#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 -0.38 -0.78 0.04 -1.26 -4.95 135.00 131.24 2a3j s PRO 23 Ca 0.00 1.45 -0.28 0.00 0.04 0.00 0.00 61.00 62.21 2a3j s PRO 23 Cb 0.00 -4.10 -0.01 0.00 0.04 0.00 0.00 34.50 30.43 2a3j s PRO 23 CO 0.00 -1.57 1.72 -1.25 0.04 0.00 0.00 177.00 175.93 2a3j s PRO 24 N 5.13 3.32 0.00 0.56 0.04 -1.26 -4.99 135.00 137.81 2a3j s PRO 24 Ca 0.74 1.24 0.06 0.00 0.04 0.00 0.00 61.00 63.08 2a3j s PRO 24 Cb -0.22 -4.18 -0.03 0.00 0.04 0.00 0.00 34.50 30.12 2a3j s PRO 24 CO 0.32 -1.87 -0.19 -3.38 0.04 0.00 0.00 177.00 171.91 2a3j s HIS 25 N 6.76 2.53 -0.27 0.56 -3.43 -1.26 -5.04 115.29 115.14 2a3j s HIS 25 Ca 0.74 -0.28 -0.11 0.00 -0.80 0.00 0.00 55.06 54.62 2a3j s HIS 25 Cb -0.19 -1.52 -0.14 0.00 -1.43 0.00 0.00 32.58 29.30 2a3j s HIS 25 CO 0.32 0.16 -0.26 0.25 -2.00 0.00 0.00 174.74 173.21 2a3j n THR 26 N 1.99 1.53 -4.08 -5.38 -2.24 -1.26 -5.04 114.28 99.80 2a3j n THR 26 Ca -0.16 -0.41 -0.08 0.00 -2.27 0.00 0.00 64.05 61.13 2a3j n THR 26 Cb 0.52 -1.79 -0.10 0.00 -2.10 0.00 0.00 70.33 66.86 2a3j n THR 26 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 2a3j s GLU 27 N -2.50 0.58 0.11 -0.78 -1.05 -1.26 -5.17 118.70 108.63 2a3j s GLU 27 Ca -0.37 -1.09 -0.02 0.00 -0.15 0.00 0.00 54.97 53.34 2a3j s GLU 27 Cb 0.13 0.11 0.03 0.00 -0.44 0.00 0.00 34.13 33.95 2a3j s GLU 27 CO 0.53 -0.08 0.10 -0.35 0.95 0.00 0.00 175.26 176.42 2a3j n PRO 28 N 0.45 -1.22 -3.19 -4.83 -0.04 -1.26 -5.10 135.00 119.80 2a3j n PRO 28 Ca -0.16 -0.16 0.04 0.00 -0.04 0.00 0.00 63.50 63.17 2a3j n PRO 28 Cb 0.59 -0.15 -0.04 0.00 -0.04 0.00 0.00 33.50 33.86 2a3j n PRO 28 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2a3j s SER 29 N -1.79 -0.08 -0.33 3.54 1.04 -1.26 -4.94 113.70 109.88 2a3j s SER 29 Ca 0.07 0.10 0.09 0.00 0.48 0.00 0.00 55.95 56.69 2a3j s SER 29 Cb -0.01 1.09 0.72 0.00 0.10 0.00 0.00 66.02 67.92 2a3j s SER 29 CO 0.05 -0.01 1.79 0.00 0.98 0.00 0.00 173.24 176.05 2a3j n GLN 30 N 4.54 3.44 -3.83 4.02 6.02 -1.26 -1.99 117.38 128.31 2a3j n GLN 30 Ca -0.07 -3.08 -0.12 0.00 -0.01 0.00 0.00 57.00 53.72 2a3j n GLN 30 Cb 0.56 -2.18 -0.10 0.00 1.02 0.00 0.00 30.24 29.53 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 -3.04 0.06 -0.02 5.09 -7.23 -1.26 -1.71 120.40 112.29 2a3j s VAL 31 Ca 0.55 -0.47 0.04 0.00 -1.81 0.00 0.00 61.98 60.28 2a3j s VAL 31 Cb 0.44 -0.44 -0.01 0.00 0.56 0.00 0.00 36.38 36.93 2a3j s VAL 31 CO 0.12 -0.26 -0.14 0.68 -0.31 0.00 0.00 175.10 175.20 2a3j s VAL 32 N -1.00 1.12 -0.18 1.32 -7.23 -0.98 -2.81 120.40 110.64 2a3j s VAL 32 Ca -0.11 -0.59 -0.07 0.00 -1.81 0.00 0.00 61.98 59.41 2a3j s VAL 32 Cb -0.06 -0.94 -0.04 0.00 0.56 0.00 0.00 36.38 35.90 2a3j s VAL 32 CO 0.02 0.32 0.05 -0.22 -0.31 0.00 0.00 175.10 174.95 2a3j s LEU 33 N -0.20 3.70 0.13 1.32 2.96 0.25 -0.84 118.68 125.99 2a3j s LEU 33 Ca 0.03 0.03 0.11 0.00 -0.22 0.00 0.00 54.13 54.08 2a3j s LEU 33 Cb -0.07 -1.93 -0.04 0.00 0.50 0.00 0.00 46.19 44.65 2a3j s LEU 33 CO -0.00 0.16 -0.27 0.27 -1.32 0.00 0.00 176.35 175.20 2a3j s ILE 34 N 0.44 2.29 0.17 6.68 -0.00 0.26 -2.56 121.20 128.48 2a3j s ILE 34 Ca 0.02 -1.75 0.02 0.00 -0.00 0.00 0.00 60.65 58.94 2a3j s ILE 34 Cb -0.13 -2.01 -0.01 0.00 -0.00 0.00 0.00 42.46 40.31 2a3j s ILE 34 CO 0.01 0.09 0.19 0.35 -0.00 0.00 0.00 174.94 175.58 2a3j n THR 35 N 0.91 0.00 -1.82 8.37 -2.24 -1.25 -1.49 114.28 116.75 2a3j n THR 35 Ca -0.18 -1.08 -0.17 0.00 -2.27 0.00 0.00 64.05 60.35 2a3j n THR 35 Cb 0.53 0.59 -0.05 0.00 -2.10 0.00 0.00 70.33 69.30 2a3j n THR 35 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2a3j n ASN 36 N -2.12 -5.04 -4.76 3.42 5.03 -1.21 -4.10 115.26 106.49 2a3j n ASN 36 Ca 0.02 0.25 -0.39 0.00 0.87 0.00 0.00 54.58 55.33 2a3j n ASN 36 Cb 0.30 -4.07 -0.05 0.00 -1.02 0.00 0.00 39.78 34.94 2a3j n ASN 36 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.26 175.70 2a3j s ILE 37 N -2.72 4.78 -0.22 2.41 -4.36 -1.22 -4.83 121.20 115.04 2a3j s ILE 37 Ca 0.00 1.42 -0.29 0.00 -0.26 0.00 0.00 60.65 61.52 2a3j s ILE 37 Cb 0.00 -4.01 -0.03 0.00 1.25 0.00 0.00 42.46 39.67 2a3j s ILE 37 CO 0.00 0.42 1.77 0.21 0.24 0.00 0.00 174.94 177.58 2a3j s ASN 38 N -0.31 6.15 0.03 4.36 3.84 -1.26 -4.59 114.94 123.16 2a3j s ASN 38 Ca 0.34 1.67 0.15 0.00 0.21 0.00 0.00 52.86 55.23 2a3j s ASN 38 Cb -0.20 -2.53 0.65 0.00 -0.55 0.00 0.00 41.25 38.62 2a3j s ASN 38 CO 0.20 -1.44 1.48 -0.81 -2.79 0.00 0.00 177.10 173.75 2a3j n PRO 39 N 7.97 0.02 -0.03 0.43 -0.04 -1.26 -3.18 135.00 138.91 2a3j n PRO 39 Ca 0.21 0.27 0.24 0.00 -0.04 0.00 0.00 63.50 64.18 2a3j n PRO 39 Cb 0.45 -1.54 0.72 0.00 -0.04 0.00 0.00 33.50 33.09 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 -5.45 0.54 5.08 -1.95 -3.39 114.58 109.41 2a3j h GLU 40 Ca 0.00 0.00 -0.63 0.00 -1.00 0.00 0.00 59.36 57.73 2a3j h GLU 40 Cb 0.26 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.40 2a3j h GLU 40 CO 0.00 0.00 -0.50 0.54 -1.00 0.00 0.00 179.01 178.05 2a3j s VAL 41 N -4.78 5.29 0.51 3.13 0.11 -1.19 -5.09 120.40 118.38 2a3j s VAL 41 Ca -0.05 0.14 -0.21 0.00 -2.93 0.00 0.00 61.98 58.93 2a3j s VAL 41 Cb 0.18 -3.36 -0.07 0.00 -1.53 0.00 0.00 36.38 31.61 2a3j s VAL 41 CO 0.65 0.52 1.14 -2.16 -3.33 0.00 0.00 175.10 171.92 2a3j s PRO 42 N -0.24 3.53 0.43 1.54 0.04 -1.26 -4.65 135.00 134.40 2a3j s PRO 42 Ca 0.10 1.68 0.24 0.00 0.04 0.00 0.00 61.00 63.07 2a3j s PRO 42 Cb -0.12 -2.18 1.25 0.00 0.04 0.00 0.00 34.50 33.50 2a3j s PRO 42 CO 0.01 -0.72 1.74 -0.22 0.04 0.00 0.00 177.00 177.85 2a3j h LYS 43 N 1.57 0.25 -0.21 4.56 3.64 -1.93 0.38 116.57 124.83 2a3j h LYS 43 Ca -0.50 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 58.92 2a3j h LYS 43 Cb 1.26 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 32.97 2a3j h LYS 43 CO 0.58 0.17 -0.13 1.49 -2.27 0.00 0.00 179.45 179.29 2a3j h GLU 44 N 0.26 -0.11 0.07 1.90 4.81 -1.99 0.28 114.58 119.79 2a3j h GLU 44 Ca 0.65 0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.77 2a3j h GLU 44 Cb 1.89 0.03 0.00 0.00 0.63 0.00 0.00 28.75 31.30 2a3j h GLU 44 CO -0.28 -0.08 -0.56 0.87 -0.73 0.00 0.00 179.01 178.23 2a3j h LYS 45 N -0.12 0.14 0.15 1.92 6.56 -1.23 -3.19 116.57 120.80 2a3j h LYS 45 Ca 0.12 -0.24 0.01 0.00 -1.06 0.00 0.00 60.65 59.49 2a3j h LYS 45 Cb 0.30 0.09 -0.05 0.00 -0.57 0.00 0.00 32.23 32.00 2a3j h LYS 45 CO -0.29 1.11 -0.49 1.25 -2.06 0.00 0.00 179.45 178.98 2a3j h LEU 46 N -0.69 -1.45 -0.68 2.94 6.46 -0.32 -1.98 115.31 119.59 2a3j h LEU 46 Ca -0.12 0.15 0.14 0.00 -0.12 0.00 0.00 57.88 57.93 2a3j h LEU 46 Cb 1.35 0.53 -0.10 0.00 -0.73 0.00 0.00 40.66 41.71 2a3j h LEU 46 CO 0.04 -0.54 0.16 -0.61 -0.62 0.00 0.00 178.44 176.87 2a3j h GLN 47 N -0.74 0.27 -1.00 1.25 4.15 -0.61 0.89 115.11 119.31 2a3j h GLN 47 Ca 0.00 -0.02 0.18 0.00 0.77 0.00 0.00 58.65 59.59 2a3j h GLN 47 Cb 0.74 -0.06 -0.10 0.00 0.21 0.00 0.00 27.48 28.27 2a3j h GLN 47 CO -0.26 0.18 0.62 0.00 -1.93 0.00 0.00 178.83 177.43 2a3j h ALA 48 N 1.55 1.68 -0.08 3.38 0.00 -1.37 -0.69 119.26 123.74 2a3j h ALA 48 Ca 0.37 0.07 -0.09 0.00 0.00 0.00 0.00 54.91 55.26 2a3j h ALA 48 Cb 0.59 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2a3j h ALA 48 CO -0.46 -0.04 -0.31 -0.07 0.00 0.00 0.00 179.25 178.37 2a3j h LEU 49 N 0.77 0.41 -1.50 0.00 -0.00 -0.26 -2.64 115.31 112.10 2a3j h LEU 49 Ca 0.57 -0.63 0.13 0.00 -0.00 0.00 0.00 57.88 57.95 2a3j h LEU 49 Cb 0.87 -0.12 -0.05 0.00 -0.00 0.00 0.00 40.66 41.36 2a3j h LEU 49 CO -0.36 0.97 0.51 -0.07 -0.00 0.00 0.00 178.44 179.48 2a3j h LEU 50 N -0.13 0.48 -0.10 1.67 3.38 -0.15 -1.50 115.31 118.96 2a3j h LEU 50 Ca -0.02 0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.85 2a3j h LEU 50 Cb 0.94 -0.07 0.01 0.00 0.09 0.00 0.00 40.66 41.63 2a3j h LEU 50 CO 0.06 0.26 -0.43 0.22 0.09 0.00 0.00 178.44 178.64 2a3j h TYR 51 N 0.51 0.62 -0.31 1.13 5.03 -1.15 -1.58 116.97 121.22 2a3j h TYR 51 Ca 0.37 -0.27 0.07 0.00 2.58 0.00 0.00 58.73 61.48 2a3j h TYR 51 Cb 0.72 -0.10 -0.07 0.00 1.55 0.00 0.00 36.73 38.83 2a3j h TYR 51 CO -0.00 1.03 -0.18 0.00 -1.32 0.00 0.00 178.16 177.69 2a3j h ALA 52 N 0.47 0.05 -0.37 1.82 0.00 -0.91 0.21 119.26 120.54 2a3j h ALA 52 Ca -0.03 0.11 -0.16 0.00 0.00 0.00 0.00 54.91 54.84 2a3j h ALA 52 Cb 1.07 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 2a3j h ALA 52 CO 0.09 -0.57 -0.39 -0.07 0.00 0.00 0.00 179.25 178.32 2a3j h LEU 53 N -0.13 0.96 0.23 0.00 3.38 -1.50 -2.95 115.31 115.30 2a3j h LEU 53 Ca 0.16 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.70 2a3j h LEU 53 Cb 0.38 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 2a3j h LEU 53 CO -0.40 1.22 -0.22 0.00 0.09 0.00 0.00 178.44 179.14 2a3j h ALA 54 N 0.82 -0.45 -0.61 1.53 0.00 -0.52 -2.12 119.26 117.90 2a3j h ALA 54 Ca 0.06 -0.07 0.11 0.00 0.00 0.00 0.00 54.91 55.01 2a3j h ALA 54 Cb 0.97 0.31 -0.04 0.00 0.00 0.00 0.00 17.79 19.03 2a3j h ALA 54 CO 0.09 -0.78 0.41 1.03 0.00 0.00 0.00 179.25 180.00 2a3j h SER 55 N -0.48 0.33 -0.18 0.00 0.87 -0.60 0.11 113.55 113.61 2a3j h SER 55 Ca -0.01 0.01 0.05 0.00 -1.23 0.00 0.00 61.79 60.62 2a3j h SER 55 Cb 0.44 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.33 2a3j h SER 55 CO -0.04 0.20 0.22 -1.28 -0.53 0.00 0.00 176.83 175.40 2a3j h SER 56 N 0.37 0.00 0.00 6.23 0.87 -1.19 -3.33 113.55 116.50 2a3j h SER 56 Ca 0.29 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.85 2a3j h SER 56 Cb 0.63 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.59 2a3j h SER 56 CO -0.08 0.00 0.00 0.00 -0.53 0.00 0.00 176.83 176.22 2a3j n GLN 57 N -3.68 0.00 -4.55 2.24 1.13 0.21 -5.11 117.38 107.62 2a3j n GLN 57 Ca 0.02 0.00 -0.25 0.00 -1.94 0.00 0.00 57.00 54.82 2a3j n GLN 57 Cb 0.34 -0.24 -0.10 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 -2.77 2.42 0.28 1.08 0.00 -0.24 -4.98 107.32 103.12 2a3j s GLY 58 Ca 0.00 -1.67 -0.29 0.00 0.00 0.00 0.00 44.72 42.76 2a3j s GLY 58 CO 0.00 -1.94 1.01 0.99 0.00 0.00 0.00 173.10 173.16 2a3j s ASP 59 N -3.62 7.39 -0.16 1.64 1.01 -1.26 -3.31 116.67 118.36 2a3j s ASP 59 Ca 0.29 2.06 -0.07 0.00 0.71 0.00 0.00 52.55 55.54 2a3j s ASP 59 Cb 0.07 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 41.35 2a3j s ASP 59 CO 0.14 -0.04 0.08 -0.63 0.21 0.00 0.00 175.17 174.92 2a3j s ILE 60 N -1.28 4.93 -0.14 0.77 1.09 -1.26 -1.74 121.20 123.56 2a3j s ILE 60 Ca 0.45 0.01 0.18 0.00 -1.10 0.00 0.00 60.65 60.19 2a3j s ILE 60 Cb -0.27 -3.19 -0.25 0.00 -1.06 0.00 0.00 42.46 37.69 2a3j s ILE 60 CO 0.34 0.51 0.29 0.18 -0.10 0.00 0.00 174.94 176.16 2a3j n LEU 61 N 3.01 0.18 0.00 2.97 4.77 0.25 -4.93 117.00 123.25 2a3j n LEU 61 Ca -0.17 0.08 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 2a3j n LEU 61 Cb 0.53 0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.94 2a3j n LEU 61 CO 0.34 0.35 0.00 -0.67 -1.33 0.00 0.00 177.39 176.08 2a3j n ASP 62 N -2.70 0.00 -4.41 -1.43 -0.08 -1.21 -5.03 116.55 101.69 2a3j n ASP 62 Ca -0.23 0.00 -0.40 0.00 -1.51 0.00 0.00 54.79 52.65 2a3j n ASP 62 Cb 1.00 0.00 -0.11 0.00 2.34 0.00 0.00 41.12 44.35 2a3j n ASP 62 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 2a3j s ILE 63 N 0.00 4.59 0.11 5.18 1.01 -1.26 -1.26 121.20 129.57 2a3j s ILE 63 Ca 0.00 -0.65 -0.06 0.00 0.00 0.00 0.00 60.65 59.94 2a3j s ILE 63 Cb 0.00 -3.46 -0.06 0.00 0.01 0.00 0.00 42.46 38.95 2a3j s ILE 63 CO 0.00 -0.09 0.37 -0.69 0.00 0.00 0.00 174.94 174.53 2a3j s VAL 64 N 1.58 5.16 0.00 2.92 1.01 0.13 -4.96 120.40 126.25 2a3j s VAL 64 Ca 0.03 0.15 -0.01 0.00 0.00 0.00 0.00 61.98 62.16 2a3j s VAL 64 Cb -0.18 -3.62 -0.01 0.00 0.00 0.00 0.00 36.38 32.57 2a3j s VAL 64 CO 0.06 0.13 0.01 -0.69 0.00 0.00 0.00 175.10 174.62 2a3j s VAL 65 N -1.56 0.05 0.00 2.92 1.01 -1.26 -0.28 120.40 121.29 2a3j s VAL 65 Ca 0.38 -0.43 0.00 0.00 0.00 0.00 0.00 61.98 61.92 2a3j s VAL 65 Cb -0.13 -0.17 0.00 0.00 0.00 0.00 0.00 36.38 36.09 2a3j s VAL 65 CO 0.22 -0.24 0.00 -0.67 0.00 0.00 0.00 175.10 174.41 2a3j n ASP 66 N 2.33 -0.14 -1.33 3.32 2.03 -0.29 -4.97 116.55 117.51 2a3j n ASP 66 Ca -0.18 -0.34 0.11 0.00 0.52 0.00 0.00 54.79 54.89 2a3j n ASP 66 Cb 0.57 0.00 0.31 0.00 -0.72 0.00 0.00 41.12 41.29 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 4.03 -3.10 -2.67 -0.00 -1.26 -4.93 117.00 109.07 2a3j n LEU 67 Ca 0.00 -2.11 -0.14 0.00 -0.00 0.00 0.00 56.01 53.76 2a3j n LEU 67 Cb 0.00 -0.48 0.01 0.00 -0.00 0.00 0.00 43.42 42.95 2a3j n LEU 67 CO 0.00 0.92 -0.28 -1.20 -0.00 0.00 0.00 177.39 176.83 2a3j n SER 68 N 1.40 -6.93 -0.79 1.45 7.64 -1.26 -4.79 113.62 110.33 2a3j n SER 68 Ca 0.23 0.48 -0.00 0.00 1.01 0.00 0.00 58.87 60.59 2a3j n SER 68 Cb 0.66 -3.42 0.02 0.00 -1.01 0.00 0.00 64.21 60.46 2a3j n SER 68 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2a3j n ASP 69 N 0.29 2.05 0.00 6.43 2.03 -1.26 -4.81 116.55 121.28 2a3j n ASP 69 Ca 0.01 -2.06 0.00 0.00 0.52 0.00 0.00 54.79 53.25 2a3j n ASP 69 Cb 0.44 -0.51 0.00 0.00 -0.72 0.00 0.00 41.12 40.33 2a3j n ASP 69 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2a3j n ASP 70 N 0.20 0.00 0.07 1.67 -0.08 -1.26 -3.81 116.55 113.34 2a3j n ASP 70 Ca 0.02 0.00 0.11 0.00 -1.51 0.00 0.00 54.79 53.42 2a3j n ASP 70 Cb 0.42 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.82 2a3j n ASP 70 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 2a3j n ASN 71 N 2.90 0.56 0.00 1.67 4.13 -1.26 -4.61 115.26 118.66 2a3j n ASN 71 Ca 0.00 0.22 0.00 0.00 1.68 0.00 0.00 54.58 56.48 2a3j n ASN 71 Cb 0.00 0.97 0.00 0.00 -1.54 0.00 0.00 39.78 39.21 2a3j n ASN 71 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 2a3j n SER 72 N -2.53 0.00 -3.01 6.41 7.64 -1.25 -4.99 113.62 115.89 2a3j n SER 72 Ca -0.01 0.23 -0.00 0.00 1.01 0.00 0.00 58.87 60.09 2a3j n SER 72 Cb 0.56 -0.26 -0.00 0.00 -1.01 0.00 0.00 64.21 63.50 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 2.21 -1.68 3.13 0.23 0.00 -1.26 -4.41 105.19 103.41 2a3j n GLY 73 Ca 0.00 0.19 -0.09 0.00 0.00 0.00 0.00 46.02 46.12 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 -1.23 0.72 0.32 1.61 -2.85 -1.26 -3.28 119.74 113.76 2a3j s LYS 74 Ca -0.00 -1.28 -0.19 0.00 -1.00 0.00 0.00 55.97 53.50 2a3j s LYS 74 Cb 0.00 0.05 0.03 0.00 -2.06 0.00 0.00 37.83 35.85 2a3j s LYS 74 CO 0.30 -0.08 0.75 0.00 0.10 0.00 0.00 175.35 176.42 2a3j s ALA 75 N -3.81 -1.05 -0.09 0.59 0.00 -0.56 -1.14 121.76 115.70 2a3j s ALA 75 Ca 0.10 -0.47 -0.04 0.00 0.00 0.00 0.00 51.96 51.55 2a3j s ALA 75 Cb 0.07 0.78 0.05 0.00 0.00 0.00 0.00 23.12 24.02 2a3j s ALA 75 CO -0.07 -1.02 0.20 0.71 0.00 0.00 0.00 175.76 175.57 2a3j s TYR 76 N -3.32 -0.25 -0.40 0.00 1.51 0.62 -0.57 117.35 114.93 2a3j s TYR 76 Ca 0.13 0.66 -0.09 0.00 -1.01 0.00 0.00 57.07 56.77 2a3j s TYR 76 Cb -0.06 -0.05 0.07 0.00 -0.11 0.00 0.00 41.96 41.81 2a3j s TYR 76 CO 0.09 -0.23 0.23 0.42 -1.11 0.00 0.00 175.55 174.95 2a3j s ILE 77 N 1.49 4.15 -0.12 2.71 1.01 -0.02 0.22 121.20 130.64 2a3j s ILE 77 Ca -0.06 -1.34 -0.29 0.00 0.00 0.00 0.00 60.65 58.96 2a3j s ILE 77 Cb -0.11 -3.50 -0.01 0.00 0.01 0.00 0.00 42.46 38.84 2a3j s ILE 77 CO -0.07 -0.44 0.97 -0.69 0.00 0.00 0.00 174.94 174.71 2a3j s VAL 78 N 1.42 4.81 0.55 2.92 1.01 -0.39 -2.31 120.40 128.41 2a3j s VAL 78 Ca 0.02 1.95 0.05 0.00 0.00 0.00 0.00 61.98 64.01 2a3j s VAL 78 Cb -0.22 -4.27 0.04 0.00 0.00 0.00 0.00 36.38 31.93 2a3j s VAL 78 CO 0.02 0.01 0.41 -0.36 0.00 0.00 0.00 175.10 175.18 2a3j s PHE 79 N 2.03 1.56 0.17 5.22 0.08 -0.69 -0.59 117.98 125.76 2a3j s PHE 79 Ca 0.46 -0.86 -0.12 0.00 0.12 0.00 0.00 56.93 56.53 2a3j s PHE 79 Cb -0.18 -1.90 0.07 0.00 -0.57 0.00 0.00 43.02 40.44 2a3j s PHE 79 CO 0.17 -0.50 1.72 0.00 -0.10 0.00 0.00 175.22 176.51 2a3j h ALA 80 N 0.72 0.75 -2.55 5.36 0.00 -1.61 -3.42 119.26 118.52 2a3j h ALA 80 Ca -0.36 -0.17 0.13 0.00 0.00 0.00 0.00 54.91 54.51 2a3j h ALA 80 Cb 1.31 -0.23 -0.08 0.00 0.00 0.00 0.00 17.79 18.79 2a3j h ALA 80 CO 0.57 0.37 0.40 0.99 0.00 0.00 0.00 179.25 181.58 2a3j s THR 81 N -5.55 0.00 0.54 0.00 2.01 -1.26 -4.92 115.64 106.47 2a3j s THR 81 Ca -0.13 -0.67 0.29 0.00 0.31 0.00 0.00 61.69 61.49 2a3j s THR 81 Cb 0.13 -1.87 0.45 0.00 0.01 0.00 0.00 72.50 71.22 2a3j s THR 81 CO 0.79 0.00 1.92 -0.61 -0.69 0.00 0.00 174.62 176.03 2a3j h GLN 82 N 2.00 0.00 0.10 4.92 -0.00 -1.74 -0.99 115.11 119.41 2a3j h GLN 82 Ca -0.23 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 -0.02 0.00 0.00 0.00 0.00 27.48 28.70 2a3j h GLN 82 CO 0.26 0.00 -0.18 0.93 0.00 0.00 0.00 178.83 179.83 2a3j h GLU 83 N 0.00 -0.34 -0.07 1.69 5.08 -1.95 0.16 114.58 119.14 2a3j h GLU 83 Ca 0.35 0.02 -0.10 0.00 -1.00 0.00 0.00 59.36 58.63 2a3j h GLU 83 Cb 1.44 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.77 2a3j h GLU 83 CO -0.00 -0.23 -0.33 0.77 -1.00 0.00 0.00 179.01 178.21 2a3j h SER 84 N -0.36 0.42 0.04 1.42 0.02 -1.65 -2.93 113.55 110.51 2a3j h SER 84 Ca 0.03 -0.64 0.03 0.00 -0.84 0.00 0.00 61.79 60.36 2a3j h SER 84 Cb 0.37 -0.12 -0.05 0.00 0.14 0.00 0.00 62.40 62.74 2a3j h SER 84 CO -0.10 1.00 -0.35 0.00 -1.14 0.00 0.00 176.83 176.24 2a3j h ALA 85 N 0.44 -0.54 -0.62 3.77 0.00 -1.15 -0.80 119.26 120.35 2a3j h ALA 85 Ca -0.02 -0.03 0.10 0.00 0.00 0.00 0.00 54.91 54.96 2a3j h ALA 85 Cb 0.98 0.60 -0.04 0.00 0.00 0.00 0.00 17.79 19.33 2a3j h ALA 85 CO 0.07 -0.87 0.42 0.37 0.00 0.00 0.00 179.25 179.23 2a3j h GLN 86 N -0.52 0.43 0.00 0.00 4.15 -0.77 0.10 115.11 118.49 2a3j h GLN 86 Ca 0.05 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.44 2a3j h GLN 86 Cb 0.59 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.19 2a3j h GLN 86 CO -0.26 0.28 -0.00 0.00 -1.93 0.00 0.00 178.83 176.93 2a3j h ALA 87 N 1.68 -0.00 -0.34 3.38 0.00 -1.00 -0.43 119.26 122.55 2a3j h ALA 87 Ca 0.29 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.97 2a3j h ALA 87 Cb 0.55 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2a3j h ALA 87 CO -0.08 -0.40 -0.29 0.35 0.00 0.00 0.00 179.25 178.83 2a3j h PHE 88 N -0.21 0.83 -0.65 0.00 3.04 -0.51 0.26 116.94 119.71 2a3j h PHE 88 Ca -0.00 -0.21 -0.06 0.00 3.98 0.00 0.00 57.97 61.68 2a3j h PHE 88 Cb 0.21 -0.19 -0.03 0.00 2.56 0.00 0.00 35.95 38.50 2a3j h PHE 88 CO -0.01 0.93 0.18 0.28 -2.02 0.00 0.00 178.31 177.67 2a3j h VAL 89 N 0.62 1.25 0.00 1.41 2.07 -0.74 -1.34 116.25 119.52 2a3j h VAL 89 Ca 0.07 -0.91 -0.16 0.00 0.82 0.00 0.00 66.70 66.53 2a3j h VAL 89 Cb 0.80 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 2a3j h VAL 89 CO 0.07 0.35 -0.88 1.05 0.02 0.00 0.00 177.57 178.18 2a3j h GLU 90 N 0.96 0.00 0.00 1.57 4.11 -0.97 0.25 114.58 120.50 2a3j h GLU 90 Ca 0.21 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.62 2a3j h GLU 90 Cb 0.34 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 2a3j h GLU 90 CO -0.00 0.62 -0.07 0.00 0.07 0.00 0.00 179.01 179.63 2a3j h ALA 91 N 1.30 0.98 0.00 1.06 0.00 -0.27 -3.20 119.26 119.13 2a3j h ALA 91 Ca -0.05 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2a3j h ALA 91 Cb 1.58 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.36 2a3j h ALA 91 CO 0.08 0.08 0.00 1.19 0.00 0.00 0.00 179.25 180.60 2a3j n PHE 92 N -3.15 0.00 -0.32 0.00 3.01 -0.52 -4.76 117.46 111.72 2a3j n PHE 92 Ca 0.02 -0.21 0.29 0.00 1.01 0.00 0.00 57.45 58.55 2a3j n PHE 92 Cb 0.43 -0.02 0.63 0.00 -0.01 0.00 0.00 39.48 40.50 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 0.19 -2.06 -1.08 4.15 -0.49 -2.82 115.11 113.01 2a3j h GLN 93 Ca 0.00 -0.01 -0.54 0.00 0.77 0.00 0.00 58.65 58.87 2a3j h GLN 93 Cb 0.42 -0.04 -0.40 0.00 0.21 0.00 0.00 27.48 27.66 2a3j h GLN 93 CO 0.00 0.13 -1.02 0.41 -1.93 0.00 0.00 178.83 176.41 2a3j n GLY 94 N -1.61 3.76 2.93 2.39 0.00 -1.26 -4.77 105.19 106.63 2a3j n GLY 94 Ca 0.26 -1.92 -0.17 0.00 0.00 0.00 0.00 46.02 44.18 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 -2.13 0.53 -0.51 1.61 6.14 -1.07 -5.10 117.35 116.82 2a3j s TYR 95 Ca 0.39 -0.11 -0.27 0.00 0.64 0.00 0.00 57.07 57.73 2a3j s TYR 95 Cb 0.25 -0.41 -0.02 0.00 0.42 0.00 0.00 41.96 42.21 2a3j s TYR 95 CO -0.09 -0.06 1.80 -1.25 0.64 0.00 0.00 175.55 176.59 2a3j s PRO 96 N 0.22 2.93 0.04 4.97 0.04 -1.26 -4.38 135.00 137.57 2a3j s PRO 96 Ca -0.02 0.89 0.05 0.00 0.04 0.00 0.00 61.00 61.96 2a3j s PRO 96 Cb -0.06 -4.30 -0.02 0.00 0.04 0.00 0.00 34.50 30.16 2a3j s PRO 96 CO -0.00 -2.36 -0.15 0.12 0.04 0.00 0.00 177.00 174.66 2a3j s PHE 97 N 8.07 1.26 -1.78 0.56 5.36 -1.24 -4.71 117.98 125.50 2a3j s PHE 97 Ca 0.70 -0.37 0.00 0.00 -0.96 0.00 0.00 56.93 56.31 2a3j s PHE 97 Cb -0.16 -0.74 0.00 0.00 -0.34 0.00 0.00 43.02 41.78 2a3j s PHE 97 CO 0.26 0.04 0.00 1.04 -1.46 0.00 0.00 175.22 175.10 2a3j n GLN 98 N 1.81 -1.58 0.00 10.12 6.02 -1.26 -2.82 117.38 129.67 2a3j n GLN 98 Ca -0.18 1.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.80 2a3j n GLN 98 Cb 0.55 -5.45 0.00 0.00 1.02 0.00 0.00 30.24 26.35 2a3j n GLN 98 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2a3j n GLY 99 N -0.57 2.99 0.00 1.08 0.00 -1.26 -4.68 105.19 102.75 2a3j n GLY 99 Ca -0.19 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.24 2a3j n GLY 99 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2a3j n ASN 100 N 0.00 0.00 -4.57 1.61 4.05 -1.13 -4.99 115.26 110.23 2a3j n ASN 100 Ca 0.00 0.00 -0.40 0.00 0.45 0.00 0.00 54.58 54.63 2a3j n ASN 100 Cb 0.00 0.00 -0.03 0.00 1.23 0.00 0.00 39.78 40.98 2a3j n ASN 100 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 2a3j s PRO 101 N 0.00 2.96 -0.11 1.20 0.04 -1.26 -3.63 135.00 134.20 2a3j s PRO 101 Ca 0.00 0.92 -0.00 0.00 0.04 0.00 0.00 61.00 61.96 2a3j s PRO 101 Cb 0.00 -4.29 0.02 0.00 0.04 0.00 0.00 34.50 30.28 2a3j s PRO 101 CO 0.00 -2.32 -0.08 -1.17 0.04 0.00 0.00 177.00 173.47 2a3j s LEU 102 N 7.97 1.25 -0.06 -3.56 2.96 -1.26 -4.76 118.68 121.22 2a3j s LEU 102 Ca 0.71 -0.31 0.05 0.00 -0.22 0.00 0.00 54.13 54.36 2a3j s LEU 102 Cb -0.16 -0.85 -0.01 0.00 0.50 0.00 0.00 46.19 45.67 2a3j s LEU 102 CO 0.26 -0.10 -0.22 0.54 -1.32 0.00 0.00 176.35 175.52 2a3j s VAL 103 N 1.58 2.36 -0.04 1.68 0.11 -1.26 -4.72 120.40 120.12 2a3j s VAL 103 Ca 0.03 -0.96 -0.01 0.00 -2.93 0.00 0.00 61.98 58.11 2a3j s VAL 103 Cb -0.13 -1.89 0.03 0.00 -1.53 0.00 0.00 36.38 32.86 2a3j s VAL 103 CO -0.07 0.57 0.02 0.27 -3.33 0.00 0.00 175.10 172.56 2a3j s ILE 104 N -0.23 0.07 0.26 7.04 -0.00 -1.26 -3.75 121.20 123.34 2a3j s ILE 104 Ca -0.01 0.21 -0.04 0.00 -0.00 0.00 0.00 60.65 60.82 2a3j s ILE 104 Cb -0.13 -0.23 -0.02 0.00 -0.00 0.00 0.00 42.46 42.08 2a3j s ILE 104 CO 0.03 0.16 0.33 0.42 -0.00 0.00 0.00 174.94 175.88 2a3j s THR 105 N 1.48 0.00 0.09 8.37 -4.23 -1.06 -4.90 115.64 115.39 2a3j s THR 105 Ca -0.04 -1.74 -0.01 0.00 -1.18 0.00 0.00 61.69 58.73 2a3j s THR 105 Cb -0.13 -2.45 0.02 0.00 1.34 0.00 0.00 72.50 71.28 2a3j s THR 105 CO -0.03 0.00 0.12 0.49 -0.54 0.00 0.00 174.62 174.67 2a3j n PHE 106 N -0.41 -3.73 -3.77 3.99 3.72 -1.26 -0.58 117.46 115.41 2a3j n PHE 106 Ca 0.01 -0.15 -0.09 0.00 -0.05 0.00 0.00 57.45 57.18 2a3j n PHE 106 Cb 0.63 -0.09 -0.01 0.00 -0.94 0.00 0.00 39.48 39.07 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 -3.05 -1.22 -4.47 4.37 7.64 -1.12 -3.88 113.62 111.89 2a3j n SER 107 Ca 0.02 -2.25 -0.27 0.00 1.01 0.00 0.00 58.87 57.38 2a3j n SER 107 Cb 0.06 2.15 -0.11 0.00 -1.01 0.00 0.00 64.21 65.30 2a3j n SER 107 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 2a3j s GLU 108 N -2.36 1.68 -0.68 1.43 2.12 -1.26 -4.81 118.70 114.82 2a3j s GLU 108 Ca 0.17 -1.40 0.05 0.00 0.36 0.00 0.00 54.97 54.15 2a3j s GLU 108 Cb -0.02 -1.97 0.22 0.00 0.26 0.00 0.00 34.13 32.63 2a3j s GLU 108 CO 0.12 0.42 0.68 0.25 -0.54 0.00 0.00 175.26 176.19 2a3j n THR 109 N 0.34 2.21 -0.89 -1.70 -2.24 -1.26 -5.08 114.28 105.66 2a3j n THR 109 Ca -0.13 -5.12 -0.21 0.00 -2.27 0.00 0.00 64.05 56.32 2a3j n THR 109 Cb 0.55 -2.14 0.18 0.00 -2.10 0.00 0.00 70.33 66.82 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 1.27 -2.55 -2.01 -0.78 -0.04 -1.26 -4.18 135.00 125.45 2a3j n PRO 110 Ca 0.26 -1.25 -0.18 0.00 -0.04 0.00 0.00 63.50 62.30 2a3j n PRO 110 Cb 0.39 -1.17 -0.03 0.00 -0.04 0.00 0.00 33.50 32.64 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 -3.89 -1.33 -0.03 0.54 -0.06 -1.26 -4.87 117.38 106.47 2a3j n GLN 111 Ca 0.11 0.96 -0.15 0.00 -2.00 0.00 0.00 57.00 55.91 2a3j n GLN 111 Cb 0.42 -5.34 -0.14 0.00 -4.06 0.00 0.00 30.24 21.12 2a3j n GLN 111 CO 0.00 0.00 0.00 0.45 -0.20 0.00 0.00 177.06 177.31 2a3j n SER 112 N -1.15 1.42 0.11 1.69 2.88 -1.26 -4.08 113.62 113.23 2a3j n SER 112 Ca -0.20 0.22 0.18 0.00 -1.33 0.00 0.00 58.87 57.75 2a3j n SER 112 Cb 0.63 -0.31 0.75 0.00 -0.75 0.00 0.00 64.21 64.53 2a3j n SER 112 CO 0.00 0.00 0.00 0.06 -1.23 0.00 0.00 175.04 173.87 2a3j h GLN 113 N 0.03 0.00 -0.70 -1.46 3.07 -1.92 -0.53 115.11 113.60 2a3j h GLN 113 Ca -0.41 0.00 0.20 0.00 0.09 0.00 0.00 58.65 58.54 2a3j h GLN 113 Cb 2.04 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 29.57 2a3j h GLN 113 CO 0.06 0.00 0.53 -0.39 0.09 0.00 0.00 178.83 179.12 2a3j h VAL 114 N 0.00 0.57 -0.30 1.86 -1.51 -1.98 0.19 116.25 115.08 2a3j h VAL 114 Ca 0.16 0.00 0.05 0.00 -1.23 0.00 0.00 66.70 65.68 2a3j h VAL 114 Cb 0.76 0.62 -0.02 0.00 -2.13 0.00 0.00 31.29 30.52 2a3j h VAL 114 CO -0.00 0.00 0.21 0.00 -1.23 0.00 0.00 177.57 176.54 2a3j h ALA 115 N 1.59 2.06 -0.22 5.19 0.00 -1.36 -0.73 119.26 125.79 2a3j h ALA 115 Ca 0.33 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.21 2a3j h ALA 115 Cb 1.40 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 2a3j h ALA 115 CO -0.00 -0.12 0.04 1.49 0.00 0.00 0.00 179.25 180.65 2a3j h GLU 116 N 0.17 0.32 -0.02 0.00 4.81 -0.81 -3.54 114.58 115.52 2a3j h GLU 116 Ca 0.13 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 2a3j h GLU 116 Cb 0.31 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.63 2a3j h GLU 116 CO -0.02 0.31 0.00 -0.25 -0.73 0.00 0.00 179.01 178.32