#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 1.02 -2.82 0.04 -1.26 -5.00 135.00 130.55 2a3j s PRO 23 Ca 0.00 1.46 -0.13 0.00 0.04 0.00 0.00 61.00 62.37 2a3j s PRO 23 Cb 0.00 -4.10 0.20 0.00 0.04 0.00 0.00 34.50 30.64 2a3j s PRO 23 CO 0.00 -1.57 1.09 -1.25 0.04 0.00 0.00 177.00 175.31 2a3j s PRO 24 N 5.13 0.26 -0.59 0.56 0.04 -1.26 -5.00 135.00 134.15 2a3j s PRO 24 Ca 0.74 0.47 -0.16 0.00 0.04 0.00 0.00 61.00 62.08 2a3j s PRO 24 Cb -0.22 -1.72 0.14 0.00 0.04 0.00 0.00 34.50 32.74 2a3j s PRO 24 CO 0.32 -2.83 0.55 -1.58 0.04 0.00 0.00 177.00 173.50 2a3j s HIS 25 N -2.97 3.33 -0.39 0.56 2.46 -1.26 -4.90 115.29 112.12 2a3j s HIS 25 Ca 0.66 -1.40 0.10 0.00 0.47 0.00 0.00 55.06 54.89 2a3j s HIS 25 Cb -0.18 -3.81 0.44 0.00 -0.13 0.00 0.00 32.58 28.89 2a3j s HIS 25 CO 0.58 -1.03 1.06 0.25 -2.47 0.00 0.00 174.74 173.13 2a3j n THR 26 N 5.05 1.86 -1.32 0.89 -2.24 -1.26 -5.09 114.28 112.16 2a3j n THR 26 Ca -0.09 -4.19 0.06 0.00 -2.27 0.00 0.00 64.05 57.56 2a3j n THR 26 Cb 0.41 -0.51 -0.03 0.00 -2.10 0.00 0.00 70.33 68.10 2a3j n THR 26 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2a3j n GLU 27 N -0.34 -3.33 -1.18 -0.78 1.02 -1.26 -4.93 120.64 109.83 2a3j n GLU 27 Ca 0.28 2.63 -0.29 0.00 -0.02 0.00 0.00 57.16 59.76 2a3j n GLU 27 Cb 0.73 -3.45 0.16 0.00 -0.02 0.00 0.00 31.44 28.87 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 -4.84 0.83 -0.10 3.49 0.04 -1.26 -5.07 135.00 128.09 2a3j s PRO 28 Ca 0.00 0.67 -0.04 0.00 0.04 0.00 0.00 61.00 61.67 2a3j s PRO 28 Cb 0.00 -1.77 0.05 0.00 0.04 0.00 0.00 34.50 32.82 2a3j s PRO 28 CO 0.00 -2.50 0.20 -1.54 0.04 0.00 0.00 177.00 173.20 2a3j s SER 29 N -3.44 0.57 -0.27 6.66 1.04 -1.26 -4.74 113.70 112.26 2a3j s SER 29 Ca 0.64 0.43 0.12 0.00 0.48 0.00 0.00 55.95 57.63 2a3j s SER 29 Cb -0.18 0.43 0.71 0.00 0.10 0.00 0.00 66.02 67.08 2a3j s SER 29 CO 0.57 -0.24 1.69 0.00 0.98 0.00 0.00 173.24 176.24 2a3j n GLN 30 N 5.29 3.75 -3.83 4.02 6.02 -1.26 -2.09 117.38 129.27 2a3j n GLN 30 Ca -0.06 -3.07 -0.12 0.00 -0.01 0.00 0.00 57.00 53.74 2a3j n GLN 30 Cb 0.50 -2.13 -0.12 0.00 1.02 0.00 0.00 30.24 29.51 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 -2.92 0.01 -0.02 5.09 -7.23 -1.26 -1.56 120.40 112.50 2a3j s VAL 31 Ca 0.52 -0.10 0.07 0.00 -1.81 0.00 0.00 61.98 60.66 2a3j s VAL 31 Cb 0.41 -0.22 -0.02 0.00 0.56 0.00 0.00 36.38 37.11 2a3j s VAL 31 CO 0.12 -0.05 -0.24 0.68 -0.31 0.00 0.00 175.10 175.30 2a3j s VAL 32 N -0.12 1.89 -0.24 1.32 -7.23 -0.81 -2.35 120.40 112.86 2a3j s VAL 32 Ca -0.02 -1.01 -0.07 0.00 -1.81 0.00 0.00 61.98 59.07 2a3j s VAL 32 Cb -0.02 -1.57 -0.03 0.00 0.56 0.00 0.00 36.38 35.33 2a3j s VAL 32 CO 0.00 0.53 0.05 -0.22 -0.31 0.00 0.00 175.10 175.15 2a3j s LEU 33 N -0.49 3.35 0.05 1.32 2.96 0.32 -0.86 118.68 125.32 2a3j s LEU 33 Ca 0.07 -0.22 0.03 0.00 -0.22 0.00 0.00 54.13 53.79 2a3j s LEU 33 Cb -0.10 -1.89 -0.04 0.00 0.50 0.00 0.00 46.19 44.67 2a3j s LEU 33 CO -0.00 -0.01 -0.00 0.27 -1.32 0.00 0.00 176.35 175.28 2a3j s ILE 34 N 1.49 4.07 0.15 6.68 -0.00 0.09 -3.08 121.20 130.59 2a3j s ILE 34 Ca 0.06 -0.81 0.01 0.00 -0.00 0.00 0.00 60.65 59.91 2a3j s ILE 34 Cb -0.15 -2.88 -0.01 0.00 -0.00 0.00 0.00 42.46 39.43 2a3j s ILE 34 CO 0.02 0.24 0.17 0.35 -0.00 0.00 0.00 174.94 175.72 2a3j n THR 35 N 0.97 0.00 -2.17 8.37 -2.24 -1.24 -1.45 114.28 116.52 2a3j n THR 35 Ca -0.12 -0.94 -0.15 0.00 -2.27 0.00 0.00 64.05 60.56 2a3j n THR 35 Cb 0.52 0.51 -0.02 0.00 -2.10 0.00 0.00 70.33 69.25 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 -2.19 -4.66 -4.85 3.42 5.15 -1.23 -3.99 115.26 106.91 2a3j n ASN 36 Ca 0.02 0.04 -0.37 0.00 -0.60 0.00 0.00 54.58 53.67 2a3j n ASN 36 Cb 0.26 -3.75 -0.06 0.00 -0.53 0.00 0.00 39.78 35.70 2a3j n ASN 36 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 2a3j s ILE 37 N -2.74 5.45 -0.14 -1.44 -4.36 -1.17 -4.77 121.20 112.03 2a3j s ILE 37 Ca 0.00 0.27 -0.29 0.00 -0.26 0.00 0.00 60.65 60.36 2a3j s ILE 37 Cb 0.00 -3.44 -0.01 0.00 1.25 0.00 0.00 42.46 40.26 2a3j s ILE 37 CO 0.00 0.59 1.09 0.20 0.24 0.00 0.00 174.94 177.06 2a3j s ASN 38 N -0.83 7.13 0.00 4.36 -0.87 -1.26 -4.54 114.94 118.92 2a3j s ASN 38 Ca 0.15 1.57 0.15 0.00 -1.57 0.00 0.00 52.86 53.15 2a3j s ASN 38 Cb -0.12 -2.55 0.71 0.00 -0.02 0.00 0.00 41.25 39.26 2a3j s ASN 38 CO 0.04 -0.58 1.42 -0.81 -2.57 0.00 0.00 177.10 174.60 2a3j n PRO 39 N 5.62 0.15 -0.11 -0.60 -0.04 -1.26 -3.30 135.00 135.46 2a3j n PRO 39 Ca 0.11 0.18 0.26 0.00 -0.04 0.00 0.00 63.50 64.01 2a3j n PRO 39 Cb 0.47 -1.50 0.72 0.00 -0.04 0.00 0.00 33.50 33.15 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 -1.90 -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 0.17 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 -0.26 0.54 -1.00 0.00 0.00 179.01 178.29 2a3j s VAL 41 N -4.87 5.21 0.33 3.13 0.11 -1.21 -5.06 120.40 118.03 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 0.20 -3.68 -0.10 0.00 -1.53 0.00 0.00 36.38 31.27 2a3j s VAL 41 CO 0.71 0.45 1.22 -2.16 -3.33 0.00 0.00 175.10 171.98 2a3j s PRO 42 N -0.07 4.38 0.46 1.54 0.04 -1.26 -4.73 135.00 135.37 2a3j s PRO 42 Ca 0.21 2.03 0.27 0.00 0.04 0.00 0.00 61.00 63.55 2a3j s PRO 42 Cb -0.14 -3.03 1.33 0.00 0.04 0.00 0.00 34.50 32.69 2a3j s PRO 42 CO 0.08 -0.10 1.77 -0.22 0.04 0.00 0.00 177.00 178.57 2a3j h LYS 43 N 3.37 0.19 -0.16 4.56 3.64 -1.93 0.35 116.57 126.58 2a3j h LYS 43 Ca -0.48 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 58.94 2a3j h LYS 43 Cb 1.22 -0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 32.93 2a3j h LYS 43 CO 0.65 0.13 -0.36 1.49 -2.27 0.00 0.00 179.45 179.09 2a3j h GLU 44 N 0.20 -0.40 0.15 1.90 4.22 -1.99 0.42 114.58 119.08 2a3j h GLU 44 Ca 0.61 0.03 -0.28 0.00 0.08 0.00 0.00 59.36 59.79 2a3j h GLU 44 Cb 1.96 0.09 0.01 0.00 0.50 0.00 0.00 28.75 31.31 2a3j h GLU 44 CO -0.19 -0.26 -1.39 0.87 -2.18 0.00 0.00 179.01 175.86 2a3j h LYS 45 N -0.41 0.33 -0.39 1.92 1.57 -1.50 -3.14 116.57 114.95 2a3j h LYS 45 Ca 0.10 -0.56 0.08 0.00 -1.87 0.00 0.00 60.65 58.39 2a3j h LYS 45 Cb 0.57 0.21 -0.07 0.00 0.08 0.00 0.00 32.23 33.02 2a3j h LYS 45 CO -0.39 1.27 -0.07 1.25 -0.57 0.00 0.00 179.45 180.93 2a3j h LEU 46 N -0.17 -0.31 -0.09 2.94 5.85 -0.30 0.96 115.31 124.20 2a3j h LEU 46 Ca -0.28 0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.55 2a3j h LEU 46 Cb 1.87 0.22 -0.00 0.00 0.37 0.00 0.00 40.66 43.12 2a3j h LEU 46 CO 0.13 -0.11 0.04 -0.61 -0.34 0.00 0.00 178.44 177.55 2a3j h GLN 47 N 0.02 0.14 -0.56 1.25 4.15 -0.32 -1.73 115.11 118.07 2a3j h GLN 47 Ca 0.19 -0.02 0.10 0.00 0.77 0.00 0.00 58.65 59.68 2a3j h GLN 47 Cb 0.28 -0.02 -0.03 0.00 0.21 0.00 0.00 27.48 27.92 2a3j h GLN 47 CO -0.38 0.25 0.38 0.00 -1.93 0.00 0.00 178.83 177.15 2a3j h ALA 48 N 0.88 2.08 -0.01 3.38 0.00 -1.36 -2.15 119.26 122.08 2a3j h ALA 48 Ca 0.03 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2a3j h ALA 48 Cb 0.16 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2a3j h ALA 48 CO -0.00 -0.21 -0.04 -0.07 0.00 0.00 0.00 179.25 178.93 2a3j h LEU 49 N 0.33 0.06 -2.04 0.00 -0.00 -0.45 -2.93 115.31 110.28 2a3j h LEU 49 Ca 0.26 -0.59 0.12 0.00 -0.00 0.00 0.00 57.88 57.67 2a3j h LEU 49 Cb 0.58 -0.02 -0.02 0.00 -0.00 0.00 0.00 40.66 41.20 2a3j h LEU 49 CO -0.06 0.64 0.35 -0.07 -0.00 0.00 0.00 178.44 179.30 2a3j h LEU 50 N -0.52 0.00 -0.07 1.67 3.38 -0.71 -1.05 115.31 118.01 2a3j h LEU 50 Ca -0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 2a3j h LEU 50 Cb 0.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.39 2a3j h LEU 50 CO 0.01 0.00 -0.33 0.22 0.09 0.00 0.00 178.44 178.43 2a3j h TYR 51 N 0.00 0.47 -0.18 1.13 5.03 -1.35 -2.22 116.97 119.84 2a3j h TYR 51 Ca 0.20 -0.21 0.05 0.00 2.58 0.00 0.00 58.73 61.36 2a3j h TYR 51 Cb 0.91 -0.07 -0.07 0.00 1.55 0.00 0.00 36.73 39.05 2a3j h TYR 51 CO 0.00 0.95 -0.30 0.00 -1.32 0.00 0.00 178.16 177.49 2a3j h ALA 52 N 0.43 -0.30 -0.56 1.82 0.00 -1.01 0.21 119.26 119.85 2a3j h ALA 52 Ca -0.02 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 2a3j h ALA 52 Cb 0.98 0.59 -0.02 0.00 0.00 0.00 0.00 17.79 19.34 2a3j h ALA 52 CO 0.07 -0.76 0.21 -0.07 0.00 0.00 0.00 179.25 178.70 2a3j h LEU 53 N -0.35 0.78 0.14 0.00 3.38 -1.60 -2.32 115.31 115.34 2a3j h LEU 53 Ca 0.11 -0.18 0.01 0.00 0.09 0.00 0.00 57.88 57.92 2a3j h LEU 53 Cb 0.52 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 2a3j h LEU 53 CO -0.38 0.74 -0.23 0.00 0.09 0.00 0.00 178.44 178.67 2a3j h ALA 54 N 1.06 -0.40 -0.40 1.53 0.00 -0.72 -1.82 119.26 118.51 2a3j h ALA 54 Ca 0.18 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.11 2a3j h ALA 54 Cb 0.22 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 2a3j h ALA 54 CO -0.01 -0.77 0.27 1.03 0.00 0.00 0.00 179.25 179.77 2a3j h SER 55 N -0.44 0.23 -0.07 0.00 0.87 -0.54 0.39 113.55 113.99 2a3j h SER 55 Ca 0.02 0.00 0.02 0.00 -1.23 0.00 0.00 61.79 60.60 2a3j h SER 55 Cb 0.45 -0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 62.35 2a3j h SER 55 CO -0.11 0.15 0.13 -1.28 -0.53 0.00 0.00 176.83 175.19 2a3j h SER 56 N 0.26 0.00 0.00 6.23 0.87 -0.75 -3.35 113.55 116.82 2a3j h SER 56 Ca 0.18 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.74 2a3j h SER 56 Cb 0.37 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.33 2a3j h SER 56 CO -0.04 0.00 0.00 0.00 -0.53 0.00 0.00 176.83 176.26 2a3j n GLN 57 N -3.48 0.00 -4.68 2.24 1.13 -0.02 -5.11 117.38 107.46 2a3j n GLN 57 Ca -0.01 0.00 -0.30 0.00 -1.94 0.00 0.00 57.00 54.75 2a3j n GLN 57 Cb 0.22 -0.12 -0.09 0.00 0.11 0.00 0.00 30.24 30.36 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 -2.33 2.76 0.35 1.08 0.00 -0.34 -5.00 107.32 103.85 2a3j s GLY 58 Ca 0.00 -1.27 -0.25 0.00 0.00 0.00 0.00 44.72 43.19 2a3j s GLY 58 CO 0.00 -2.13 0.99 0.99 0.00 0.00 0.00 173.10 172.95 2a3j s ASP 59 N -3.78 7.13 -0.14 1.64 1.01 -1.26 -3.40 116.67 117.87 2a3j s ASP 59 Ca 0.20 1.92 -0.04 0.00 0.71 0.00 0.00 52.55 55.34 2a3j s ASP 59 Cb 0.05 -2.58 -0.03 0.00 1.01 0.00 0.00 42.92 41.37 2a3j s ASP 59 CO 0.10 -0.22 -0.00 -0.63 0.21 0.00 0.00 175.17 174.63 2a3j s ILE 60 N -1.63 4.25 -0.12 0.77 1.09 -1.26 -1.71 121.20 122.59 2a3j s ILE 60 Ca 0.53 -0.24 0.20 0.00 -1.10 0.00 0.00 60.65 60.03 2a3j s ILE 60 Cb -0.20 -2.85 -0.28 0.00 -1.06 0.00 0.00 42.46 38.07 2a3j s ILE 60 CO 0.26 0.53 0.29 0.18 -0.10 0.00 0.00 174.94 176.10 2a3j n LEU 61 N 3.02 0.06 0.00 2.97 4.77 -0.21 -4.92 117.00 122.69 2a3j n LEU 61 Ca -0.18 0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 2a3j n LEU 61 Cb 0.53 0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.88 2a3j n LEU 61 CO 0.32 0.26 0.00 -0.67 -1.33 0.00 0.00 177.39 175.97 2a3j n ASP 62 N -2.55 0.00 -4.40 -1.43 2.03 -1.21 -5.04 116.55 103.94 2a3j n ASP 62 Ca -0.19 0.00 -0.40 0.00 0.52 0.00 0.00 54.79 54.72 2a3j n ASP 62 Cb 0.89 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 41.17 2a3j n ASP 62 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2a3j s ILE 63 N 0.00 4.59 0.04 5.18 1.01 -1.26 -1.24 121.20 129.52 2a3j s ILE 63 Ca 0.00 -0.67 -0.02 0.00 0.00 0.00 0.00 60.65 59.96 2a3j s ILE 63 Cb 0.00 -3.46 -0.04 0.00 0.01 0.00 0.00 42.46 38.96 2a3j s ILE 63 CO 0.00 -0.10 0.23 -0.69 0.00 0.00 0.00 174.94 174.38 2a3j s VAL 64 N 1.58 5.36 -0.11 2.92 1.01 0.12 -4.99 120.40 126.30 2a3j s VAL 64 Ca 0.03 -0.20 -0.07 0.00 0.00 0.00 0.00 61.98 61.74 2a3j s VAL 64 Cb -0.18 -3.60 0.04 0.00 0.00 0.00 0.00 36.38 32.64 2a3j s VAL 64 CO 0.06 0.21 0.27 -0.69 0.00 0.00 0.00 175.10 174.95 2a3j s VAL 65 N -1.45 -0.02 0.00 2.92 1.01 -1.26 -0.18 120.40 121.42 2a3j s VAL 65 Ca 0.33 0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.39 2a3j s VAL 65 Cb -0.13 -0.40 0.00 0.00 0.00 0.00 0.00 36.38 35.85 2a3j s VAL 65 CO 0.23 0.03 0.00 -0.90 0.00 0.00 0.00 175.10 174.47 2a3j n ASP 66 N 3.70 -0.70 -1.54 3.32 5.75 -1.09 -4.86 116.55 121.13 2a3j n ASP 66 Ca -0.20 -0.04 -0.01 0.00 -0.01 0.00 0.00 54.79 54.53 2a3j n ASP 66 Cb 0.55 0.00 0.23 0.00 -1.03 0.00 0.00 41.12 40.87 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 4.54 -3.64 -2.12 -0.00 -1.26 -4.92 117.00 109.60 2a3j n LEU 67 Ca 0.00 -2.33 -0.28 0.00 -0.00 0.00 0.00 56.01 53.39 2a3j n LEU 67 Cb 0.00 -0.65 0.03 0.00 -0.00 0.00 0.00 43.42 42.80 2a3j n LEU 67 CO 0.00 0.60 -0.05 -1.20 -0.00 0.00 0.00 177.39 176.74 2a3j n SER 68 N 0.14 -5.51 -4.78 1.45 7.64 -1.26 -4.92 113.62 106.38 2a3j n SER 68 Ca 0.24 -0.92 -0.37 0.00 1.01 0.00 0.00 58.87 58.83 2a3j n SER 68 Cb 1.00 -3.31 -0.04 0.00 -1.01 0.00 0.00 64.21 60.84 2a3j n SER 68 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2a3j s ASP 69 N -3.36 6.88 0.00 6.43 -1.08 -1.26 -4.71 116.67 119.58 2a3j s ASP 69 Ca 0.37 2.01 0.19 0.00 -0.52 0.00 0.00 52.55 54.60 2a3j s ASP 69 Cb -0.14 -2.59 0.86 0.00 -1.46 0.00 0.00 42.92 39.60 2a3j s ASP 69 CO 0.86 -0.40 1.59 0.47 0.52 0.00 0.00 175.17 178.20 2a3j n ASP 70 N 0.10 0.00 -0.00 -0.34 8.00 -1.26 -1.28 116.55 121.76 2a3j n ASP 70 Ca 0.04 0.29 0.01 0.00 0.71 0.00 0.00 54.79 55.84 2a3j n ASP 70 Cb 0.49 -0.40 -0.01 0.00 -0.02 0.00 0.00 41.12 41.18 2a3j n ASP 70 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 2a3j n ASN 71 N -1.40 0.12 0.00 -2.24 0.23 -1.26 -4.90 115.26 105.81 2a3j n ASN 71 Ca 0.06 -0.56 0.00 0.00 -0.53 0.00 0.00 54.58 53.55 2a3j n ASN 71 Cb 0.19 0.97 0.00 0.00 -2.08 0.00 0.00 39.78 38.85 2a3j n ASN 71 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 2a3j n SER 72 N -1.00 0.00 -2.97 0.53 7.64 -1.06 -5.10 113.62 111.66 2a3j n SER 72 Ca 0.00 0.00 -0.04 0.00 1.01 0.00 0.00 58.87 59.84 2a3j n SER 72 Cb 0.03 -0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 3.50 -2.07 3.36 0.23 0.00 -0.41 -4.61 105.19 105.20 2a3j n GLY 73 Ca 0.00 0.42 -0.11 0.00 0.00 0.00 0.00 46.02 46.33 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 0.76 0.86 -3.89 1.61 2.85 -1.26 -3.06 118.16 116.03 2a3j n LYS 74 Ca 0.00 -2.40 -0.02 0.00 -1.05 0.00 0.00 58.31 54.84 2a3j n LYS 74 Cb 0.29 2.59 0.02 0.00 -0.65 0.00 0.00 35.03 37.27 2a3j n LYS 74 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2a3j s ALA 75 N -2.39 -1.69 -0.09 0.58 0.00 -0.53 -2.65 121.76 114.99 2a3j s ALA 75 Ca 0.22 -0.29 -0.04 0.00 0.00 0.00 0.00 51.96 51.84 2a3j s ALA 75 Cb -0.03 0.78 0.05 0.00 0.00 0.00 0.00 23.12 23.92 2a3j s ALA 75 CO 0.16 -1.07 0.20 0.71 0.00 0.00 0.00 175.76 175.75 2a3j s TYR 76 N -2.16 -0.26 -0.34 0.00 1.51 0.75 -0.73 117.35 116.12 2a3j s TYR 76 Ca 0.23 0.68 -0.07 0.00 -1.01 0.00 0.00 57.07 56.89 2a3j s TYR 76 Cb -0.02 -0.05 0.03 0.00 -0.11 0.00 0.00 41.96 41.81 2a3j s TYR 76 CO 0.05 -0.23 0.12 0.42 -1.11 0.00 0.00 175.55 174.80 2a3j s ILE 77 N 1.52 3.96 -0.14 2.71 1.01 -0.04 0.12 121.20 130.34 2a3j s ILE 77 Ca -0.06 -1.04 -0.25 0.00 0.00 0.00 0.00 60.65 59.30 2a3j s ILE 77 Cb -0.11 -3.22 -0.02 0.00 0.01 0.00 0.00 42.46 39.12 2a3j s ILE 77 CO -0.07 -0.17 0.79 -0.69 0.00 0.00 0.00 174.94 174.80 2a3j s VAL 78 N 1.44 4.93 0.57 2.92 1.01 -0.37 -1.92 120.40 128.98 2a3j s VAL 78 Ca -0.01 1.56 0.05 0.00 0.00 0.00 0.00 61.98 63.59 2a3j s VAL 78 Cb -0.19 -4.10 0.05 0.00 0.00 0.00 0.00 36.38 32.14 2a3j s VAL 78 CO 0.04 0.10 0.44 -0.36 0.00 0.00 0.00 175.10 175.32 2a3j s PHE 79 N 1.73 1.44 0.18 5.22 0.08 -0.60 -1.05 117.98 124.98 2a3j s PHE 79 Ca 0.38 -0.89 -0.10 0.00 0.12 0.00 0.00 56.93 56.44 2a3j s PHE 79 Cb -0.17 -1.90 0.08 0.00 -0.57 0.00 0.00 43.02 40.46 2a3j s PHE 79 CO 0.14 -0.59 1.68 0.00 -0.10 0.00 0.00 175.22 176.35 2a3j h ALA 80 N 0.65 0.83 -2.40 5.36 0.00 -1.60 -3.41 119.26 118.69 2a3j h ALA 80 Ca -0.35 -0.26 0.14 0.00 0.00 0.00 0.00 54.91 54.44 2a3j h ALA 80 Cb 1.31 -0.24 -0.10 0.00 0.00 0.00 0.00 17.79 18.76 2a3j h ALA 80 CO 0.55 0.58 0.46 0.99 0.00 0.00 0.00 179.25 181.83 2a3j s THR 81 N -5.23 0.00 0.54 0.00 2.01 -1.26 -4.94 115.64 106.76 2a3j s THR 81 Ca -0.12 -0.48 0.29 0.00 0.31 0.00 0.00 61.69 61.69 2a3j s THR 81 Cb 0.13 -1.68 0.44 0.00 0.01 0.00 0.00 72.50 71.40 2a3j s THR 81 CO 0.84 0.00 1.92 -0.61 -0.69 0.00 0.00 174.62 176.08 2a3j h GLN 82 N 2.00 0.00 0.09 4.92 -0.00 -1.76 -1.03 115.11 119.34 2a3j h GLN 82 Ca -0.24 0.00 0.01 0.00 -0.00 0.00 0.00 58.65 58.43 2a3j h GLN 82 Cb 1.24 0.00 -0.03 0.00 0.00 0.00 0.00 27.48 28.69 2a3j h GLN 82 CO 0.27 0.00 -0.18 0.93 0.00 0.00 0.00 178.83 179.85 2a3j h GLU 83 N 0.00 -0.34 -0.08 1.69 5.08 -1.95 0.17 114.58 119.15 2a3j h GLU 83 Ca 0.34 0.02 -0.10 0.00 -1.00 0.00 0.00 59.36 58.62 2a3j h GLU 83 Cb 1.41 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.74 2a3j h GLU 83 CO -0.00 -0.22 -0.34 0.77 -1.00 0.00 0.00 179.01 178.22 2a3j h SER 84 N -0.35 0.43 0.03 1.42 0.02 -1.65 -3.02 113.55 110.43 2a3j h SER 84 Ca 0.03 -0.64 0.03 0.00 -0.84 0.00 0.00 61.79 60.37 2a3j h SER 84 Cb 0.37 -0.13 -0.05 0.00 0.14 0.00 0.00 62.40 62.74 2a3j h SER 84 CO -0.11 1.00 -0.34 0.00 -1.14 0.00 0.00 176.83 176.25 2a3j h ALA 85 N 0.45 -0.51 -0.90 3.77 0.00 -1.15 -1.07 119.26 119.85 2a3j h ALA 85 Ca -0.02 -0.03 0.14 0.00 0.00 0.00 0.00 54.91 55.00 2a3j h ALA 85 Cb 0.98 0.58 -0.09 0.00 0.00 0.00 0.00 17.79 19.26 2a3j h ALA 85 CO 0.07 -0.86 0.51 0.37 0.00 0.00 0.00 179.25 179.34 2a3j h GLN 86 N -0.50 0.72 -0.10 0.00 -0.00 -0.76 0.14 115.11 114.61 2a3j h GLN 86 Ca 0.05 -0.04 0.01 0.00 -0.00 0.00 0.00 58.65 58.67 2a3j h GLN 86 Cb 0.58 -0.16 -0.01 0.00 0.00 0.00 0.00 27.48 27.89 2a3j h GLN 86 CO -0.26 0.48 0.04 0.00 0.00 0.00 0.00 178.83 179.09 2a3j h ALA 87 N 1.55 0.11 -0.32 3.38 0.00 -1.19 -0.85 119.26 121.93 2a3j h ALA 87 Ca 0.47 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.31 2a3j h ALA 87 Cb 0.60 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 2a3j h ALA 87 CO -0.33 -0.42 -0.15 0.35 0.00 0.00 0.00 179.25 178.70 2a3j h PHE 88 N 0.09 0.62 -0.36 0.00 3.04 -0.27 0.26 116.94 120.33 2a3j h PHE 88 Ca 0.04 -0.11 -0.02 0.00 3.98 0.00 0.00 57.97 61.86 2a3j h PHE 88 Cb 0.01 -0.16 -0.02 0.00 2.56 0.00 0.00 35.95 38.35 2a3j h PHE 88 CO -0.09 0.69 0.14 0.28 -2.02 0.00 0.00 178.31 177.31 2a3j h VAL 89 N 0.52 1.19 0.00 1.41 2.07 -0.35 -1.52 116.25 119.57 2a3j h VAL 89 Ca 0.09 -0.60 -0.04 0.00 0.82 0.00 0.00 66.70 66.97 2a3j h VAL 89 Cb 0.56 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 2a3j h VAL 89 CO 0.04 0.21 -0.31 -0.33 0.02 0.00 0.00 177.57 177.19 2a3j h GLU 90 N 0.43 0.00 0.00 1.57 4.39 -1.02 0.25 114.58 120.20 2a3j h GLU 90 Ca 0.12 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.77 2a3j h GLU 90 Cb 0.20 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 2a3j h GLU 90 CO -0.01 0.18 -0.23 0.00 -1.16 0.00 0.00 179.01 177.80 2a3j h ALA 91 N 1.80 0.92 0.00 3.43 0.00 -0.21 -3.26 119.26 121.94 2a3j h ALA 91 Ca -0.01 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2a3j h ALA 91 Cb 1.16 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2a3j h ALA 91 CO 0.02 0.29 0.00 1.19 0.00 0.00 0.00 179.25 180.75 2a3j n PHE 92 N -3.25 0.00 -0.31 0.00 3.01 -0.59 -4.76 117.46 111.56 2a3j n PHE 92 Ca 0.02 -0.21 0.28 0.00 1.01 0.00 0.00 57.45 58.55 2a3j n PHE 92 Cb 0.52 -0.02 0.62 0.00 -0.01 0.00 0.00 39.48 40.60 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 0.20 -2.09 -1.08 4.15 -0.54 -2.69 115.11 113.05 2a3j h GLN 93 Ca 0.00 -0.01 -0.53 0.00 0.77 0.00 0.00 58.65 58.88 2a3j h GLN 93 Cb 0.42 -0.04 -0.41 0.00 0.21 0.00 0.00 27.48 27.66 2a3j h GLN 93 CO 0.00 0.13 -1.00 0.41 -1.93 0.00 0.00 178.83 176.45 2a3j n GLY 94 N -1.61 4.17 3.02 2.39 0.00 -1.26 -4.77 105.19 107.13 2a3j n GLY 94 Ca 0.25 -2.05 -0.21 0.00 0.00 0.00 0.00 46.02 44.01 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 -2.59 1.02 -0.50 1.61 6.14 -1.02 -5.10 117.35 116.92 2a3j s TYR 95 Ca 0.42 -0.25 -0.27 0.00 0.64 0.00 0.00 57.07 57.61 2a3j s TYR 95 Cb 0.30 -0.71 -0.02 0.00 0.42 0.00 0.00 41.96 41.95 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 0.08 2.97 0.05 4.97 0.04 -1.26 -4.37 135.00 137.49 2a3j s PRO 96 Ca -0.02 0.91 0.04 0.00 0.04 0.00 0.00 61.00 61.98 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 0.00 -2.31 -0.12 0.12 0.04 0.00 0.00 177.00 174.74 2a3j s PHE 97 N 7.93 1.02 -1.46 0.56 5.36 -1.23 -4.74 117.98 125.42 2a3j s PHE 97 Ca 0.71 -0.44 0.00 0.00 -0.96 0.00 0.00 56.93 56.24 2a3j s PHE 97 Cb -0.16 -0.59 0.00 0.00 -0.34 0.00 0.00 43.02 41.93 2a3j s PHE 97 CO 0.26 0.01 0.00 1.04 -1.46 0.00 0.00 175.22 175.07 2a3j n GLN 98 N 1.50 -1.80 0.00 10.12 1.13 -1.26 -2.62 117.38 124.45 2a3j n GLN 98 Ca -0.21 0.82 0.00 0.00 -1.94 0.00 0.00 57.00 55.67 2a3j n GLN 98 Cb 0.54 -5.35 0.00 0.00 0.11 0.00 0.00 30.24 25.55 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 -0.70 2.96 0.00 1.08 0.00 -1.26 -4.70 105.19 102.56 2a3j n GLY 99 Ca -0.18 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.18 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 -4.59 1.61 4.13 -1.08 -5.00 115.26 110.33 2a3j n ASN 100 Ca 0.00 0.00 -0.42 0.00 1.68 0.00 0.00 54.58 55.84 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 3.22 -0.08 3.52 0.04 -1.26 -3.53 135.00 136.91 2a3j s PRO 101 Ca 0.00 1.15 0.00 0.00 0.04 0.00 0.00 61.00 62.20 2a3j s PRO 101 Cb 0.00 -4.21 0.02 0.00 0.04 0.00 0.00 34.50 30.35 2a3j s PRO 101 CO 0.00 -2.00 -0.07 -1.17 0.04 0.00 0.00 177.00 173.80 2a3j s LEU 102 N 7.10 1.24 -0.05 -3.56 2.96 -1.26 -4.75 118.68 120.35 2a3j s LEU 102 Ca 0.73 -0.24 0.06 0.00 -0.22 0.00 0.00 54.13 54.47 2a3j s LEU 102 Cb -0.19 -0.72 -0.01 0.00 0.50 0.00 0.00 46.19 45.78 2a3j s LEU 102 CO 0.31 -0.08 -0.25 0.54 -1.32 0.00 0.00 176.35 175.54 2a3j s VAL 103 N 1.36 2.04 -0.05 1.68 0.11 -1.26 -4.72 120.40 119.57 2a3j s VAL 103 Ca -0.02 -1.07 -0.00 0.00 -2.93 0.00 0.00 61.98 57.95 2a3j s VAL 103 Cb -0.14 -1.72 0.03 0.00 -1.53 0.00 0.00 36.38 33.02 2a3j s VAL 103 CO -0.04 0.57 -0.00 0.27 -3.33 0.00 0.00 175.10 172.57 2a3j s ILE 104 N -0.22 0.28 0.22 7.04 -0.00 -1.26 -3.69 121.20 123.57 2a3j s ILE 104 Ca -0.02 0.10 -0.06 0.00 -0.00 0.00 0.00 60.65 60.67 2a3j s ILE 104 Cb -0.13 -0.41 -0.02 0.00 -0.00 0.00 0.00 42.46 41.89 2a3j s ILE 104 CO 0.03 0.21 0.28 0.42 -0.00 0.00 0.00 174.94 175.88 2a3j s THR 105 N 1.50 0.00 0.04 8.37 -4.23 -1.18 -4.89 115.64 115.26 2a3j s THR 105 Ca -0.03 -1.74 -0.01 0.00 -1.18 0.00 0.00 61.69 58.74 2a3j s THR 105 Cb -0.13 -2.37 0.01 0.00 1.34 0.00 0.00 72.50 71.35 2a3j s THR 105 CO -0.03 -0.00 0.06 0.49 -0.54 0.00 0.00 174.62 174.60 2a3j n PHE 106 N -0.32 -3.98 -3.92 3.99 3.72 -1.26 -0.53 117.46 115.16 2a3j n PHE 106 Ca 0.00 -0.05 -0.12 0.00 -0.05 0.00 0.00 57.45 57.23 2a3j n PHE 106 Cb 0.64 -0.05 -0.01 0.00 -0.94 0.00 0.00 39.48 39.12 2a3j n PHE 106 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2a3j n SER 107 N -3.04 -1.53 -4.85 4.37 7.64 -0.99 -3.73 113.62 111.48 2a3j n SER 107 Ca 0.01 -2.65 -0.37 0.00 1.01 0.00 0.00 58.87 56.86 2a3j n SER 107 Cb 0.03 2.72 -0.06 0.00 -1.01 0.00 0.00 64.21 65.88 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 -2.53 3.60 -0.44 1.43 0.41 -1.26 -4.81 118.70 115.11 2a3j s GLU 108 Ca 0.23 -0.07 0.07 0.00 -0.41 0.00 0.00 54.97 54.79 2a3j s GLU 108 Cb -0.02 -3.23 0.24 0.00 -1.78 0.00 0.00 34.13 29.34 2a3j s GLU 108 CO 0.17 0.70 0.52 0.25 -0.49 0.00 0.00 175.26 176.41 2a3j n THR 109 N 2.18 -0.29 -1.10 3.63 -2.24 -1.26 -5.04 114.28 110.16 2a3j n THR 109 Ca -0.19 -4.11 -0.30 0.00 -2.27 0.00 0.00 64.05 57.19 2a3j n THR 109 Cb 0.54 -1.94 0.22 0.00 -2.10 0.00 0.00 70.33 67.06 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 -1.18 -0.82 0.00 -0.78 0.04 -1.26 -5.02 135.00 125.98 2a3j s PRO 110 Ca 0.35 0.08 0.04 0.00 0.04 0.00 0.00 61.00 61.51 2a3j s PRO 110 Cb 0.14 -1.63 0.07 0.00 0.04 0.00 0.00 34.50 33.12 2a3j s PRO 110 CO -0.11 -3.47 1.03 0.94 0.04 0.00 0.00 177.00 175.42 2a3j n GLN 111 N -4.62 0.00 0.07 4.56 7.27 -1.26 -4.92 117.38 118.48 2a3j n GLN 111 Ca 0.11 -1.15 -0.01 0.00 0.07 0.00 0.00 57.00 56.01 2a3j n GLN 111 Cb 0.59 0.42 -0.06 0.00 2.41 0.00 0.00 30.24 33.60 2a3j n GLN 111 CO 0.00 0.00 0.00 0.77 0.07 0.00 0.00 177.06 177.90 2a3j h SER 112 N 0.15 0.00 -0.11 1.69 0.02 -2.01 -3.30 113.55 109.99 2a3j h SER 112 Ca -0.52 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 60.46 2a3j h SER 112 Cb 1.49 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 64.02 2a3j h SER 112 CO -0.23 0.66 0.09 0.06 -1.14 0.00 0.00 176.83 176.27 2a3j h GLN 113 N 0.00 0.00 -0.65 3.45 3.07 -2.04 0.23 115.11 119.17 2a3j h GLN 113 Ca -0.10 0.00 -0.21 0.00 0.09 0.00 0.00 58.65 58.43 2a3j h GLN 113 Cb 1.59 0.00 -0.13 0.00 0.08 0.00 0.00 27.48 29.02 2a3j h GLN 113 CO 0.07 0.00 0.22 1.33 0.09 0.00 0.00 178.83 180.54 2a3j n VAL 114 N -4.17 2.83 -0.01 1.86 0.24 -1.24 -4.55 118.33 113.29 2a3j n VAL 114 Ca -0.00 -1.85 -0.11 0.00 -2.04 0.00 0.00 64.34 60.33 2a3j n VAL 114 Cb 0.20 -0.35 -0.09 0.00 -1.47 0.00 0.00 33.84 32.14 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 2.18 -0.08 -0.81 2.33 0.00 -1.08 -3.25 119.26 118.53 2a3j h ALA 115 Ca 0.26 -0.30 0.22 0.00 0.00 0.00 0.00 54.91 55.09 2a3j h ALA 115 Cb 2.18 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 19.96 2a3j h ALA 115 CO 0.66 -0.15 0.57 1.05 0.00 0.00 0.00 179.25 181.38 2a3j h GLU 116 N -0.88 0.11 0.00 0.00 4.11 -1.80 -3.52 114.58 112.60 2a3j h GLU 116 Ca -0.01 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.41 2a3j h GLU 116 Cb 0.62 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.85 2a3j h GLU 116 CO 0.01 0.07 0.00 -0.25 0.07 0.00 0.00 179.01 178.92