j s ILE 60 CO 0.29 0.53 0.32 0.18 -0.10 0.00 0.00 174.94 176.16 2a3j n LEU 61 N 3.03 0.06 -3.41 2.97 4.77 -0.47 -4.91 117.00 119.04 2a3j n LEU 61 Ca -0.18 0.02 0.03 0.00 -0.03 0.00 0.00 56.01 55.86 2a3j n LEU 61 Cb 0.53 0.23 -0.05 0.00 -2.33 0.00 0.00 43.42 41.80 2a3j n LEU 61 CO 0.31 0.23 1.00 -0.62 -1.33 0.00 0.00 177.39 176.99 2a3j s ASP 62 N -5.04 -0.01 -0.34 -1.43 -1.08 -1.22 -5.05 116.67 102.51 2a3j s ASP 62 Ca -0.09 0.01 -0.10 0.00 -0.52 0.00 0.00 52.55 51.85 2a3j s ASP 62 Cb 0.10 1.00 0.01 0.00 -1.46 0.00 0.00 42.92 42.58 2a3j s ASP 62 CO 0.87 -0.00 0.18 -0.63 0.52 0.00 0.00 175.17 176.10 2a3j s ILE 63 N 1.49 4.53 0.05 4.11 1.01 -1.26 -1.28 121.20 129.84 2a3j s ILE 63 Ca -0.04 -0.68 -0.01 0.00 0.00 0.00 0.00 60.65 59.93 2a3j s ILE 63 Cb -0.01 -3.43 -0.04 0.00 0.01 0.00 0.00 42.46 38.99 2a3j s ILE 63 CO -0.12 -0.10 0.20 -0.69 0.00 0.00 0.00 174.94 174.23 2a3j s VAL 64 N 1.57 5.39 -0.12 2.92 1.01 0.12 -4.99 120.40 126.30 2a3j s VAL 64 Ca 0.03 -0.35 -0.10 0.00 0.00 0.00 0.00 61.98 61.57 2a3j s VAL 64 Cb -0.18 -3.61 0.03 0.00 0.00 0.00 0.00 36.38 32.63 2a3j s VAL 64 CO 0.06 0.18 0.30 -0.69 0.00 0.00 0.00 175.10 174.95 2a3j s VAL 65 N -1.47 -0.01 0.00 2.92 1.01 -1.26 -0.19 120.40 121.40 2a3j s VAL 65 Ca 0.33 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.34 2a3j s VAL 65 Cb -0.13 -0.44 0.00 0.00 0.00 0.00 0.00 36.38 35.81 2a3j s VAL 65 CO 0.26 0.01 0.00 -0.90 0.00 0.00 0.00 175.10 174.47 2a3j n ASP 66 N 3.23 -0.71 -1.58 3.32 5.75 -0.99 -4.86 116.55 120.71 2a3j n ASP 66 Ca -0.16 -0.04 -0.02 0.00 -0.01 0.00 0.00 54.79 54.56 2a3j n ASP 66 Cb 0.57 0.00 0.23 0.00 -1.03 0.00 0.00 41.12 40.89 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 4.67 -3.69 -2.12 -0.00 -1.26 -4.91 117.00 109.68 2a3j n LEU 67 Ca 0.00 -2.41 -0.32 0.00 -0.00 0.00 0.00 56.01 53.28 2a3j n LEU 67 Cb 0.00 -0.66 0.04 0.00 -0.00 0.00 0.00 43.42 42.80 2a3j n LEU 67 CO 0.00 0.63 -0.07 -0.24 -0.00 0.00 0.00 177.39 177.70 2a3j n SER 68 N 0.08 -5.33 -4.79 1.45 2.88 -1.26 -4.92 113.62 101.74 2a3j n SER 68 Ca 0.26 -1.03 -0.36 0.00 -1.33 0.00 0.00 58.87 56.42 2a3j n SER 68 Cb 1.03 -3.33 -0.04 0.00 -0.75 0.00 0.00 64.21 61.12 2a3j n SER 68 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 2a3j s ASP 69 N -3.46 6.78 0.00 -3.46 1.11 -1.26 -4.81 116.67 111.57 2a3j s ASP 69 Ca 0.48 1.97 0.23 0.00 0.18 0.00 0.00 52.55 55.41 2a3j s ASP 69 Cb -0.17 -2.58 1.13 0.00 1.07 0.00 0.00 42.92 42.37 2a3j s ASP 69 CO 0.86 -0.47 1.75 0.47 1.18 0.00 0.00 175.17 178.96 2a3j n ASP 70 N -0.17 0.00 0.00 0.27 8.00 -1.26 -1.61 116.55 121.77 2a3j n ASP 70 Ca 0.05 0.03 0.00 0.00 0.71 0.00 0.00 54.79 55.58 2a3j n ASP 70 Cb 0.50 -0.31 0.00 0.00 -0.02 0.00 0.00 41.12 41.29 2a3j n ASP 70 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2a3j n ASN 71 N -1.31 0.08 0.00 -2.24 2.85 -1.26 -4.90 115.26 108.48 2a3j n ASN 71 Ca 0.10 -0.54 0.00 0.00 -0.11 0.00 0.00 54.58 54.03 2a3j n ASN 71 Cb 0.19 0.91 0.00 0.00 1.24 0.00 0.00 39.78 42.12 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 -0.91 0.00 -2.93 1.20 7.64 -1.12 -5.10 113.62 112.40 2a3j n SER 72 Ca 0.00 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 59.86 2a3j n SER 72 Cb 0.00 -0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.14 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 3.33 -2.40 3.75 0.23 0.00 -0.63 -4.59 105.19 104.87 2a3j n GLY 73 Ca 0.00 0.37 -0.10 0.00 0.00 0.00 0.00 46.02 46.29 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 -1.49 2.16 0.17 1.61 -2.85 -1.26 -3.11 119.74 114.96 2a3j s LYS 74 Ca 0.03 -1.48 -0.22 0.00 -1.00 0.00 0.00 55.97 53.30 2a3j s LYS 74 Cb -0.01 0.59 0.08 0.00 -2.06 0.00 0.00 37.83 36.43 2a3j s LYS 74 CO 0.50 -0.99 1.06 0.00 0.10 0.00 0.00 175.35 176.02 2a3j n ALA 75 N -0.53 -2.77 -3.72 0.59 0.00 -0.55 -2.36 120.51 111.16 2a3j n ALA 75 Ca -0.06 -1.01 -0.14 0.00 0.00 0.00 0.00 53.44 52.22 2a3j n ALA 75 Cb 0.60 0.54 -0.14 0.00 0.00 0.00 0.00 19.45 20.45 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 -2.08 -0.24 -0.32 0.00 1.51 0.73 -0.76 117.35 116.18 2a3j s TYR 76 Ca 0.24 0.64 -0.07 0.00 -1.01 0.00 0.00 57.07 56.86 2a3j s TYR 76 Cb -0.03 -0.07 0.02 0.00 -0.11 0.00 0.00 41.96 41.77 2a3j s TYR 76 CO 0.05 -0.22 0.11 0.42 -1.11 0.00 0.00 175.55 174.80 2a3j s ILE 77 N 1.52 3.99 -0.15 2.71 1.01 0.06 0.13 121.20 130.48 2a3j s ILE 77 Ca -0.06 -0.88 -0.23 0.00 0.00 0.00 0.00 60.65 59.48 2a3j s ILE 77 Cb -0.11 -3.16 -0.03 0.00 0.01 0.00 0.00 42.46 39.17 2a3j s ILE 77 CO -0.07 -0.07 0.70 -0.69 0.00 0.00 0.00 174.94 174.81 2a3j s VAL 78 N 1.47 5.00 0.53 2.92 1.01 -0.41 -1.58 120.40 129.35 2a3j s VAL 78 Ca 0.01 1.38 0.07 0.00 0.00 0.00 0.00 61.98 63.43 2a3j s VAL 78 Cb -0.18 -4.02 0.04 0.00 0.00 0.00 0.00 36.38 32.22 2a3j s VAL 78 CO 0.03 0.14 0.48 -0.36 0.00 0.00 0.00 175.10 175.39 2a3j s PHE 79 N 1.58 1.71 0.38 5.22 0.08 -0.55 -1.36 117.98 125.02 2a3j s PHE 79 Ca 0.34 -0.78 0.08 0.00 0.12 0.00 0.00 56.93 56.69 2a3j s PHE 79 Cb -0.17 -2.00 0.74 0.00 -0.57 0.00 0.00 43.02 41.03 2a3j s PHE 79 CO 0.13 -0.57 1.92 0.00 -0.10 0.00 0.00 175.22 176.61 2a3j h ALA 80 N 0.67 1.49 -1.75 5.36 0.00 -1.54 -3.41 119.26 120.08 2a3j h ALA 80 Ca -0.36 -0.18 0.24 0.00 0.00 0.00 0.00 54.91 54.61 2a3j h ALA 80 Cb 1.30 -0.11 -0.14 0.00 0.00 0.00 0.00 17.79 18.83 2a3j h ALA 80 CO 0.54 0.36 0.71 0.95 0.00 0.00 0.00 179.25 181.81 2a3j s THR 81 N -4.89 0.00 0.51 0.00 -4.23 -1.26 -4.99 115.64 100.78 2a3j s THR 81 Ca -0.06 -0.17 0.28 0.00 -1.18 0.00 0.00 61.69 60.55 2a3j s THR 81 Cb 0.16 -1.45 0.45 0.00 1.34 0.00 0.00 72.50 72.99 2a3j s THR 81 CO 0.74 0.00 1.90 -0.61 -0.54 0.00 0.00 174.62 176.11 2a3j h GLN 82 N 2.00 0.08 -0.06 3.99 -0.00 -1.77 -0.85 115.11 118.50 2a3j h GLN 82 Ca -0.20 -0.00 0.03 0.00 -0.00 0.00 0.00 58.65 58.47 2a3j h GLN 82 Cb 1.20 -0.02 -0.04 0.00 0.00 0.00 0.00 27.48 28.63 2a3j h GLN 82 CO 0.26 0.05 -0.14 0.93 0.00 0.00 0.00 178.83 179.94 2a3j h GLU 83 N 0.08 -0.19 -0.10 1.69 4.39 -1.92 0.14 114.58 118.68 2a3j h GLU 83 Ca 0.40 0.01 -0.12 0.00 0.34 0.00 0.00 59.36 60.00 2a3j h GLU 83 Cb 1.48 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 30.18 2a3j h GLU 83 CO -0.04 -0.13 -0.39 0.77 -1.16 0.00 0.00 179.01 178.06 2a3j h SER 84 N -0.20 0.51 0.01 1.42 0.02 -1.61 -3.05 113.55 110.65 2a3j h SER 84 Ca 0.07 -0.63 0.03 0.00 -0.84 0.00 0.00 61.79 60.42 2a3j h SER 84 Cb 0.29 -0.15 -0.05 0.00 0.14 0.00 0.00 62.40 62.63 2a3j h SER 84 CO -0.18 1.06 -0.32 0.00 -1.14 0.00 0.00 176.83 176.26 2a3j h ALA 85 N 0.47 -0.46 -0.81 3.77 0.00 -1.09 -1.13 119.26 120.00 2a3j h ALA 85 Ca -0.02 -0.02 0.13 0.00 0.00 0.00 0.00 54.91 55.00 2a3j h ALA 85 Cb 1.03 0.55 -0.09 0.00 0.00 0.00 0.00 17.79 19.29 2a3j h ALA 85 CO 0.08 -0.83 0.41 0.37 0.00 0.00 0.00 179.25 179.28 2a3j h GLN 86 N -0.47 0.59 -0.17 0.00 4.15 -0.80 0.18 115.11 118.59 2a3j h GLN 86 Ca 0.06 -0.04 0.02 0.00 0.77 0.00 0.00 58.65 59.46 2a3j h GLN 86 Cb 0.55 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 28.09 2a3j h GLN 86 CO -0.26 0.39 0.06 0.00 -1.93 0.00 0.00 178.83 177.10 2a3j h ALA 87 N 1.53 0.19 -0.38 3.38 0.00 -1.24 -0.87 119.26 121.87 2a3j h ALA 87 Ca 0.43 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.27 2a3j h ALA 87 Cb 0.58 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 2a3j h ALA 87 CO -0.34 -0.37 -0.13 0.35 0.00 0.00 0.00 179.25 178.76 2a3j h PHE 88 N 0.15 0.74 -0.40 0.00 3.04 -0.26 0.26 116.94 120.47 2a3j h PHE 88 Ca 0.07 -0.13 -0.01 0.00 3.98 0.00 0.00 57.97 61.87 2a3j h PHE 88 Cb 0.04 -0.19 -0.02 0.00 2.56 0.00 0.00 35.95 38.34 2a3j h PHE 88 CO -0.11 0.77 0.19 0.28 -2.02 0.00 0.00 178.31 177.43 2a3j h VAL 89 N 0.62 1.17 0.00 1.41 2.07 -0.24 -1.35 116.25 119.93 2a3j h VAL 89 Ca 0.11 -0.48 -0.04 0.00 0.82 0.00 0.00 66.70 67.10 2a3j h VAL 89 Cb 0.58 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 2a3j h VAL 89 CO 0.04 0.18 -0.32 -0.33 0.02 0.00 0.00 177.57 177.16 2a3j h GLU 90 N 0.50 0.00 0.00 1.57 4.39 -1.04 0.25 114.58 120.26 2a3j h GLU 90 Ca 0.14 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.79 2a3j h GLU 90 Cb 0.11 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 2a3j h GLU 90 CO -0.02 0.18 -0.24 0.00 -1.16 0.00 0.00 179.01 177.77 2a3j h ALA 91 N 1.81 0.91 0.00 3.43 0.00 -0.16 -3.26 119.26 121.99 2a3j h ALA 91 Ca -0.01 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2a3j h ALA 91 Cb 1.15 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2a3j h ALA 91 CO 0.02 0.30 0.00 1.19 0.00 0.00 0.00 179.25 180.76 2a3j n PHE 92 N -3.26 0.00 -0.32 0.00 3.01 -0.54 -4.76 117.46 111.59 2a3j n PHE 92 Ca 0.01 -0.21 0.28 0.00 1.01 0.00 0.00 57.45 58.54 2a3j n PHE 92 Cb 0.53 -0.02 0.60 0.00 -0.01 0.00 0.00 39.48 40.57 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 0.23 -2.11 -1.08 5.75 -0.54 -2.64 115.11 114.73 2a3j h GLN 93 Ca 0.00 -0.01 -0.53 0.00 -0.15 0.00 0.00 58.65 57.96 2a3j h GLN 93 Cb 0.43 -0.05 -0.41 0.00 1.07 0.00 0.00 27.48 28.52 2a3j h GLN 93 CO 0.00 0.16 -0.97 0.41 -2.65 0.00 0.00 178.83 175.78 2a3j n GLY 94 N -1.57 4.33 3.05 2.39 0.00 -1.26 -4.76 105.19 107.36 2a3j n GLY 94 Ca 0.26 -2.12 -0.22 0.00 0.00 0.00 0.00 46.02 43.94 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 -2.72 1.16 -0.49 1.61 6.14 -1.00 -5.10 117.35 116.96 2a3j s TYR 95 Ca 0.43 -0.29 -0.27 0.00 0.64 0.00 0.00 57.07 57.58 2a3j s TYR 95 Cb 0.30 -0.80 -0.02 0.00 0.42 0.00 0.00 41.96 41.87 2a3j s TYR 95 CO -0.10 -0.09 1.79 -1.25 0.64 0.00 0.00 175.55 176.54 2a3j s PRO 96 N 0.04 2.97 0.05 4.97 0.04 -1.26 -4.35 135.00 137.47 2a3j s PRO 96 Ca -0.01 0.93 0.03 0.00 0.04 0.00 0.00 61.00 61.99 2a3j s PRO 96 Cb -0.08 -4.28 -0.03 0.00 0.04 0.00 0.00 34.50 30.15 2a3j s PRO 96 CO 0.01 -2.30 -0.10 0.12 0.04 0.00 0.00 177.00 174.76 2a3j s PHE 97 N 7.93 0.88 -1.62 0.56 5.36 -1.23 -4.75 117.98 125.11 2a3j s PHE 97 Ca 0.71 -0.48 0.00 0.00 -0.96 0.00 0.00 56.93 56.20 2a3j s PHE 97 Cb -0.16 -0.51 0.00 0.00 -0.34 0.00 0.00 43.02 42.01 2a3j s PHE 97 CO 0.26 -0.03 0.00 1.04 -1.46 0.00 0.00 175.22 175.04 2a3j n GLN 98 N 1.41 -1.68 0.00 10.12 1.13 -1.26 -2.60 117.38 124.50 2a3j n GLN 98 Ca -0.22 0.91 0.00 0.00 -1.94 0.00 0.00 57.00 55.75 2a3j n GLN 98 Cb 0.54 -5.40 0.00 0.00 0.11 0.00 0.00 30.24 25.49 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 -0.65 3.08 0.00 1.08 0.00 -1.26 -4.56 105.19 102.89 2a3j n GLY 99 Ca -0.19 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.13 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 -4.58 1.61 5.03 -1.07 -5.01 115.26 111.23 2a3j n ASN 100 Ca 0.00 0.00 -0.41 0.00 0.87 0.00 0.00 54.58 55.04 2a3j n ASN 100 Cb 0.00 0.00 -0.03 0.00 -1.02 0.00 0.00 39.78 38.73 2a3j n ASN 100 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 2a3j s PRO 101 N 0.00 3.13 -0.10 3.52 0.04 -1.26 -3.54 135.00 136.79 2a3j s PRO 101 Ca 0.00 1.06 0.01 0.00 0.04 0.00 0.00 61.00 62.11 2a3j s PRO 101 Cb 0.00 -4.23 0.02 0.00 0.04 0.00 0.00 34.50 30.33 2a3j s PRO 101 CO 0.00 -2.11 -0.10 -1.17 0.04 0.00 0.00 177.00 173.66 2a3j s LEU 102 N 7.39 1.40 -0.05 -3.56 2.96 -1.26 -4.71 118.68 120.84 2a3j s LEU 102 Ca 0.72 -0.32 0.06 0.00 -0.22 0.00 0.00 54.13 54.37 2a3j s LEU 102 Cb -0.18 -0.87 -0.01 0.00 0.50 0.00 0.00 46.19 45.63 2a3j s LEU 102 CO 0.29 -0.06 -0.24 0.54 -1.32 0.00 0.00 176.35 175.56 2a3j s VAL 103 N 1.31 2.00 -0.05 1.68 0.11 -1.26 -4.72 120.40 119.48 2a3j s VAL 103 Ca -0.02 -1.04 -0.00 0.00 -2.93 0.00 0.00 61.98 57.98 2a3j s VAL 103 Cb -0.14 -1.69 0.03 0.00 -1.53 0.00 0.00 36.38 33.05 2a3j s VAL 103 CO -0.04 0.56 0.00 0.27 -3.33 0.00 0.00 175.10 172.56 2a3j s ILE 104 N -0.18 0.25 0.24 7.04 -0.00 -1.26 -3.75 121.20 123.55 2a3j s ILE 104 Ca -0.03 0.12 -0.05 0.00 -0.00 0.00 0.00 60.65 60.69 2a3j s ILE 104 Cb -0.13 -0.38 -0.02 0.00 -0.00 0.00 0.00 42.46 41.92 2a3j s ILE 104 CO 0.03 0.20 0.30 0.42 -0.00 0.00 0.00 174.94 175.90 2a3j s THR 105 N 1.50 0.00 0.93 8.37 -4.23 -1.16 -4.89 115.64 116.15 2a3j s THR 105 Ca -0.03 -1.74 -0.14 0.00 -1.18 0.00 0.00 61.69 58.60 2a3j s THR 105 Cb -0.13 -2.41 0.19 0.00 1.34 0.00 0.00 72.50 71.49 2a3j s THR 105 CO -0.03 0.00 1.28 -0.36 -0.54 0.00 0.00 174.62 174.97 2a3j s PHE 106 N -3.94 1.61 0.09 3.99 0.08 -1.26 -0.43 117.98 118.12 2a3j s PHE 106 Ca 0.32 0.24 0.02 0.00 0.12 0.00 0.00 56.93 57.63 2a3j s PHE 106 Cb 0.03 -3.96 -0.01 0.00 -0.57 0.00 0.00 43.02 38.51 2a3j s PHE 106 CO 0.13 -2.51 0.07 0.45 -0.10 0.00 0.00 175.22 173.26 2a3j n SER 107 N -3.63 -0.12 -4.51 1.36 2.88 -1.06 -4.03 113.62 104.52 2a3j n SER 107 Ca 0.15 -1.59 -0.33 0.00 -1.33 0.00 0.00 58.87 55.77 2a3j n SER 107 Cb 0.60 0.44 -0.12 0.00 -0.75 0.00 0.00 64.21 64.37 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 -2.37 2.84 -0.52 -1.46 2.02 -1.26 -4.77 118.70 113.18 2a3j s GLU 108 Ca 0.10 -0.61 0.07 0.00 0.02 0.00 0.00 54.97 54.55 2a3j s GLU 108 Cb 0.01 -2.56 0.25 0.00 0.10 0.00 0.00 34.13 31.93 2a3j s GLU 108 CO 0.07 0.55 0.65 0.25 0.02 0.00 0.00 175.26 176.81 2a3j n THR 109 N 2.54 0.95 -1.09 3.63 -2.24 -1.26 -5.06 114.28 111.75 2a3j n THR 109 Ca -0.18 -4.67 -0.30 0.00 -2.27 0.00 0.00 64.05 56.63 2a3j n THR 109 Cb 0.53 -1.98 0.23 0.00 -2.10 0.00 0.00 70.33 67.00 2a3j n THR 109 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2a3j s PRO 110 N -1.92 -1.00 -0.31 -0.78 0.04 -1.26 -4.91 135.00 124.86 2a3j s PRO 110 Ca 0.38 0.01 0.08 0.00 0.04 0.00 0.00 61.00 61.51 2a3j s PRO 110 Cb 0.17 -1.62 0.46 0.00 0.04 0.00 0.00 34.50 33.55 2a3j s PRO 110 CO -0.06 -3.58 1.17 0.00 0.04 0.00 0.00 177.00 174.57 2a3j n GLN 111 N -4.68 3.38 0.02 4.56 10.64 -1.26 -4.71 117.38 125.32 2a3j n GLN 111 Ca 0.12 -4.15 -0.02 0.00 -1.83 0.00 0.00 57.00 51.12 2a3j n GLN 111 Cb 0.59 -2.20 -0.10 0.00 -0.86 0.00 0.00 30.24 27.68 2a3j n GLN 111 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.06 174.10 2a3j n SER 112 N -0.65 0.83 0.25 2.61 3.41 -1.26 -3.94 113.62 114.86 2a3j n SER 112 Ca 0.39 0.37 0.10 0.00 -0.26 0.00 0.00 58.87 59.48 2a3j n SER 112 Cb 0.90 0.17 0.64 0.00 -0.26 0.00 0.00 64.21 65.66 2a3j n SER 112 CO 0.00 0.00 0.00 0.06 -0.16 0.00 0.00 175.04 174.94 2a3j h GLN 113 N 0.00 0.00 -0.70 4.33 3.07 -2.02 -1.98 115.11 117.81 2a3j h GLN 113 Ca -0.20 0.00 -0.24 0.00 0.09 0.00 0.00 58.65 58.31 2a3j h GLN 113 Cb 1.68 0.00 -0.14 0.00 0.08 0.00 0.00 27.48 29.10 2a3j h GLN 113 CO 0.05 0.16 0.27 1.33 0.09 0.00 0.00 178.83 180.73 2a3j n VAL 114 N -3.79 2.89 0.03 1.86 0.24 -1.25 -4.47 118.33 113.84 2a3j n VAL 114 Ca -0.02 -1.81 -0.19 0.00 -2.04 0.00 0.00 64.34 60.27 2a3j n VAL 114 Cb 0.26 -0.36 -0.11 0.00 -1.47 0.00 0.00 33.84 32.16 2a3j n VAL 114 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2a3j h ALA 115 N 2.21 0.10 -0.67 2.33 0.00 -1.50 -3.23 119.26 118.50 2a3j h ALA 115 Ca 0.29 -0.66 0.09 0.00 0.00 0.00 0.00 54.91 54.64 2a3j h ALA 115 Cb 2.28 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 20.08 2a3j h ALA 115 CO 0.72 0.56 0.44 1.05 0.00 0.00 0.00 179.25 182.02 2a3j h GLU 116 N 0.20 0.51 0.00 0.00 4.11 -1.79 -3.52 114.58 114.09 2a3j h GLU 116 Ca -0.11 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.29 2a3j h GLU 116 Cb 1.57 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.71 2a3j h GLU 116 CO 0.18 0.34 0.00 -3.47 0.07 0.00 0.00 179.01 176.13