#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 0.29 -2.82 0.04 -1.26 -4.89 135.00 129.94 2a3j s PRO 23 Ca 0.00 1.45 0.07 0.00 0.04 0.00 0.00 61.00 62.57 2a3j s PRO 23 Cb 0.00 -4.10 0.44 0.00 0.04 0.00 0.00 34.50 30.88 2a3j s PRO 23 CO 0.00 -1.57 1.68 -1.00 0.04 0.00 0.00 177.00 176.15 2a3j h PRO 24 N 11.61 0.18 -5.80 0.56 0.13 -2.09 -3.43 132.00 133.15 2a3j h PRO 24 Ca -0.33 -0.09 -0.63 0.00 -0.87 0.00 0.00 66.00 64.08 2a3j h PRO 24 Cb 1.15 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.22 2a3j h PRO 24 CO 1.03 0.61 -0.32 -1.01 -0.23 0.00 0.00 178.00 178.08 2a3j s HIS 25 N -4.01 3.64 -1.18 1.56 3.76 -1.26 -5.02 115.29 112.78 2a3j s HIS 25 Ca -0.04 0.77 -0.06 0.00 -0.15 0.00 0.00 55.06 55.59 2a3j s HIS 25 Cb 0.13 -2.18 0.23 0.00 1.11 0.00 0.00 32.58 31.87 2a3j s HIS 25 CO 0.77 0.61 1.79 0.25 -0.85 0.00 0.00 174.74 177.31 2a3j n THR 26 N 2.15 5.02 -1.31 1.30 -2.24 -1.26 -4.95 114.28 112.98 2a3j n THR 26 Ca -0.16 -5.14 0.06 0.00 -2.27 0.00 0.00 64.05 56.54 2a3j n THR 26 Cb 0.53 -2.13 -0.03 0.00 -2.10 0.00 0.00 70.33 66.60 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 2.22 -3.30 -0.09 -0.78 -0.58 -1.26 -4.96 120.64 111.88 2a3j n GLU 27 Ca 0.38 2.61 -0.03 0.00 -0.42 0.00 0.00 57.16 59.71 2a3j n GLU 27 Cb 0.32 -3.42 0.02 0.00 -0.57 0.00 0.00 31.44 27.80 2a3j n GLU 27 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 2a3j n PRO 28 N -3.04 -1.21 -2.44 3.49 -0.04 -1.26 -4.91 135.00 125.59 2a3j n PRO 28 Ca -0.03 -0.15 -0.42 0.00 -0.04 0.00 0.00 63.50 62.86 2a3j n PRO 28 Cb 0.48 -0.14 -0.03 0.00 -0.04 0.00 0.00 33.50 33.78 2a3j n PRO 28 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2a3j s SER 29 N -1.77 6.23 0.06 3.54 0.01 -1.26 -4.77 113.70 115.74 2a3j s SER 29 Ca 0.06 0.27 0.23 0.00 1.31 0.00 0.00 55.95 57.82 2a3j s SER 29 Cb -0.01 -2.55 -0.00 0.00 0.21 0.00 0.00 66.02 63.67 2a3j s SER 29 CO 0.05 -1.63 0.97 0.00 0.41 0.00 0.00 173.24 173.04 2a3j n GLN 30 N 8.57 0.35 -4.32 12.44 6.02 -1.26 -3.30 117.38 135.88 2a3j n GLN 30 Ca 0.12 -0.01 -0.35 0.00 -0.01 0.00 0.00 57.00 56.75 2a3j n GLN 30 Cb 0.49 -1.61 -0.09 0.00 1.02 0.00 0.00 30.24 30.05 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 -3.24 4.42 -0.05 5.09 -7.23 -1.26 -0.96 120.40 117.17 2a3j s VAL 31 Ca 0.02 -0.23 0.05 0.00 -1.81 0.00 0.00 61.98 60.01 2a3j s VAL 31 Cb 0.14 -2.88 -0.02 0.00 0.56 0.00 0.00 36.38 34.18 2a3j s VAL 31 CO 0.81 0.59 -0.18 0.68 -0.31 0.00 0.00 175.10 176.69 2a3j s VAL 32 N -0.92 2.76 -0.26 1.32 -7.23 -0.76 -2.26 120.40 113.06 2a3j s VAL 32 Ca 0.14 -0.83 -0.07 0.00 -1.81 0.00 0.00 61.98 59.41 2a3j s VAL 32 Cb -0.11 -2.06 -0.02 0.00 0.56 0.00 0.00 36.38 34.75 2a3j s VAL 32 CO 0.03 0.58 0.07 -0.22 -0.31 0.00 0.00 175.10 175.26 2a3j s LEU 33 N -0.62 3.52 0.04 1.32 2.96 0.21 -0.80 118.68 125.32 2a3j s LEU 33 Ca 0.09 -0.33 0.02 0.00 -0.22 0.00 0.00 54.13 53.69 2a3j s LEU 33 Cb -0.11 -1.91 -0.04 0.00 0.50 0.00 0.00 46.19 44.63 2a3j s LEU 33 CO 0.01 -0.07 0.04 0.27 -1.32 0.00 0.00 176.35 175.28 2a3j s ILE 34 N 1.59 4.38 0.16 6.68 -0.00 0.08 -3.12 121.20 130.96 2a3j s ILE 34 Ca 0.06 -0.68 0.01 0.00 -0.00 0.00 0.00 60.65 60.03 2a3j s ILE 34 Cb -0.16 -3.04 -0.00 0.00 -0.00 0.00 0.00 42.46 39.26 2a3j s ILE 34 CO 0.03 0.24 0.19 0.35 -0.00 0.00 0.00 174.94 175.76 2a3j n THR 35 N 0.90 0.00 -1.87 8.37 -2.24 -1.24 -1.49 114.28 116.71 2a3j n THR 35 Ca -0.12 -0.91 -0.16 0.00 -2.27 0.00 0.00 64.05 60.60 2a3j n THR 35 Cb 0.52 0.51 -0.04 0.00 -2.10 0.00 0.00 70.33 69.23 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 -2.08 -4.84 -4.81 3.42 5.15 -1.23 -3.98 115.26 106.90 2a3j n ASN 36 Ca 0.01 0.20 -0.38 0.00 -0.60 0.00 0.00 54.58 53.81 2a3j n ASN 36 Cb 0.27 -3.85 -0.06 0.00 -0.53 0.00 0.00 39.78 35.61 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 -2.69 5.13 -0.12 -1.44 -4.36 -1.17 -4.76 121.20 111.79 2a3j s ILE 37 Ca 0.00 0.75 -0.29 0.00 -0.26 0.00 0.00 60.65 60.85 2a3j s ILE 37 Cb 0.00 -3.68 -0.02 0.00 1.25 0.00 0.00 42.46 40.01 2a3j s ILE 37 CO 0.00 0.53 1.23 0.20 0.24 0.00 0.00 174.94 177.14 2a3j s ASN 38 N -0.65 6.99 0.00 4.36 0.01 -1.26 -4.56 114.94 119.83 2a3j s ASN 38 Ca 0.22 1.74 0.15 0.00 -0.71 0.00 0.00 52.86 54.26 2a3j s ASN 38 Cb -0.16 -2.55 0.72 0.00 0.41 0.00 0.00 41.25 39.67 2a3j s ASN 38 CO 0.11 -0.69 1.42 -0.81 -1.51 0.00 0.00 177.10 175.62 2a3j n PRO 39 N 6.02 0.16 -0.12 -0.60 -0.04 -1.26 -3.30 135.00 135.86 2a3j n PRO 39 Ca 0.13 0.17 0.27 0.00 -0.04 0.00 0.00 63.50 64.02 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 -5.80 0.54 5.08 -1.93 -3.39 114.58 109.08 2a3j h GLU 40 Ca 0.00 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.77 2a3j h GLU 40 Cb 0.16 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.34 2a3j h GLU 40 CO 0.00 0.00 -0.20 0.54 -1.00 0.00 0.00 179.01 178.35 2a3j s VAL 41 N -4.90 5.14 0.28 3.13 0.11 -1.21 -5.06 120.40 117.90 2a3j s VAL 41 Ca -0.05 0.83 -0.29 0.00 -2.93 0.00 0.00 61.98 59.54 2a3j s VAL 41 Cb 0.20 -3.74 -0.10 0.00 -1.53 0.00 0.00 36.38 31.21 2a3j s VAL 41 CO 0.72 0.44 1.24 -2.16 -3.33 0.00 0.00 175.10 172.02 2a3j s PRO 42 N -0.10 4.45 0.46 1.54 0.04 -1.26 -4.74 135.00 135.39 2a3j s PRO 42 Ca 0.23 2.05 0.28 0.00 0.04 0.00 0.00 61.00 63.60 2a3j s PRO 42 Cb -0.15 -3.14 1.33 0.00 0.04 0.00 0.00 34.50 32.58 2a3j s PRO 42 CO 0.10 -0.09 1.75 -0.22 0.04 0.00 0.00 177.00 178.59 2a3j h LYS 43 N 4.02 0.19 -0.16 4.56 3.11 -1.95 0.37 116.57 126.70 2a3j h LYS 43 Ca -0.47 -0.01 0.05 0.00 -2.81 0.00 0.00 60.65 57.41 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 0.69 0.12 -0.34 1.49 -2.81 0.00 0.00 179.45 178.61 2a3j h GLU 44 N 0.19 -0.38 0.15 1.90 4.81 -1.99 0.41 114.58 119.67 2a3j h GLU 44 Ca 0.64 0.03 -0.28 0.00 -0.13 0.00 0.00 59.36 59.62 2a3j h GLU 44 Cb 2.03 0.09 0.01 0.00 0.63 0.00 0.00 28.75 31.51 2a3j h GLU 44 CO -0.21 -0.25 -1.34 -0.22 -0.73 0.00 0.00 179.01 176.25 2a3j h LYS 45 N -0.39 0.32 -0.48 1.92 3.11 -1.45 -3.15 116.57 116.46 2a3j h LYS 45 Ca 0.10 -0.55 0.09 0.00 -2.81 0.00 0.00 60.65 57.48 2a3j h LYS 45 Cb 0.56 0.20 -0.07 0.00 -1.00 0.00 0.00 32.23 31.92 2a3j h LYS 45 CO -0.38 1.26 0.03 1.25 -2.81 0.00 0.00 179.45 178.80 2a3j h LEU 46 N -0.19 -0.13 -0.06 5.20 5.85 -0.28 0.11 115.31 125.80 2a3j h LEU 46 Ca -0.27 0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.55 2a3j h LEU 46 Cb 1.84 0.17 -0.00 0.00 0.37 0.00 0.00 40.66 43.04 2a3j h LEU 46 CO 0.13 -0.04 0.02 -0.61 -0.34 0.00 0.00 178.44 177.60 2a3j h GLN 47 N 0.15 0.09 -0.46 1.25 4.15 -0.33 -1.69 115.11 118.27 2a3j h GLN 47 Ca 0.24 -0.02 0.08 0.00 0.77 0.00 0.00 58.65 59.73 2a3j h GLN 47 Cb 0.35 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 28.00 2a3j h GLN 47 CO -0.37 0.24 0.31 0.00 -1.93 0.00 0.00 178.83 177.08 2a3j h ALA 48 N 0.85 2.09 -0.04 3.38 0.00 -1.36 -2.18 119.26 121.99 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 0.18 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2a3j h ALA 48 CO -0.00 -0.19 -0.10 -0.07 0.00 0.00 0.00 179.25 178.89 2a3j h LEU 49 N 0.27 0.15 -2.02 0.00 -0.00 -0.46 -2.89 115.31 110.35 2a3j h LEU 49 Ca 0.21 -0.60 0.13 0.00 -0.00 0.00 0.00 57.88 57.62 2a3j h LEU 49 Cb 0.49 -0.04 -0.02 0.00 -0.00 0.00 0.00 40.66 41.08 2a3j h LEU 49 CO -0.04 0.73 0.36 -0.07 -0.00 0.00 0.00 178.44 179.42 2a3j h LEU 50 N -0.42 0.00 -0.03 1.67 3.38 -0.71 -1.43 115.31 117.77 2a3j h LEU 50 Ca -0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 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 -0.15 0.22 0.09 0.00 0.00 178.44 178.62 2a3j h TYR 51 N 0.00 0.21 -0.24 1.13 5.03 -1.38 -2.19 116.97 119.53 2a3j h TYR 51 Ca 0.22 -0.09 0.06 0.00 2.58 0.00 0.00 58.73 61.50 2a3j h TYR 51 Cb 0.94 -0.03 -0.07 0.00 1.55 0.00 0.00 36.73 39.12 2a3j h TYR 51 CO 0.00 0.80 -0.27 0.00 -1.32 0.00 0.00 178.16 177.37 2a3j h ALA 52 N 0.37 -0.19 -0.77 1.82 0.00 -1.06 0.22 119.26 119.66 2a3j h ALA 52 Ca -0.01 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 2a3j h ALA 52 Cb 0.81 0.55 -0.03 0.00 0.00 0.00 0.00 17.79 19.12 2a3j h ALA 52 CO 0.03 -0.70 0.31 -0.07 0.00 0.00 0.00 179.25 178.82 2a3j h LEU 53 N -0.28 1.07 0.34 0.00 3.38 -1.58 -2.28 115.31 115.95 2a3j h LEU 53 Ca 0.13 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 2a3j h LEU 53 Cb 0.49 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 2a3j h LEU 53 CO -0.40 0.95 -0.18 0.00 0.09 0.00 0.00 178.44 178.89 2a3j h ALA 54 N 1.16 -0.48 -0.29 1.53 0.00 -0.63 -2.33 119.26 118.22 2a3j h ALA 54 Ca 0.26 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.13 2a3j h ALA 54 Cb 0.21 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2a3j h ALA 54 CO -0.02 -0.78 0.20 1.03 0.00 0.00 0.00 179.25 179.68 2a3j h SER 55 N -0.49 0.08 -0.00 0.00 0.87 -0.51 0.74 113.55 114.25 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 0.39 -0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 62.33 2a3j h SER 55 CO 0.05 0.06 0.02 -1.28 -0.53 0.00 0.00 176.83 175.15 2a3j h SER 56 N 0.10 0.00 0.00 6.23 0.87 -0.83 -3.35 113.55 116.56 2a3j h SER 56 Ca 0.13 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 2a3j h SER 56 Cb 0.41 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.37 2a3j h SER 56 CO -0.01 0.00 0.00 0.00 -0.53 0.00 0.00 176.83 176.29 2a3j n GLN 57 N -3.20 0.00 -4.69 2.24 1.13 0.10 -5.11 117.38 107.85 2a3j n GLN 57 Ca -0.03 0.00 -0.31 0.00 -1.94 0.00 0.00 57.00 54.73 2a3j n GLN 57 Cb 0.09 -0.08 -0.09 0.00 0.11 0.00 0.00 30.24 30.27 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 -2.39 2.77 0.33 1.08 0.00 -0.32 -4.99 107.32 103.81 2a3j s GLY 58 Ca 0.00 -1.32 -0.26 0.00 0.00 0.00 0.00 44.72 43.14 2a3j s GLY 58 CO 0.00 -2.15 0.98 -0.35 0.00 0.00 0.00 173.10 171.58 2a3j s ASP 59 N -3.80 7.23 -0.13 1.64 -1.08 -1.26 -3.41 116.67 115.87 2a3j s ASP 59 Ca 0.20 1.91 -0.04 0.00 -0.52 0.00 0.00 52.55 54.11 2a3j s ASP 59 Cb 0.06 -2.59 -0.03 0.00 -1.46 0.00 0.00 42.92 38.90 2a3j s ASP 59 CO 0.10 -0.15 0.00 -0.63 0.52 0.00 0.00 175.17 175.02 2a3j s ILE 60 N -1.57 4.26 -0.12 4.11 1.09 -1.26 -1.52 121.20 126.19 2a3j s ILE 60 Ca 0.51 -0.24 0.20 0.00 -1.10 0.00 0.00 60.65 60.02 2a3j s ILE 60 Cb -0.21 -2.85 -0.29 0.00 -1.06 0.00 0.00 42.46 38.05 2a3j s ILE 60 CO 0.26 0.53 0.26 0.18 -0.10 0.00 0.00 174.94 176.07 2a3j n LEU 61 N 2.97 0.00 -3.38 2.97 4.77 -0.28 -4.91 117.00 119.14 2a3j n LEU 61 Ca -0.18 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 55.84 2a3j n LEU 61 Cb 0.53 0.27 -0.05 0.00 -2.33 0.00 0.00 43.42 41.84 2a3j n LEU 61 CO 0.32 0.27 1.00 -0.62 -1.33 0.00 0.00 177.39 177.03 2a3j s ASP 62 N -5.05 -0.00 -0.35 -1.43 2.15 -1.21 -5.04 116.67 105.73 2a3j s ASP 62 Ca -0.09 0.00 -0.10 0.00 0.43 0.00 0.00 52.55 52.79 2a3j s ASP 62 Cb 0.10 1.00 0.02 0.00 -0.30 0.00 0.00 42.92 43.73 2a3j s ASP 62 CO 0.87 -0.00 0.18 -0.63 -0.17 0.00 0.00 175.17 175.42 2a3j s ILE 63 N 1.54 4.57 0.03 4.11 1.01 -1.26 -1.23 121.20 129.97 2a3j s ILE 63 Ca -0.03 -0.71 -0.04 0.00 0.00 0.00 0.00 60.65 59.87 2a3j s ILE 63 Cb -0.01 -3.47 -0.05 0.00 0.01 0.00 0.00 42.46 38.94 2a3j s ILE 63 CO -0.13 -0.12 0.25 -0.69 0.00 0.00 0.00 174.94 174.25 2a3j s VAL 64 N 1.57 5.33 -0.03 2.92 1.01 0.11 -4.99 120.40 126.33 2a3j s VAL 64 Ca 0.03 -0.05 -0.02 0.00 0.00 0.00 0.00 61.98 61.94 2a3j s VAL 64 Cb -0.18 -3.58 0.02 0.00 0.00 0.00 0.00 36.38 32.63 2a3j s VAL 64 CO 0.06 0.26 0.08 -0.69 0.00 0.00 0.00 175.10 174.81 2a3j s VAL 65 N -1.40 -0.02 0.00 2.92 1.01 -1.26 -0.27 120.40 121.38 2a3j s VAL 65 Ca 0.31 0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.37 2a3j s VAL 65 Cb -0.13 -0.13 0.00 0.00 0.00 0.00 0.00 36.38 36.12 2a3j s VAL 65 CO 0.20 0.03 0.00 -0.67 0.00 0.00 0.00 175.10 174.67 2a3j n ASP 66 N 3.52 -0.63 -1.42 3.32 2.03 -1.06 -4.87 116.55 117.44 2a3j n ASP 66 Ca -0.18 -0.04 0.05 0.00 0.52 0.00 0.00 54.79 55.13 2a3j n ASP 66 Cb 0.56 0.00 0.27 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 4.13 -3.64 -2.67 -0.00 -1.26 -4.92 117.00 108.65 2a3j n LEU 67 Ca 0.00 -2.10 -0.29 0.00 -0.00 0.00 0.00 56.01 53.62 2a3j n LEU 67 Cb 0.00 -0.62 0.05 0.00 -0.00 0.00 0.00 43.42 42.85 2a3j n LEU 67 CO 0.00 0.50 -0.06 -0.24 -0.00 0.00 0.00 177.39 177.59 2a3j n SER 68 N 0.43 -5.34 -4.79 1.45 2.88 -1.26 -4.93 113.62 102.05 2a3j n SER 68 Ca 0.18 -0.98 -0.35 0.00 -1.33 0.00 0.00 58.87 56.39 2a3j n SER 68 Cb 0.87 -3.60 -0.04 0.00 -0.75 0.00 0.00 64.21 60.70 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 -3.49 6.72 0.00 -3.46 1.11 -1.26 -4.81 116.67 111.48 2a3j s ASP 69 Ca 0.46 1.94 0.23 0.00 0.18 0.00 0.00 52.55 55.36 2a3j s ASP 69 Cb -0.15 -2.57 1.10 0.00 1.07 0.00 0.00 42.92 42.37 2a3j s ASP 69 CO 0.85 -0.52 1.73 0.47 1.18 0.00 0.00 175.17 178.88 2a3j n ASP 70 N -0.34 0.00 0.00 0.27 9.92 -1.26 -1.67 116.55 123.47 2a3j n ASP 70 Ca 0.06 0.07 0.00 0.00 -0.53 0.00 0.00 54.79 54.39 2a3j n ASP 70 Cb 0.51 -0.33 0.00 0.00 -0.64 0.00 0.00 41.12 40.66 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 -1.33 0.07 0.00 -2.24 5.15 -1.26 -4.90 115.26 110.75 2a3j n ASN 71 Ca 0.10 -0.53 0.00 0.00 -0.60 0.00 0.00 54.58 53.55 2a3j n ASN 71 Cb 0.20 0.90 0.00 0.00 -0.53 0.00 0.00 39.78 40.35 2a3j n ASN 71 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 2a3j n SER 72 N -0.90 0.00 -2.97 1.20 2.88 -1.12 -5.10 113.62 107.61 2a3j n SER 72 Ca 0.00 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.50 2a3j n SER 72 Cb 0.00 -0.09 0.00 0.00 -0.75 0.00 0.00 64.21 63.37 2a3j n SER 72 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2a3j n GLY 73 N 3.17 -2.11 3.72 0.46 0.00 -0.67 -4.60 105.19 105.17 2a3j n GLY 73 Ca 0.00 0.46 -0.11 0.00 0.00 0.00 0.00 46.02 46.37 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 -1.60 2.18 0.17 1.61 -2.85 -1.26 -3.05 119.74 114.94 2a3j s LYS 74 Ca 0.06 -1.55 -0.22 0.00 -1.00 0.00 0.00 55.97 53.26 2a3j s LYS 74 Cb -0.01 0.58 0.08 0.00 -2.06 0.00 0.00 37.83 36.41 2a3j s LYS 74 CO 0.52 -0.99 1.04 0.00 0.10 0.00 0.00 175.35 176.02 2a3j n ALA 75 N -0.55 -2.72 -3.72 0.59 0.00 -0.56 -2.57 120.51 110.98 2a3j n ALA 75 Ca -0.06 -1.00 -0.14 0.00 0.00 0.00 0.00 53.44 52.24 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 -2.13 -0.23 -0.35 0.00 1.51 0.63 -0.74 117.35 116.03 2a3j s TYR 76 Ca 0.23 0.62 -0.07 0.00 -1.01 0.00 0.00 57.07 56.85 2a3j s TYR 76 Cb -0.03 -0.08 0.05 0.00 -0.11 0.00 0.00 41.96 41.79 2a3j s TYR 76 CO 0.05 -0.22 0.13 0.42 -1.11 0.00 0.00 175.55 174.83 2a3j s ILE 77 N 1.51 3.88 -0.13 2.71 1.01 0.02 0.09 121.20 130.28 2a3j s ILE 77 Ca -0.06 -1.18 -0.26 0.00 0.00 0.00 0.00 60.65 59.16 2a3j s ILE 77 Cb -0.11 -3.23 -0.02 0.00 0.01 0.00 0.00 42.46 39.11 2a3j s ILE 77 CO -0.07 -0.24 0.84 -0.69 0.00 0.00 0.00 174.94 174.78 2a3j s VAL 78 N 1.41 4.90 0.54 2.92 1.01 -0.37 -1.82 120.40 128.98 2a3j s VAL 78 Ca -0.00 1.68 0.06 0.00 0.00 0.00 0.00 61.98 63.71 2a3j s VAL 78 Cb -0.20 -4.15 0.04 0.00 0.00 0.00 0.00 36.38 32.06 2a3j s VAL 78 CO 0.03 0.07 0.42 -0.36 0.00 0.00 0.00 175.10 175.26 2a3j s PHE 79 N 1.81 1.70 0.20 5.22 0.08 -0.14 -1.13 117.98 125.72 2a3j s PHE 79 Ca 0.40 -0.81 -0.10 0.00 0.12 0.00 0.00 56.93 56.54 2a3j s PHE 79 Cb -0.17 -1.95 0.13 0.00 -0.57 0.00 0.00 43.02 40.46 2a3j s PHE 79 CO 0.15 -0.48 1.79 0.00 -0.10 0.00 0.00 175.22 176.59 2a3j h ALA 80 N 0.75 0.92 -2.40 5.36 0.00 -1.53 -3.41 119.26 118.95 2a3j h ALA 80 Ca -0.37 -0.14 0.16 0.00 0.00 0.00 0.00 54.91 54.57 2a3j h ALA 80 Cb 1.30 -0.28 -0.08 0.00 0.00 0.00 0.00 17.79 18.72 2a3j h ALA 80 CO 0.57 0.47 0.46 0.99 0.00 0.00 0.00 179.25 181.74 2a3j s THR 81 N -5.74 0.00 0.54 0.00 2.01 -1.26 -4.97 115.64 106.22 2a3j s THR 81 Ca -0.13 -0.65 0.29 0.00 0.31 0.00 0.00 61.69 61.51 2a3j s THR 81 Cb 0.14 -1.93 0.44 0.00 0.01 0.00 0.00 72.50 71.16 2a3j s THR 81 CO 0.80 0.00 1.93 -0.61 -0.69 0.00 0.00 174.62 176.05 2a3j h GLN 82 N 2.00 0.00 0.05 4.92 -0.00 -1.83 -0.85 115.11 119.40 2a3j h GLN 82 Ca -0.24 0.00 0.01 0.00 -0.00 0.00 0.00 58.65 58.42 2a3j h GLN 82 Cb 1.23 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 28.70 2a3j h GLN 82 CO 0.26 0.00 -0.09 0.93 0.00 0.00 0.00 178.83 179.92 2a3j h GLU 83 N 0.00 -0.18 -0.07 1.69 5.08 -1.95 0.92 114.58 120.07 2a3j h GLU 83 Ca 0.33 0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.61 2a3j h GLU 83 Cb 1.38 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.67 2a3j h GLU 83 CO -0.00 -0.12 -0.31 0.77 -1.00 0.00 0.00 179.01 178.34 2a3j h SER 84 N -0.19 0.40 0.07 1.42 0.02 -1.61 -2.91 113.55 110.76 2a3j h SER 84 Ca 0.02 -0.64 0.02 0.00 -0.84 0.00 0.00 61.79 60.36 2a3j h SER 84 Cb 0.20 -0.12 -0.05 0.00 0.14 0.00 0.00 62.40 62.58 2a3j h SER 84 CO -0.06 0.97 -0.36 0.00 -1.14 0.00 0.00 176.83 176.24 2a3j h ALA 85 N 0.44 -0.60 -0.67 3.77 0.00 -1.17 -0.60 119.26 120.44 2a3j h ALA 85 Ca -0.02 -0.05 0.11 0.00 0.00 0.00 0.00 54.91 54.95 2a3j h ALA 85 Cb 0.96 0.61 -0.04 0.00 0.00 0.00 0.00 17.79 19.32 2a3j h ALA 85 CO 0.07 -0.90 0.45 0.37 0.00 0.00 0.00 179.25 179.23 2a3j h GLN 86 N -0.56 0.46 -0.34 0.00 4.15 -0.91 0.26 115.11 118.17 2a3j h GLN 86 Ca 0.04 -0.03 -0.04 0.00 0.77 0.00 0.00 58.65 59.39 2a3j h GLN 86 Cb 0.61 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 28.19 2a3j h GLN 86 CO -0.24 0.31 0.05 0.00 -1.93 0.00 0.00 178.83 177.01 2a3j h ALA 87 N 1.67 0.45 -0.05 3.38 0.00 -1.01 -0.56 119.26 123.14 2a3j h ALA 87 Ca 0.31 -0.21 -0.19 0.00 0.00 0.00 0.00 54.91 54.83 2a3j h ALA 87 Cb 0.59 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2a3j h ALA 87 CO -0.10 0.16 -0.78 0.35 0.00 0.00 0.00 179.25 178.88 2a3j h PHE 88 N 0.40 0.46 -0.51 0.00 3.04 -0.13 -0.42 116.94 119.79 2a3j h PHE 88 Ca 0.10 -0.22 -0.10 0.00 3.98 0.00 0.00 57.97 61.73 2a3j h PHE 88 Cb 0.37 -0.07 -0.02 0.00 2.56 0.00 0.00 35.95 38.79 2a3j h PHE 88 CO 0.03 0.99 -0.08 0.28 -2.02 0.00 0.00 178.31 177.50 2a3j h VAL 89 N 0.22 1.27 0.00 1.41 2.07 -0.42 -1.62 116.25 119.17 2a3j h VAL 89 Ca -0.04 -1.21 -0.11 0.00 0.82 0.00 0.00 66.70 66.16 2a3j h VAL 89 Cb 1.37 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 32.13 2a3j h VAL 89 CO 0.13 0.42 -0.66 1.05 0.02 0.00 0.00 177.57 178.54 2a3j h GLU 90 N 0.81 0.00 0.00 1.57 -0.00 -1.11 0.25 114.58 116.09 2a3j h GLU 90 Ca 0.13 0.00 -0.06 0.00 -0.00 0.00 0.00 59.36 59.43 2a3j h GLU 90 Cb 0.63 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.37 2a3j h GLU 90 CO 0.04 0.47 -0.30 0.00 -0.00 0.00 0.00 179.01 179.22 2a3j h ALA 91 N 1.49 0.88 0.00 1.06 0.00 -0.92 -3.25 119.26 118.52 2a3j h ALA 91 Ca -0.03 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2a3j h ALA 91 Cb 1.41 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.16 2a3j h ALA 91 CO 0.06 0.37 0.00 1.19 0.00 0.00 0.00 179.25 180.87 2a3j n PHE 92 N -3.28 0.00 -0.33 0.00 3.01 -0.62 -4.74 117.46 111.50 2a3j n PHE 92 Ca 0.01 -0.30 0.28 0.00 1.01 0.00 0.00 57.45 58.45 2a3j n PHE 92 Cb 0.56 -0.03 0.61 0.00 -0.01 0.00 0.00 39.48 40.61 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 0.22 -2.07 -1.08 5.75 -0.53 -2.73 115.11 114.66 2a3j h GLN 93 Ca 0.00 -0.01 -0.52 0.00 -0.15 0.00 0.00 58.65 57.96 2a3j h GLN 93 Cb 0.41 -0.05 -0.40 0.00 1.07 0.00 0.00 27.48 28.51 2a3j h GLN 93 CO 0.00 0.14 -1.03 0.41 -2.65 0.00 0.00 178.83 175.70 2a3j n GLY 94 N -1.59 4.01 3.05 2.39 0.00 -1.26 -4.75 105.19 107.04 2a3j n GLY 94 Ca 0.26 -1.97 -0.22 0.00 0.00 0.00 0.00 46.02 44.09 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 -2.48 1.16 -0.49 1.61 6.14 -1.03 -5.10 117.35 117.17 2a3j s TYR 95 Ca 0.41 -0.29 -0.27 0.00 0.64 0.00 0.00 57.07 57.56 2a3j s TYR 95 Cb 0.30 -0.80 -0.02 0.00 0.42 0.00 0.00 41.96 41.86 2a3j s TYR 95 CO -0.09 -0.09 1.78 -1.25 0.64 0.00 0.00 175.55 176.54 2a3j s PRO 96 N 0.04 2.99 0.05 4.97 0.04 -1.26 -4.35 135.00 137.48 2a3j s PRO 96 Ca -0.01 0.94 0.03 0.00 0.04 0.00 0.00 61.00 62.00 2a3j s PRO 96 Cb -0.08 -4.28 -0.02 0.00 0.04 0.00 0.00 34.50 30.16 2a3j s PRO 96 CO 0.01 -2.28 -0.10 0.12 0.04 0.00 0.00 177.00 174.78 2a3j s PHE 97 N 7.85 0.89 -1.68 0.56 5.36 -1.23 -4.74 117.98 124.98 2a3j s PHE 97 Ca 0.71 -0.45 0.00 0.00 -0.96 0.00 0.00 56.93 56.23 2a3j s PHE 97 Cb -0.16 -0.52 0.00 0.00 -0.34 0.00 0.00 43.02 42.00 2a3j s PHE 97 CO 0.27 -0.02 0.00 0.94 -1.46 0.00 0.00 175.22 174.95 2a3j n GLN 98 N 1.53 -1.64 0.00 10.12 0.00 -1.26 -2.74 117.38 123.40 2a3j n GLN 98 Ca -0.21 0.94 0.00 0.00 -0.00 0.00 0.00 57.00 57.73 2a3j n GLN 98 Cb 0.55 -5.42 0.00 0.00 0.00 0.00 0.00 30.24 25.36 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 -0.62 2.98 0.00 1.69 0.00 -1.26 -4.60 105.19 103.37 2a3j n GLY 99 Ca -0.19 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.20 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 4.13 -1.11 -5.01 115.26 110.30 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 3.15 -0.10 3.52 0.04 -1.26 -3.57 135.00 136.78 2a3j s PRO 101 Ca 0.00 1.08 -0.00 0.00 0.04 0.00 0.00 61.00 62.12 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 -2.09 -0.08 -1.17 0.04 0.00 0.00 177.00 173.71 2a3j s LEU 102 N 7.33 1.22 -0.05 -3.56 2.96 -1.26 -4.69 118.68 120.63 2a3j s LEU 102 Ca 0.73 -0.29 0.06 0.00 -0.22 0.00 0.00 54.13 54.41 2a3j s LEU 102 Cb -0.18 -0.81 -0.01 0.00 0.50 0.00 0.00 46.19 45.69 2a3j s LEU 102 CO 0.29 -0.10 -0.24 0.54 -1.32 0.00 0.00 176.35 175.52 2a3j s VAL 103 N 1.55 2.14 -0.05 1.68 0.11 -1.26 -4.69 120.40 119.88 2a3j s VAL 103 Ca 0.02 -1.04 -0.00 0.00 -2.93 0.00 0.00 61.98 58.02 2a3j s VAL 103 Cb -0.13 -1.77 0.03 0.00 -1.53 0.00 0.00 36.38 32.97 2a3j s VAL 103 CO -0.06 0.57 -0.01 0.27 -3.33 0.00 0.00 175.10 172.54 2a3j s ILE 104 N -0.25 0.37 0.25 7.04 -0.00 -1.26 -3.70 121.20 123.66 2a3j s ILE 104 Ca -0.01 0.04 -0.05 0.00 -0.00 0.00 0.00 60.65 60.63 2a3j s ILE 104 Cb -0.13 -0.47 -0.02 0.00 -0.00 0.00 0.00 42.46 41.83 2a3j s ILE 104 CO 0.03 0.22 0.31 0.42 -0.00 0.00 0.00 174.94 175.92 2a3j s THR 105 N 1.39 0.00 0.82 8.37 -4.23 -1.18 -4.91 115.64 115.89 2a3j s THR 105 Ca -0.04 -1.74 -0.06 0.00 -1.18 0.00 0.00 61.69 58.67 2a3j s THR 105 Cb -0.13 -2.42 0.16 0.00 1.34 0.00 0.00 72.50 71.45 2a3j s THR 105 CO -0.03 0.00 1.12 -0.36 -0.54 0.00 0.00 174.62 174.82 2a3j s PHE 106 N -3.90 1.41 0.37 3.99 0.40 -1.26 -0.61 117.98 118.38 2a3j s PHE 106 Ca 0.32 -0.14 0.05 0.00 -0.60 0.00 0.00 56.93 56.57 2a3j s PHE 106 Cb 0.03 -3.39 -0.03 0.00 0.51 0.00 0.00 43.02 40.15 2a3j s PHE 106 CO 0.13 -2.11 0.20 -1.12 0.70 0.00 0.00 175.22 173.02 2a3j s SER 107 N -4.83 2.23 -0.18 1.36 0.01 -0.96 -4.23 113.70 107.11 2a3j s SER 107 Ca 0.70 -1.72 -0.07 0.00 1.31 0.00 0.00 55.95 56.17 2a3j s SER 107 Cb -0.04 0.54 -0.04 0.00 0.21 0.00 0.00 66.02 66.69 2a3j s SER 107 CO 0.48 -1.00 0.06 -1.83 0.41 0.00 0.00 173.24 171.36 2a3j s GLU 108 N -3.60 3.97 -0.66 12.44 -1.05 -1.26 -4.71 118.70 123.83 2a3j s GLU 108 Ca 0.31 -0.34 0.05 0.00 -0.15 0.00 0.00 54.97 54.85 2a3j s GLU 108 Cb 0.02 -3.22 0.26 0.00 -0.44 0.00 0.00 34.13 30.76 2a3j s GLU 108 CO 0.20 0.29 0.82 0.25 0.95 0.00 0.00 175.26 177.78 2a3j n THR 109 N 3.49 2.65 -0.96 1.83 -2.24 -1.26 -5.08 114.28 112.71 2a3j n THR 109 Ca -0.17 -5.32 -0.25 0.00 -2.27 0.00 0.00 64.05 56.05 2a3j n THR 109 Cb 0.52 -2.01 0.21 0.00 -2.10 0.00 0.00 70.33 66.95 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 0.73 -2.81 -2.31 -0.78 -0.04 -1.26 -4.86 135.00 123.67 2a3j n PRO 110 Ca 0.30 -1.46 -0.35 0.00 -0.04 0.00 0.00 63.50 61.94 2a3j n PRO 110 Cb 0.40 -1.37 0.02 0.00 -0.04 0.00 0.00 33.50 32.51 2a3j n PRO 110 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2a3j n GLN 111 N -4.31 3.48 0.26 0.54 6.02 -1.26 -4.76 117.38 117.35 2a3j n GLN 111 Ca 0.13 -4.14 0.14 0.00 -0.01 0.00 0.00 57.00 53.12 2a3j n GLN 111 Cb 0.49 -2.30 0.84 0.00 1.02 0.00 0.00 30.24 30.29 2a3j n GLN 111 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2a3j h SER 112 N 3.10 0.00 -0.08 1.08 0.87 -2.02 -0.71 113.55 115.79 2a3j h SER 112 Ca 0.44 0.00 0.02 0.00 -1.23 0.00 0.00 61.79 61.03 2a3j h SER 112 Cb 0.37 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.32 2a3j h SER 112 CO 1.17 0.00 0.08 0.06 -0.53 0.00 0.00 176.83 177.61 2a3j h GLN 113 N 0.00 0.00 -6.49 2.24 3.07 -2.03 -3.45 115.11 108.46 2a3j h GLN 113 Ca 0.03 0.00 -0.48 0.00 0.09 0.00 0.00 58.65 58.29 2a3j h GLN 113 Cb 0.15 0.00 -0.20 0.00 0.08 0.00 0.00 27.48 27.51 2a3j h GLN 113 CO -0.00 0.00 -0.73 1.33 0.09 0.00 0.00 178.83 179.52 2a3j n VAL 114 N -3.93 -0.54 0.06 1.86 0.24 -0.28 -4.79 118.33 110.96 2a3j n VAL 114 Ca -0.01 -0.27 -0.18 0.00 -2.04 0.00 0.00 64.34 61.84 2a3j n VAL 114 Cb 0.18 -0.65 -0.09 0.00 -1.47 0.00 0.00 33.84 31.81 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 1.09 0.20 -0.53 2.33 0.00 -1.88 -3.27 119.26 117.20 2a3j h ALA 115 Ca -0.49 -0.71 -0.02 0.00 0.00 0.00 0.00 54.91 53.69 2a3j h ALA 115 Cb 1.07 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 2a3j h ALA 115 CO 0.58 0.74 0.27 1.49 0.00 0.00 0.00 179.25 182.33 2a3j h GLU 116 N 0.32 0.76 0.00 0.00 4.81 -1.97 -3.56 114.58 114.94 2a3j h GLU 116 Ca -0.12 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.01 2a3j h GLU 116 Cb 1.68 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.92 2a3j h GLU 116 CO 0.19 0.62 0.00 -3.47 -0.73 0.00 0.00 179.01 175.62