#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 -0.15 -0.78 0.04 -1.26 -4.96 135.00 131.47 2a3j s PRO 23 Ca 0.00 1.46 -0.29 0.00 0.04 0.00 0.00 61.00 62.21 2a3j s PRO 23 Cb 0.00 -4.10 -0.03 0.00 0.04 0.00 0.00 34.50 30.40 2a3j s PRO 23 CO 0.00 -1.57 1.56 -1.25 0.04 0.00 0.00 177.00 175.78 2a3j s PRO 24 N 5.12 4.03 -0.20 0.56 0.04 -1.26 -5.00 135.00 138.29 2a3j s PRO 24 Ca 0.74 1.86 -0.07 0.00 0.04 0.00 0.00 61.00 63.57 2a3j s PRO 24 Cb -0.22 -3.96 -0.03 0.00 0.04 0.00 0.00 34.50 30.32 2a3j s PRO 24 CO 0.32 -1.00 0.05 -3.38 0.04 0.00 0.00 177.00 173.03 2a3j s HIS 25 N 4.40 3.15 0.16 0.56 -3.43 -1.26 -4.98 115.29 113.89 2a3j s HIS 25 Ca 0.69 -0.15 0.06 0.00 -0.80 0.00 0.00 55.06 54.85 2a3j s HIS 25 Cb -0.27 -2.12 -0.04 0.00 -1.43 0.00 0.00 32.58 28.72 2a3j s HIS 25 CO 0.26 -0.06 1.37 1.15 -2.00 0.00 0.00 174.74 175.46 2a3j h THR 26 N 5.16 1.59 -3.39 -5.38 2.02 -2.04 -3.46 112.91 107.40 2a3j h THR 26 Ca -0.36 -2.92 -0.39 0.00 0.77 0.00 0.00 66.41 63.52 2a3j h THR 26 Cb 1.18 2.61 -0.16 0.00 -1.74 0.00 0.00 68.15 70.03 2a3j h THR 26 CO 0.64 0.84 -0.74 -1.83 0.37 0.00 0.00 175.52 174.80 2a3j s GLU 27 N -3.03 1.08 1.20 6.66 1.03 -1.26 -5.16 118.70 119.23 2a3j s GLU 27 Ca -0.01 -1.37 -0.19 0.00 0.03 0.00 0.00 54.97 53.43 2a3j s GLU 27 Cb 0.10 -0.83 0.28 0.00 -0.80 0.00 0.00 34.13 32.89 2a3j s GLU 27 CO 0.81 0.14 1.11 -1.25 -1.33 0.00 0.00 175.26 174.74 2a3j s PRO 28 N -3.23 -1.20 -0.28 -4.83 0.04 -1.26 -5.00 135.00 119.24 2a3j s PRO 28 Ca 0.14 -0.05 0.02 0.00 0.04 0.00 0.00 61.00 61.14 2a3j s PRO 28 Cb -0.01 -1.60 0.17 0.00 0.04 0.00 0.00 34.50 33.10 2a3j s PRO 28 CO 0.03 -3.70 0.49 -1.12 0.04 0.00 0.00 177.00 172.74 2a3j s SER 29 N -3.88 -0.56 -0.17 6.66 0.01 -1.26 -4.40 113.70 110.10 2a3j s SER 29 Ca 0.71 0.12 0.10 0.00 1.31 0.00 0.00 55.95 58.19 2a3j s SER 29 Cb -0.10 1.58 0.59 0.00 0.21 0.00 0.00 66.02 68.30 2a3j s SER 29 CO 0.56 -0.31 1.40 0.00 0.41 0.00 0.00 173.24 175.30 2a3j n GLN 30 N 5.39 3.78 -4.01 12.44 6.02 -1.26 -3.21 117.38 136.53 2a3j n GLN 30 Ca 0.01 -2.27 -0.12 0.00 -0.01 0.00 0.00 57.00 54.61 2a3j n GLN 30 Cb 0.51 -2.04 -0.12 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 -2.24 0.26 -0.00 5.09 -7.23 -1.26 -0.67 120.40 114.34 2a3j s VAL 31 Ca 0.39 -0.66 0.07 0.00 -1.81 0.00 0.00 61.98 59.97 2a3j s VAL 31 Cb 0.30 -0.32 -0.02 0.00 0.56 0.00 0.00 36.38 36.90 2a3j s VAL 31 CO 0.12 -0.26 -0.21 0.68 -0.31 0.00 0.00 175.10 175.12 2a3j s VAL 32 N -0.91 1.69 -0.25 1.32 -7.23 -0.62 -2.69 120.40 111.71 2a3j s VAL 32 Ca -0.08 -0.97 -0.06 0.00 -1.81 0.00 0.00 61.98 59.06 2a3j s VAL 32 Cb -0.07 -1.41 -0.02 0.00 0.56 0.00 0.00 36.38 35.44 2a3j s VAL 32 CO -0.00 0.43 0.04 -0.22 -0.31 0.00 0.00 175.10 175.04 2a3j s LEU 33 N -0.63 3.33 0.06 1.32 2.96 0.68 -0.72 118.68 125.68 2a3j s LEU 33 Ca 0.08 -0.29 0.03 0.00 -0.22 0.00 0.00 54.13 53.73 2a3j s LEU 33 Cb -0.08 -1.87 -0.04 0.00 0.50 0.00 0.00 46.19 44.69 2a3j s LEU 33 CO -0.00 -0.04 0.03 0.27 -1.32 0.00 0.00 176.35 175.28 2a3j s ILE 34 N 1.57 4.24 0.15 6.68 -0.00 0.05 -2.94 121.20 130.95 2a3j s ILE 34 Ca 0.06 -0.79 0.01 0.00 -0.00 0.00 0.00 60.65 59.93 2a3j s ILE 34 Cb -0.15 -2.99 -0.00 0.00 -0.00 0.00 0.00 42.46 39.31 2a3j s ILE 34 CO 0.02 0.20 0.17 0.35 -0.00 0.00 0.00 174.94 175.68 2a3j n THR 35 N 0.79 0.00 -1.97 8.37 -2.24 -1.24 -1.51 114.28 116.47 2a3j n THR 35 Ca -0.11 -0.92 -0.15 0.00 -2.27 0.00 0.00 64.05 60.59 2a3j n THR 35 Cb 0.52 0.51 -0.03 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 -2.17 -4.66 -4.86 3.42 2.85 -1.23 -3.99 115.26 104.62 2a3j n ASN 36 Ca 0.02 0.13 -0.37 0.00 -0.11 0.00 0.00 54.58 54.25 2a3j n ASN 36 Cb 0.26 -3.68 -0.06 0.00 1.24 0.00 0.00 39.78 37.54 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 5.29 -0.16 -1.44 -4.36 -1.17 -4.79 121.20 111.89 2a3j s ILE 37 Ca 0.00 0.49 -0.28 0.00 -0.26 0.00 0.00 60.65 60.60 2a3j s ILE 37 Cb 0.00 -3.54 -0.01 0.00 1.25 0.00 0.00 42.46 40.16 2a3j s ILE 37 CO 0.00 0.59 0.94 0.21 0.24 0.00 0.00 174.94 176.92 2a3j s ASN 38 N -1.07 7.10 0.00 4.36 3.84 -1.26 -4.53 114.94 123.37 2a3j s ASN 38 Ca 0.19 1.35 0.15 0.00 0.21 0.00 0.00 52.86 54.76 2a3j s ASN 38 Cb -0.14 -2.51 0.72 0.00 -0.55 0.00 0.00 41.25 38.77 2a3j s ASN 38 CO 0.08 -0.47 1.42 -0.81 -2.79 0.00 0.00 177.10 174.54 2a3j n PRO 39 N 5.34 0.17 -0.10 0.43 -0.04 -1.26 -3.31 135.00 136.23 2a3j n PRO 39 Ca 0.08 0.17 0.26 0.00 -0.04 0.00 0.00 63.50 63.96 2a3j n PRO 39 Cb 0.48 -1.50 0.72 0.00 -0.04 0.00 0.00 33.50 33.16 2a3j n PRO 39 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2a3j h GLU 40 N 0.00 0.00 -5.72 0.54 5.08 -1.91 -3.39 114.58 109.18 2a3j h GLU 40 Ca 0.00 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 57.76 2a3j h GLU 40 Cb 0.16 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.33 2a3j h GLU 40 CO 0.00 0.00 -0.25 0.54 -1.00 0.00 0.00 179.01 178.30 2a3j s VAL 41 N -4.87 5.20 0.34 3.13 0.11 -1.21 -5.06 120.40 118.05 2a3j s VAL 41 Ca -0.05 0.72 -0.28 0.00 -2.93 0.00 0.00 61.98 59.44 2a3j s VAL 41 Cb 0.20 -3.69 -0.09 0.00 -1.53 0.00 0.00 36.38 31.26 2a3j s VAL 41 CO 0.70 0.45 1.21 -2.16 -3.33 0.00 0.00 175.10 171.97 2a3j s PRO 42 N -0.06 4.32 0.46 1.54 0.04 -1.26 -4.72 135.00 135.32 2a3j s PRO 42 Ca 0.21 2.00 0.28 0.00 0.04 0.00 0.00 61.00 63.52 2a3j s PRO 42 Cb -0.15 -2.97 1.33 0.00 0.04 0.00 0.00 34.50 32.76 2a3j s PRO 42 CO 0.08 -0.14 1.77 -0.22 0.04 0.00 0.00 177.00 178.53 2a3j h LYS 43 N 3.23 0.19 -0.18 4.56 3.64 -1.94 0.34 116.57 126.41 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 1.23 -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 0.00 179.45 179.08 2a3j h GLU 44 N 0.20 -0.39 0.15 1.90 4.81 -1.99 0.42 114.58 119.67 2a3j h GLU 44 Ca 0.61 0.03 -0.28 0.00 -0.13 0.00 0.00 59.36 59.58 2a3j h GLU 44 Cb 1.95 0.09 0.01 0.00 0.63 0.00 0.00 28.75 31.43 2a3j h GLU 44 CO -0.18 -0.26 -1.37 0.87 -0.73 0.00 0.00 179.01 177.33 2a3j h LYS 45 N -0.41 0.32 -0.41 1.92 6.56 -1.51 -3.13 116.57 119.91 2a3j h LYS 45 Ca 0.10 -0.55 0.08 0.00 -1.06 0.00 0.00 60.65 59.22 2a3j h LYS 45 Cb 0.58 0.20 -0.07 0.00 -0.57 0.00 0.00 32.23 32.37 2a3j h LYS 45 CO -0.40 1.26 -0.06 1.25 -2.06 0.00 0.00 179.45 179.44 2a3j h LEU 46 N -0.18 -0.29 -0.10 2.94 5.85 -0.32 0.10 115.31 123.32 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 1.85 0.22 -0.00 0.00 0.37 0.00 0.00 40.66 43.10 2a3j h LEU 46 CO 0.13 -0.10 0.04 -0.61 -0.34 0.00 0.00 178.44 177.55 2a3j h GLN 47 N 0.04 0.14 -0.56 1.25 4.15 -0.32 -1.72 115.11 118.10 2a3j h GLN 47 Ca 0.20 -0.03 0.10 0.00 0.77 0.00 0.00 58.65 59.69 2a3j h GLN 47 Cb 0.30 -0.02 -0.03 0.00 0.21 0.00 0.00 27.48 27.93 2a3j h GLN 47 CO -0.38 0.27 0.38 0.00 -1.93 0.00 0.00 178.83 177.17 2a3j h ALA 48 N 0.87 2.07 -0.00 3.38 0.00 -1.36 -2.08 119.26 122.14 2a3j h ALA 48 Ca 0.03 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2a3j h ALA 48 Cb 0.18 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2a3j h ALA 48 CO -0.00 -0.20 -0.00 -0.07 0.00 0.00 0.00 179.25 178.97 2a3j h LEU 49 N 0.34 0.01 -2.03 0.00 -0.00 -0.46 -2.81 115.31 110.36 2a3j h LEU 49 Ca 0.26 -0.60 0.13 0.00 -0.00 0.00 0.00 57.88 57.67 2a3j h LEU 49 Cb 0.58 -0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.22 2a3j h LEU 49 CO -0.06 0.61 0.36 -0.07 -0.00 0.00 0.00 178.44 179.27 2a3j h LEU 50 N -0.60 0.00 -0.03 1.67 3.38 -0.75 -1.46 115.31 117.53 2a3j h LEU 50 Ca -0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 2a3j h LEU 50 Cb 0.61 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.36 2a3j h LEU 50 CO 0.00 0.00 -0.14 0.22 0.09 0.00 0.00 178.44 178.61 2a3j h TYR 51 N 0.00 0.20 -0.24 1.13 5.03 -1.34 -2.21 116.97 119.53 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 0.93 -0.03 -0.07 0.00 1.55 0.00 0.00 36.73 39.11 2a3j h TYR 51 CO 0.00 0.78 -0.27 0.00 -1.32 0.00 0.00 178.16 177.35 2a3j h ALA 52 N 0.38 -0.19 -0.79 1.82 0.00 -1.01 0.21 119.26 119.68 2a3j h ALA 52 Ca -0.01 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 2a3j h ALA 52 Cb 0.80 0.56 -0.04 0.00 0.00 0.00 0.00 17.79 19.11 2a3j h ALA 52 CO 0.03 -0.71 0.33 -0.07 0.00 0.00 0.00 179.25 178.83 2a3j h LEU 53 N -0.28 1.08 0.41 0.00 3.38 -1.58 -2.38 115.31 115.94 2a3j h LEU 53 Ca 0.13 -0.16 -0.02 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 40.97 2a3j h LEU 53 CO -0.40 0.95 -0.20 0.00 0.09 0.00 0.00 178.44 178.88 2a3j h ALA 54 N 1.21 -0.56 -0.30 1.53 0.00 -0.62 -2.39 119.26 118.13 2a3j h ALA 54 Ca 0.27 -0.12 0.09 0.00 0.00 0.00 0.00 54.91 55.14 2a3j h ALA 54 Cb 0.20 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2a3j h ALA 54 CO -0.02 -0.81 0.22 1.03 0.00 0.00 0.00 179.25 179.66 2a3j h SER 55 N -0.56 0.00 -0.03 0.00 0.87 -0.52 0.74 113.55 114.05 2a3j h SER 55 Ca -0.06 0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.51 2a3j h SER 55 Cb 0.43 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.39 2a3j h SER 55 CO 0.09 0.00 0.08 -1.28 -0.53 0.00 0.00 176.83 175.19 2a3j h SER 56 N 0.00 0.00 0.00 6.23 0.87 -0.89 -3.35 113.55 116.41 2a3j h SER 56 Ca 0.14 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.70 2a3j h SER 56 Cb 0.57 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.53 2a3j h SER 56 CO -0.00 0.00 0.00 0.00 -0.53 0.00 0.00 176.83 176.30 2a3j n GLN 57 N -3.37 0.00 -4.68 2.24 1.13 0.14 -5.12 117.38 107.72 2a3j n GLN 57 Ca -0.02 0.00 -0.30 0.00 -1.94 0.00 0.00 57.00 54.74 2a3j n GLN 57 Cb 0.16 -0.09 -0.09 0.00 0.11 0.00 0.00 30.24 30.32 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 -2.36 2.75 0.39 1.08 0.00 -0.51 -5.00 107.32 103.68 2a3j s GLY 58 Ca 0.00 -1.34 -0.24 0.00 0.00 0.00 0.00 44.72 43.14 2a3j s GLY 58 CO 0.00 -2.14 1.00 0.99 0.00 0.00 0.00 173.10 172.95 2a3j s ASP 59 N -3.78 6.91 -0.13 1.64 1.11 -1.26 -3.42 116.67 117.74 2a3j s ASP 59 Ca 0.21 1.90 -0.03 0.00 0.18 0.00 0.00 52.55 54.81 2a3j s ASP 59 Cb 0.06 -2.57 -0.03 0.00 1.07 0.00 0.00 42.92 41.45 2a3j s ASP 59 CO 0.11 -0.38 -0.04 -0.63 1.18 0.00 0.00 175.17 175.41 2a3j s ILE 60 N -1.79 3.92 -0.13 0.77 1.09 -1.26 -1.60 121.20 122.20 2a3j s ILE 60 Ca 0.58 -0.36 0.19 0.00 -1.10 0.00 0.00 60.65 59.96 2a3j s ILE 60 Cb -0.18 -2.69 -0.27 0.00 -1.06 0.00 0.00 42.46 38.26 2a3j s ILE 60 CO 0.23 0.53 0.30 0.18 -0.10 0.00 0.00 174.94 176.07 2a3j n LEU 61 N 3.06 0.08 -3.40 2.97 4.77 -0.35 -4.91 117.00 119.22 2a3j n LEU 61 Ca -0.18 0.04 0.03 0.00 -0.03 0.00 0.00 56.01 55.87 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 0.31 0.27 1.00 -0.62 -1.33 0.00 0.00 177.39 177.03 2a3j s ASP 62 N -5.14 -0.00 -0.35 -1.43 2.15 -1.21 -5.04 116.67 105.63 2a3j s ASP 62 Ca -0.09 0.01 -0.10 0.00 0.43 0.00 0.00 52.55 52.80 2a3j s ASP 62 Cb 0.09 1.00 0.02 0.00 -0.30 0.00 0.00 42.92 43.73 2a3j s ASP 62 CO 0.86 -0.00 0.18 -0.63 -0.17 0.00 0.00 175.17 175.41 2a3j s ILE 63 N 1.51 4.56 0.03 4.11 1.01 -1.26 -1.21 121.20 129.94 2a3j s ILE 63 Ca -0.03 -0.72 -0.05 0.00 0.00 0.00 0.00 60.65 59.85 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 -0.13 0.26 -0.69 0.00 0.00 0.00 174.94 174.26 2a3j s VAL 64 N 1.57 5.32 -0.05 2.92 1.01 0.13 -4.99 120.40 126.30 2a3j s VAL 64 Ca 0.03 0.01 -0.03 0.00 0.00 0.00 0.00 61.98 61.99 2a3j s VAL 64 Cb -0.18 -3.58 0.03 0.00 0.00 0.00 0.00 36.38 32.64 2a3j s VAL 64 CO 0.06 0.28 0.12 -0.69 0.00 0.00 0.00 175.10 174.87 2a3j s VAL 65 N -1.39 -0.03 0.00 2.92 1.01 -1.26 -0.26 120.40 121.39 2a3j s VAL 65 Ca 0.31 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.40 2a3j s VAL 65 Cb -0.13 -0.20 0.00 0.00 0.00 0.00 0.00 36.38 36.06 2a3j s VAL 65 CO 0.19 0.05 0.00 -0.67 0.00 0.00 0.00 175.10 174.67 2a3j n ASP 66 N 3.75 -0.60 -1.41 3.32 2.03 -1.00 -4.87 116.55 117.77 2a3j n ASP 66 Ca -0.21 -0.04 0.05 0.00 0.52 0.00 0.00 54.79 55.10 2a3j n ASP 66 Cb 0.54 0.00 0.27 0.00 -0.72 0.00 0.00 41.12 41.21 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 4.12 -3.58 -2.67 -0.00 -1.26 -4.93 117.00 108.68 2a3j n LEU 67 Ca 0.00 -2.09 -0.26 0.00 -0.00 0.00 0.00 56.01 53.66 2a3j n LEU 67 Cb 0.00 -0.61 0.04 0.00 -0.00 0.00 0.00 43.42 42.85 2a3j n LEU 67 CO 0.00 0.51 -0.03 -1.20 -0.00 0.00 0.00 177.39 176.67 2a3j n SER 68 N 0.45 -5.70 -4.77 1.45 7.64 -1.26 -4.92 113.62 106.50 2a3j n SER 68 Ca 0.19 -0.88 -0.38 0.00 1.01 0.00 0.00 58.87 58.80 2a3j n SER 68 Cb 0.87 -3.61 -0.05 0.00 -1.01 0.00 0.00 64.21 60.41 2a3j n SER 68 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2a3j s ASP 69 N -3.36 7.12 0.00 6.43 1.11 -1.26 -4.70 116.67 122.01 2a3j s ASP 69 Ca 0.38 2.08 0.16 0.00 0.18 0.00 0.00 52.55 55.35 2a3j s ASP 69 Cb -0.13 -2.60 0.68 0.00 1.07 0.00 0.00 42.92 41.94 2a3j s ASP 69 CO 0.84 -0.23 1.51 -0.67 1.18 0.00 0.00 175.17 177.80 2a3j n ASP 70 N 0.63 0.01 -0.01 0.27 2.03 -1.26 -0.96 116.55 117.26 2a3j n ASP 70 Ca 0.02 0.50 0.02 0.00 0.52 0.00 0.00 54.79 55.85 2a3j n ASP 70 Cb 0.48 -0.50 -0.02 0.00 -0.72 0.00 0.00 41.12 40.35 2a3j n ASP 70 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2a3j n ASN 71 N -1.51 0.24 0.00 1.67 4.13 -1.26 -4.89 115.26 113.64 2a3j n ASN 71 Ca 0.04 -0.62 0.00 0.00 1.68 0.00 0.00 54.58 55.68 2a3j n ASN 71 Cb 0.19 0.96 0.00 0.00 -1.54 0.00 0.00 39.78 39.39 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 -1.05 0.00 -2.95 6.41 7.64 -0.99 -5.10 113.62 117.58 2a3j n SER 72 Ca 0.01 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 59.86 2a3j n SER 72 Cb 0.07 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.26 2a3j n SER 72 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2a3j n GLY 73 N 3.56 -2.26 3.68 0.23 0.00 -0.14 -4.60 105.19 105.66 2a3j n GLY 73 Ca 0.00 0.40 -0.10 0.00 0.00 0.00 0.00 46.02 46.32 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 -1.53 1.96 0.28 1.61 -2.85 -1.26 -3.05 119.74 114.90 2a3j s LYS 74 Ca 0.04 -1.45 -0.19 0.00 -1.00 0.00 0.00 55.97 53.38 2a3j s LYS 74 Cb -0.01 0.54 0.07 0.00 -2.06 0.00 0.00 37.83 36.37 2a3j s LYS 74 CO 0.51 -0.87 0.92 0.00 0.10 0.00 0.00 175.35 176.01 2a3j n ALA 75 N -0.51 -2.28 -3.72 0.59 0.00 -0.57 -2.36 120.51 111.66 2a3j n ALA 75 Ca -0.04 -1.13 -0.14 0.00 0.00 0.00 0.00 53.44 52.14 2a3j n ALA 75 Cb 0.61 0.76 -0.14 0.00 0.00 0.00 0.00 19.45 20.68 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 -2.16 -0.26 -0.33 0.00 1.51 0.65 -0.77 117.35 116.00 2a3j s TYR 76 Ca 0.20 0.67 -0.07 0.00 -1.01 0.00 0.00 57.07 56.86 2a3j s TYR 76 Cb -0.04 -0.05 0.03 0.00 -0.11 0.00 0.00 41.96 41.79 2a3j s TYR 76 CO 0.08 -0.23 0.10 0.42 -1.11 0.00 0.00 175.55 174.81 2a3j s ILE 77 N 1.51 3.88 -0.14 2.71 1.01 0.10 0.17 121.20 130.44 2a3j s ILE 77 Ca -0.06 -0.97 -0.24 0.00 0.00 0.00 0.00 60.65 59.38 2a3j s ILE 77 Cb -0.11 -3.13 -0.02 0.00 0.01 0.00 0.00 42.46 39.21 2a3j s ILE 77 CO -0.07 -0.09 0.74 -0.69 0.00 0.00 0.00 174.94 174.82 2a3j s VAL 78 N 1.44 4.97 0.55 2.92 1.01 -0.35 -1.58 120.40 129.36 2a3j s VAL 78 Ca -0.00 1.46 0.06 0.00 0.00 0.00 0.00 61.98 63.50 2a3j s VAL 78 Cb -0.19 -4.06 0.05 0.00 0.00 0.00 0.00 36.38 32.18 2a3j s VAL 78 CO 0.03 0.12 0.45 -0.36 0.00 0.00 0.00 175.10 175.34 2a3j s PHE 79 N 1.67 1.54 0.20 5.22 0.08 0.16 -1.21 117.98 125.64 2a3j s PHE 79 Ca 0.36 -0.84 -0.10 0.00 0.12 0.00 0.00 56.93 56.47 2a3j s PHE 79 Cb -0.17 -1.94 0.13 0.00 -0.57 0.00 0.00 43.02 40.47 2a3j s PHE 79 CO 0.14 -0.58 1.78 0.00 -0.10 0.00 0.00 175.22 176.45 2a3j h ALA 80 N 0.66 0.94 -2.44 5.36 0.00 -1.55 -3.41 119.26 118.82 2a3j h ALA 80 Ca -0.36 -0.16 0.15 0.00 0.00 0.00 0.00 54.91 54.54 2a3j h ALA 80 Cb 1.30 -0.28 -0.09 0.00 0.00 0.00 0.00 17.79 18.72 2a3j h ALA 80 CO 0.55 0.53 0.44 0.99 0.00 0.00 0.00 179.25 181.76 2a3j s THR 81 N -5.64 0.00 0.54 0.00 2.01 -1.26 -4.94 115.64 106.35 2a3j s THR 81 Ca -0.13 -0.60 0.30 0.00 0.31 0.00 0.00 61.69 61.58 2a3j s THR 81 Cb 0.15 -1.83 0.45 0.00 0.01 0.00 0.00 72.50 71.28 2a3j s THR 81 CO 0.81 0.00 1.92 -0.61 -0.69 0.00 0.00 174.62 176.05 2a3j h GLN 82 N 2.00 0.00 -0.02 4.92 -0.00 -1.87 -0.65 115.11 119.49 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 -0.06 0.93 0.00 0.00 0.00 178.83 179.96 2a3j h GLU 83 N 0.00 -0.10 -0.08 1.69 4.39 -1.95 0.66 114.58 119.19 2a3j h GLU 83 Ca 0.36 0.01 -0.10 0.00 0.34 0.00 0.00 59.36 59.97 2a3j h GLU 83 Cb 1.49 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 30.16 2a3j h GLU 83 CO -0.00 -0.07 -0.33 0.77 -1.16 0.00 0.00 179.01 178.22 2a3j h SER 84 N -0.10 0.43 0.04 1.42 0.02 -1.57 -2.89 113.55 110.90 2a3j h SER 84 Ca 0.03 -0.63 0.03 0.00 -0.84 0.00 0.00 61.79 60.38 2a3j h SER 84 Cb 0.14 -0.13 -0.05 0.00 0.14 0.00 0.00 62.40 62.51 2a3j h SER 84 CO -0.08 0.99 -0.34 0.00 -1.14 0.00 0.00 176.83 176.26 2a3j h ALA 85 N 0.45 -0.54 -0.59 3.77 0.00 -1.16 -0.61 119.26 120.58 2a3j h ALA 85 Ca -0.02 -0.03 0.09 0.00 0.00 0.00 0.00 54.91 54.95 2a3j h ALA 85 Cb 0.97 0.59 -0.04 0.00 0.00 0.00 0.00 17.79 19.32 2a3j h ALA 85 CO 0.07 -0.87 0.40 0.37 0.00 0.00 0.00 179.25 179.21 2a3j h GLN 86 N -0.53 0.43 -0.35 0.00 4.15 -0.96 0.20 115.11 118.06 2a3j h GLN 86 Ca 0.05 -0.03 -0.04 0.00 0.77 0.00 0.00 58.65 59.40 2a3j h GLN 86 Cb 0.59 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 28.17 2a3j h GLN 86 CO -0.25 0.29 0.04 0.00 -1.93 0.00 0.00 178.83 176.98 2a3j h ALA 87 N 1.70 0.47 -0.05 3.38 0.00 -0.99 -0.59 119.26 123.17 2a3j h ALA 87 Ca 0.27 -0.21 -0.19 0.00 0.00 0.00 0.00 54.91 54.78 2a3j h ALA 87 Cb 0.47 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2a3j h ALA 87 CO -0.08 0.18 -0.78 0.35 0.00 0.00 0.00 179.25 178.93 2a3j h PHE 88 N 0.42 0.50 -0.50 0.00 3.04 -0.23 -0.43 116.94 119.73 2a3j h PHE 88 Ca 0.10 -0.23 -0.09 0.00 3.98 0.00 0.00 57.97 61.73 2a3j h PHE 88 Cb 0.38 -0.07 -0.02 0.00 2.56 0.00 0.00 35.95 38.80 2a3j h PHE 88 CO 0.03 1.00 -0.05 0.28 -2.02 0.00 0.00 178.31 177.55 2a3j h VAL 89 N 0.23 1.27 0.00 1.41 2.07 -0.54 -1.52 116.25 119.17 2a3j h VAL 89 Ca -0.04 -1.16 -0.11 0.00 0.82 0.00 0.00 66.70 66.21 2a3j h VAL 89 Cb 1.36 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 32.12 2a3j h VAL 89 CO 0.13 0.41 -0.64 1.05 0.02 0.00 0.00 177.57 178.54 2a3j h GLU 90 N 0.78 0.00 0.00 1.57 -0.00 -1.12 0.25 114.58 116.06 2a3j h GLU 90 Ca 0.14 0.00 -0.07 0.00 -0.00 0.00 0.00 59.36 59.42 2a3j h GLU 90 Cb 0.59 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.33 2a3j h GLU 90 CO 0.04 0.48 -0.34 0.00 -0.00 0.00 0.00 179.01 179.19 2a3j h ALA 91 N 1.48 0.86 0.00 1.06 0.00 -0.92 -3.25 119.26 118.50 2a3j h ALA 91 Ca -0.02 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2a3j h ALA 91 Cb 1.42 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.15 2a3j h ALA 91 CO 0.06 0.43 0.00 1.19 0.00 0.00 0.00 179.25 180.93 2a3j n PHE 92 N -3.30 0.00 -0.32 0.00 3.01 -0.59 -4.72 117.46 111.54 2a3j n PHE 92 Ca 0.01 -0.30 0.29 0.00 1.01 0.00 0.00 57.45 58.47 2a3j n PHE 92 Cb 0.58 -0.03 0.63 0.00 -0.01 0.00 0.00 39.48 40.65 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 0.18 -2.07 -1.08 4.15 -0.53 -2.75 115.11 113.02 2a3j h GLN 93 Ca 0.00 -0.01 -0.52 0.00 0.77 0.00 0.00 58.65 58.89 2a3j h GLN 93 Cb 0.35 -0.04 -0.40 0.00 0.21 0.00 0.00 27.48 27.59 2a3j h GLN 93 CO 0.00 0.12 -1.04 0.41 -1.93 0.00 0.00 178.83 176.40 2a3j n GLY 94 N -1.62 3.95 3.03 2.39 0.00 -1.26 -4.76 105.19 106.92 2a3j n GLY 94 Ca 0.25 -1.95 -0.21 0.00 0.00 0.00 0.00 46.02 44.11 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 -2.42 1.04 -0.50 1.61 6.14 -1.04 -5.10 117.35 117.08 2a3j s TYR 95 Ca 0.41 -0.25 -0.27 0.00 0.64 0.00 0.00 57.07 57.59 2a3j s TYR 95 Cb 0.29 -0.72 -0.02 0.00 0.42 0.00 0.00 41.96 41.94 2a3j s TYR 95 CO -0.09 -0.09 1.79 -1.25 0.64 0.00 0.00 175.55 176.55 2a3j s PRO 96 N 0.08 2.96 0.05 4.97 0.04 -1.26 -4.36 135.00 137.48 2a3j s PRO 96 Ca -0.02 0.91 0.04 0.00 0.04 0.00 0.00 61.00 61.97 2a3j s PRO 96 Cb -0.08 -4.29 -0.03 0.00 0.04 0.00 0.00 34.50 30.15 2a3j s PRO 96 CO 0.00 -2.32 -0.11 0.12 0.04 0.00 0.00 177.00 174.73 2a3j s PHE 97 N 7.97 0.97 -1.58 0.56 5.36 -1.23 -4.74 117.98 125.29 2a3j s PHE 97 Ca 0.71 -0.45 0.00 0.00 -0.96 0.00 0.00 56.93 56.22 2a3j s PHE 97 Cb -0.16 -0.56 0.00 0.00 -0.34 0.00 0.00 43.02 41.96 2a3j s PHE 97 CO 0.26 -0.00 0.00 1.04 -1.46 0.00 0.00 175.22 175.06 2a3j n GLN 98 N 1.47 -1.71 0.00 10.12 6.02 -1.26 -2.70 117.38 129.33 2a3j n GLN 98 Ca -0.21 0.89 0.00 0.00 -0.01 0.00 0.00 57.00 57.67 2a3j n GLN 98 Cb 0.54 -5.40 0.00 0.00 1.02 0.00 0.00 30.24 26.41 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 -0.68 2.95 0.00 1.08 0.00 -1.26 -4.71 105.19 102.57 2a3j n GLY 99 Ca -0.19 -0.65 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 -4.58 1.61 3.02 -1.10 -5.01 115.26 109.21 2a3j n ASN 100 Ca 0.00 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.14 2a3j n ASN 100 Cb 0.00 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.14 2a3j n ASN 100 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2a3j s PRO 101 N 0.00 3.05 -0.10 3.52 0.04 -1.26 -3.57 135.00 136.67 2a3j s PRO 101 Ca 0.00 0.99 0.00 0.00 0.04 0.00 0.00 61.00 62.03 2a3j s PRO 101 Cb 0.00 -4.26 0.02 0.00 0.04 0.00 0.00 34.50 30.30 2a3j s PRO 101 CO 0.00 -2.21 -0.10 -1.17 0.04 0.00 0.00 177.00 173.56 2a3j s LEU 102 N 7.66 1.39 -0.05 -3.56 2.96 -1.26 -4.74 118.68 121.08 2a3j s LEU 102 Ca 0.71 -0.33 0.06 0.00 -0.22 0.00 0.00 54.13 54.36 2a3j s LEU 102 Cb -0.17 -0.88 -0.01 0.00 0.50 0.00 0.00 46.19 45.63 2a3j s LEU 102 CO 0.28 -0.06 -0.25 0.54 -1.32 0.00 0.00 176.35 175.53 2a3j s VAL 103 N 1.37 2.02 -0.05 1.68 0.11 -1.26 -4.71 120.40 119.57 2a3j s VAL 103 Ca -0.01 -1.06 0.00 0.00 -2.93 0.00 0.00 61.98 57.98 2a3j s VAL 103 Cb -0.14 -1.71 0.03 0.00 -1.53 0.00 0.00 36.38 33.03 2a3j s VAL 103 CO -0.05 0.56 -0.02 0.27 -3.33 0.00 0.00 175.10 172.54 2a3j s ILE 104 N -0.22 0.38 0.22 7.04 -0.00 -1.26 -3.65 121.20 123.72 2a3j s ILE 104 Ca -0.02 0.02 -0.06 0.00 -0.00 0.00 0.00 60.65 60.59 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 0.28 0.42 -0.00 0.00 0.00 174.94 175.89 2a3j s THR 105 N 1.32 0.00 0.28 8.37 -4.23 -1.15 -4.91 115.64 115.32 2a3j s THR 105 Ca -0.05 -1.73 -0.03 0.00 -1.18 0.00 0.00 61.69 58.70 2a3j s THR 105 Cb -0.13 -2.35 0.06 0.00 1.34 0.00 0.00 72.50 71.42 2a3j s THR 105 CO -0.02 -0.01 0.38 0.49 -0.54 0.00 0.00 174.62 174.91 2a3j n PHE 106 N -0.31 -3.70 -3.63 3.99 3.72 -1.26 -0.23 117.46 116.04 2a3j n PHE 106 Ca 0.00 -0.45 -0.02 0.00 -0.05 0.00 0.00 57.45 56.93 2a3j n PHE 106 Cb 0.64 -0.29 -0.00 0.00 -0.94 0.00 0.00 39.48 38.89 2a3j n PHE 106 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2a3j n SER 107 N -3.15 -0.22 -4.75 4.37 2.88 -1.10 -3.97 113.62 107.68 2a3j n SER 107 Ca 0.05 -1.30 -0.34 0.00 -1.33 0.00 0.00 58.87 55.96 2a3j n SER 107 Cb 0.18 0.41 -0.08 0.00 -0.75 0.00 0.00 64.21 63.98 2a3j n SER 107 CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 2a3j s GLU 108 N -2.12 3.05 -0.40 -1.46 -1.05 -1.26 -4.75 118.70 110.71 2a3j s GLU 108 Ca 0.05 -0.44 0.08 0.00 -0.15 0.00 0.00 54.97 54.50 2a3j s GLU 108 Cb -0.00 -2.85 0.25 0.00 -0.44 0.00 0.00 34.13 31.08 2a3j s GLU 108 CO 0.03 0.67 0.56 0.25 0.95 0.00 0.00 175.26 177.73 2a3j n THR 109 N 1.55 -0.62 -0.96 1.83 -2.24 -1.26 -5.02 114.28 107.56 2a3j n THR 109 Ca -0.15 -3.75 -0.25 0.00 -2.27 0.00 0.00 64.05 57.63 2a3j n THR 109 Cb 0.53 -1.56 0.21 0.00 -2.10 0.00 0.00 70.33 67.41 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 1.42 -2.78 -1.24 -0.78 -0.04 -1.26 -4.93 135.00 125.38 2a3j n PRO 110 Ca 0.20 -1.45 -0.01 0.00 -0.04 0.00 0.00 63.50 62.20 2a3j n PRO 110 Cb 0.54 -1.36 0.01 0.00 -0.04 0.00 0.00 33.50 32.65 2a3j n PRO 110 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 2a3j n GLN 111 N -4.27 0.18 0.01 0.54 7.27 -1.26 -4.99 117.38 114.86 2a3j n GLN 111 Ca 0.13 -0.28 -0.02 0.00 0.07 0.00 0.00 57.00 56.90 2a3j n GLN 111 Cb 0.49 0.29 -0.11 0.00 2.41 0.00 0.00 30.24 33.33 2a3j n GLN 111 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 2a3j n SER 112 N -0.21 0.70 0.16 1.69 2.88 -1.26 -4.02 113.62 113.56 2a3j n SER 112 Ca -0.06 0.31 0.18 0.00 -1.33 0.00 0.00 58.87 57.98 2a3j n SER 112 Cb 0.49 0.36 0.79 0.00 -0.75 0.00 0.00 64.21 65.09 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 0.00 0.00 -0.51 -1.46 3.07 -2.05 0.24 115.11 114.40 2a3j h GLN 113 Ca -0.22 0.00 -0.17 0.00 0.09 0.00 0.00 58.65 58.35 2a3j h GLN 113 Cb 1.68 0.00 -0.10 0.00 0.08 0.00 0.00 27.48 29.14 2a3j h GLN 113 CO 0.05 0.00 0.13 1.33 0.09 0.00 0.00 178.83 180.42 2a3j n VAL 114 N -3.83 2.67 0.07 1.86 0.24 -1.26 -4.52 118.33 113.56 2a3j n VAL 114 Ca 0.04 -2.05 -0.12 0.00 -2.04 0.00 0.00 64.34 60.17 2a3j n VAL 114 Cb 0.43 -0.33 -0.04 0.00 -1.47 0.00 0.00 33.84 32.43 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 1.81 0.41 -0.53 2.33 0.00 -0.70 -3.19 119.26 119.38 2a3j h ALA 115 Ca 0.21 -0.71 0.05 0.00 0.00 0.00 0.00 54.91 54.45 2a3j h ALA 115 Cb 1.94 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.66 2a3j h ALA 115 CO 0.52 0.84 0.35 1.49 0.00 0.00 0.00 179.25 182.46 2a3j h GLU 116 N 0.20 0.53 0.00 0.00 4.57 -1.79 -3.52 114.58 114.56 2a3j h GLU 116 Ca -0.07 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.08 2a3j h GLU 116 Cb 1.56 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 30.03 2a3j h GLU 116 CO 0.15 0.35 0.00 -3.47 -1.18 0.00 0.00 179.01 174.87