#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 0.00 -0.78 0.04 -1.26 -4.91 135.00 131.67 2a3j s PRO 23 Ca 0.00 1.46 -0.23 0.00 0.04 0.00 0.00 61.00 62.26 2a3j s PRO 23 Cb 0.00 -4.10 -0.18 0.00 0.04 0.00 0.00 34.50 30.26 2a3j s PRO 23 CO 0.00 -1.57 1.30 -1.00 0.04 0.00 0.00 177.00 175.77 2a3j h PRO 24 N 11.63 0.15 -3.14 0.56 0.13 -2.02 -3.50 132.00 135.82 2a3j h PRO 24 Ca -0.33 -0.08 0.32 0.00 -0.87 0.00 0.00 66.00 65.04 2a3j h PRO 24 Cb 1.15 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.13 2a3j h PRO 24 CO 1.03 0.60 -1.03 0.72 -0.23 0.00 0.00 178.00 179.08 2a3j n HIS 25 N -4.72 -3.48 -2.32 1.56 8.25 -1.26 -4.81 115.22 108.43 2a3j n HIS 25 Ca -0.07 1.89 -0.19 0.00 -0.26 0.00 0.00 57.72 59.08 2a3j n HIS 25 Cb 0.30 -3.16 -0.02 0.00 1.12 0.00 0.00 29.99 28.23 2a3j n HIS 25 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 2a3j n THR 26 N -4.13 -0.82 -4.18 1.59 -1.04 -1.26 -4.97 114.28 99.46 2a3j n THR 26 Ca -0.07 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.81 2a3j n THR 26 Cb 0.62 -2.65 -0.10 0.00 -1.82 0.00 0.00 70.33 66.37 2a3j n THR 26 CO 0.00 0.00 0.00 -1.83 -0.64 0.00 0.00 175.07 172.60 2a3j s GLU 27 N -4.90 0.87 0.62 -2.82 -1.05 -1.26 -5.15 118.70 105.01 2a3j s GLU 27 Ca 0.00 -1.25 -0.17 0.00 -0.15 0.00 0.00 54.97 53.41 2a3j s GLU 27 Cb 0.00 -0.45 -0.02 0.00 -0.44 0.00 0.00 34.13 33.22 2a3j s GLU 27 CO 0.00 0.05 1.12 -1.25 0.95 0.00 0.00 175.26 176.13 2a3j s PRO 28 N -3.21 3.00 -0.38 -4.83 0.04 -1.26 -5.04 135.00 123.31 2a3j s PRO 28 Ca 0.09 1.47 0.04 0.00 0.04 0.00 0.00 61.00 62.64 2a3j s PRO 28 Cb 0.00 -1.97 0.16 0.00 0.04 0.00 0.00 34.50 32.73 2a3j s PRO 28 CO -0.01 -1.11 0.44 -1.54 0.04 0.00 0.00 177.00 174.82 2a3j s SER 29 N -2.30 0.50 -0.04 6.66 1.04 -1.26 -4.43 113.70 113.87 2a3j s SER 29 Ca 0.69 -1.39 0.12 0.00 0.48 0.00 0.00 55.95 55.85 2a3j s SER 29 Cb -0.22 0.91 0.40 0.00 0.10 0.00 0.00 66.02 67.21 2a3j s SER 29 CO 0.36 -0.24 1.29 0.00 0.98 0.00 0.00 173.24 175.64 2a3j n GLN 30 N 4.28 2.33 -4.06 4.02 6.02 -1.26 -3.15 117.38 125.55 2a3j n GLN 30 Ca 0.11 -1.62 -0.13 0.00 -0.01 0.00 0.00 57.00 55.35 2a3j n GLN 30 Cb 0.48 -1.50 -0.13 0.00 1.02 0.00 0.00 30.24 30.12 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 -1.58 0.39 0.00 5.09 -7.23 -1.26 -0.09 120.40 115.73 2a3j s VAL 31 Ca 0.29 -0.69 0.06 0.00 -1.81 0.00 0.00 61.98 59.83 2a3j s VAL 31 Cb 0.17 -0.43 -0.02 0.00 0.56 0.00 0.00 36.38 36.67 2a3j s VAL 31 CO 0.17 -0.21 -0.18 0.68 -0.31 0.00 0.00 175.10 175.25 2a3j s VAL 32 N -0.88 1.40 -0.21 1.32 -7.23 -0.57 -1.84 120.40 112.40 2a3j s VAL 32 Ca -0.06 -0.86 -0.05 0.00 -1.81 0.00 0.00 61.98 59.19 2a3j s VAL 32 Cb -0.07 -1.19 -0.03 0.00 0.56 0.00 0.00 36.38 35.66 2a3j s VAL 32 CO -0.00 0.31 0.01 -0.22 -0.31 0.00 0.00 175.10 174.89 2a3j s LEU 33 N -0.65 3.31 0.14 1.32 2.96 0.88 -0.80 118.68 125.84 2a3j s LEU 33 Ca 0.06 -0.19 0.08 0.00 -0.22 0.00 0.00 54.13 53.86 2a3j s LEU 33 Cb -0.07 -1.85 -0.04 0.00 0.50 0.00 0.00 46.19 44.73 2a3j s LEU 33 CO 0.00 0.05 -0.12 0.27 -1.32 0.00 0.00 176.35 175.23 2a3j s ILE 34 N 1.08 3.13 0.12 6.68 -0.00 0.00 -3.00 121.20 129.22 2a3j s ILE 34 Ca 0.03 -1.49 0.01 0.00 -0.00 0.00 0.00 60.65 59.20 2a3j s ILE 34 Cb -0.14 -2.49 -0.00 0.00 -0.00 0.00 0.00 42.46 39.82 2a3j s ILE 34 CO 0.02 0.03 0.14 0.35 -0.00 0.00 0.00 174.94 175.48 2a3j n THR 35 N 0.49 0.00 -2.98 8.37 -2.24 -1.24 -1.43 114.28 115.24 2a3j n THR 35 Ca -0.13 -0.75 -0.17 0.00 -2.27 0.00 0.00 64.05 60.73 2a3j n THR 35 Cb 0.54 0.42 0.04 0.00 -2.10 0.00 0.00 70.33 69.22 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 -2.22 -5.11 -4.60 3.42 4.05 -1.20 -4.07 115.26 105.53 2a3j n ASN 36 Ca 0.01 -0.27 -0.34 0.00 0.45 0.00 0.00 54.58 54.43 2a3j n ASN 36 Cb 0.21 -3.88 -0.11 0.00 1.23 0.00 0.00 39.78 37.24 2a3j n ASN 36 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 177.26 174.48 2a3j s ILE 37 N -3.09 4.21 -0.14 -1.44 -4.36 -1.14 -4.80 121.20 110.45 2a3j s ILE 37 Ca 0.29 -0.26 -0.29 0.00 -0.26 0.00 0.00 60.65 60.13 2a3j s ILE 37 Cb -0.13 -2.82 -0.02 0.00 1.25 0.00 0.00 42.46 40.74 2a3j s ILE 37 CO 0.36 0.54 1.30 0.21 0.24 0.00 0.00 174.94 177.60 2a3j s ASN 38 N -0.23 6.92 0.00 4.36 3.84 -1.26 -4.53 114.94 124.04 2a3j s ASN 38 Ca 0.05 1.77 0.15 0.00 0.21 0.00 0.00 52.86 55.04 2a3j s ASN 38 Cb -0.12 -2.54 0.71 0.00 -0.55 0.00 0.00 41.25 38.75 2a3j s ASN 38 CO 0.02 -0.76 1.42 -0.81 -2.79 0.00 0.00 177.10 174.18 2a3j n PRO 39 N 6.47 0.16 -0.09 0.43 -0.04 -1.26 -3.29 135.00 137.39 2a3j n PRO 39 Ca 0.14 0.17 0.25 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 -5.77 0.54 5.08 -1.90 -3.39 114.58 109.14 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 -0.22 0.54 -1.00 0.00 0.00 179.01 178.33 2a3j s VAL 41 N -4.87 5.17 0.36 3.13 0.11 -1.21 -5.06 120.40 118.02 2a3j s VAL 41 Ca -0.05 0.79 -0.27 0.00 -2.93 0.00 0.00 61.98 59.52 2a3j s VAL 41 Cb 0.19 -3.72 -0.09 0.00 -1.53 0.00 0.00 36.38 31.24 2a3j s VAL 41 CO 0.70 0.45 1.21 -2.16 -3.33 0.00 0.00 175.10 171.96 2a3j s PRO 42 N -0.11 4.25 0.46 1.54 0.04 -1.26 -4.72 135.00 135.20 2a3j s PRO 42 Ca 0.22 1.96 0.27 0.00 0.04 0.00 0.00 61.00 63.50 2a3j s PRO 42 Cb -0.15 -2.89 1.33 0.00 0.04 0.00 0.00 34.50 32.82 2a3j s PRO 42 CO 0.10 -0.19 1.77 -0.22 0.04 0.00 0.00 177.00 178.49 2a3j h LYS 43 N 3.08 0.19 -0.19 4.56 3.64 -1.94 0.34 116.57 126.25 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 0.64 0.13 -0.37 1.49 -2.27 0.00 0.00 179.45 179.07 2a3j h GLU 44 N 0.20 -0.39 0.15 1.90 4.81 -1.99 0.42 114.58 119.68 2a3j h GLU 44 Ca 0.61 0.03 -0.29 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 -0.19 -0.26 -1.42 0.87 -0.73 0.00 0.00 179.01 177.28 2a3j h LYS 45 N -0.41 0.33 -0.38 1.92 1.57 -1.52 -3.15 116.57 114.93 2a3j h LYS 45 Ca 0.10 -0.56 0.07 0.00 -1.87 0.00 0.00 60.65 58.40 2a3j h LYS 45 Cb 0.58 0.21 -0.07 0.00 0.08 0.00 0.00 32.23 33.03 2a3j h LYS 45 CO -0.41 1.27 -0.09 1.25 -0.57 0.00 0.00 179.45 180.90 2a3j h LEU 46 N -0.16 -0.33 -0.07 2.94 5.85 -0.31 0.73 115.31 123.97 2a3j h LEU 46 Ca -0.28 0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.54 2a3j h LEU 46 Cb 1.88 0.23 -0.00 0.00 0.37 0.00 0.00 40.66 43.13 2a3j h LEU 46 CO 0.13 -0.12 0.03 -0.61 -0.34 0.00 0.00 178.44 177.53 2a3j h GLN 47 N 0.01 0.10 -0.55 1.25 4.15 -0.30 -1.75 115.11 118.02 2a3j h GLN 47 Ca 0.18 -0.02 0.11 0.00 0.77 0.00 0.00 58.65 59.70 2a3j h GLN 47 Cb 0.27 -0.02 -0.03 0.00 0.21 0.00 0.00 27.48 27.92 2a3j h GLN 47 CO -0.38 0.20 0.37 0.00 -1.93 0.00 0.00 178.83 177.09 2a3j h ALA 48 N 0.90 2.15 0.02 3.38 0.00 -1.38 -2.04 119.26 122.29 2a3j h ALA 48 Ca 0.02 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2a3j h ALA 48 Cb 0.13 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2a3j h ALA 48 CO -0.00 -0.29 -0.01 -0.07 0.00 0.00 0.00 179.25 178.88 2a3j h LEU 49 N 0.27 -0.03 -2.02 0.00 -0.00 -0.45 -2.81 115.31 110.28 2a3j h LEU 49 Ca 0.26 -0.56 0.13 0.00 -0.00 0.00 0.00 57.88 57.71 2a3j h LEU 49 Cb 0.65 0.01 -0.02 0.00 -0.00 0.00 0.00 40.66 41.30 2a3j h LEU 49 CO -0.06 0.56 0.36 -0.07 -0.00 0.00 0.00 178.44 179.24 2a3j h LEU 50 N -0.63 0.00 -0.08 1.67 3.38 -0.73 -1.01 115.31 117.90 2a3j h LEU 50 Ca -0.00 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 2a3j h LEU 50 Cb 0.59 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.35 2a3j h LEU 50 CO 0.01 0.00 -0.40 0.22 0.09 0.00 0.00 178.44 178.35 2a3j h TYR 51 N 0.00 0.57 -0.15 1.13 5.03 -1.34 -2.33 116.97 119.87 2a3j h TYR 51 Ca 0.22 -0.25 0.05 0.00 2.58 0.00 0.00 58.73 61.33 2a3j h TYR 51 Cb 0.94 -0.09 -0.06 0.00 1.55 0.00 0.00 36.73 39.07 2a3j h TYR 51 CO 0.00 1.00 -0.30 0.00 -1.32 0.00 0.00 178.16 177.54 2a3j h ALA 52 N 0.45 -0.33 -0.58 1.82 0.00 -0.92 0.24 119.26 119.94 2a3j h ALA 52 Ca -0.03 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 2a3j h ALA 52 Cb 1.05 0.58 -0.03 0.00 0.00 0.00 0.00 17.79 19.40 2a3j h ALA 52 CO 0.08 -0.77 0.14 -0.07 0.00 0.00 0.00 179.25 178.63 2a3j h LEU 53 N -0.37 0.84 0.40 0.00 3.38 -1.60 -2.33 115.31 115.63 2a3j h LEU 53 Ca 0.10 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 2a3j h LEU 53 Cb 0.53 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2a3j h LEU 53 CO -0.35 0.82 -0.19 0.00 0.09 0.00 0.00 178.44 178.80 2a3j h ALA 54 N 1.29 -0.53 -0.22 1.53 0.00 -0.72 -2.60 119.26 118.01 2a3j h ALA 54 Ca 0.19 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 55.01 2a3j h ALA 54 Cb 0.31 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2a3j h ALA 54 CO -0.00 -0.77 0.16 1.03 0.00 0.00 0.00 179.25 179.66 2a3j h SER 55 N -0.59 0.06 -0.00 0.00 0.87 -0.48 0.57 113.55 113.98 2a3j h SER 55 Ca -0.05 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.51 2a3j h SER 55 Cb 0.44 -0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 62.39 2a3j h SER 55 CO 0.09 0.04 0.02 0.28 -0.53 0.00 0.00 176.83 176.73 2a3j h SER 56 N 0.07 0.00 0.00 6.23 0.02 -1.01 -3.34 113.55 115.52 2a3j h SER 56 Ca 0.10 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 2a3j h SER 56 Cb 0.32 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.86 2a3j h SER 56 CO -0.01 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.68 2a3j n GLN 57 N -3.18 0.00 -4.50 3.45 1.13 0.01 -5.11 117.38 109.18 2a3j n GLN 57 Ca -0.03 0.00 -0.23 0.00 -1.94 0.00 0.00 57.00 54.80 2a3j n GLN 57 Cb 0.09 -0.14 -0.11 0.00 0.11 0.00 0.00 30.24 30.19 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 -2.88 2.20 0.41 1.08 0.00 -0.14 -4.97 107.32 103.02 2a3j s GLY 58 Ca 0.00 -2.13 -0.24 0.00 0.00 0.00 0.00 44.72 42.35 2a3j s GLY 58 CO 0.00 -1.90 1.10 0.99 0.00 0.00 0.00 173.10 173.29 2a3j s ASP 59 N -3.55 6.58 -0.13 1.64 1.01 -1.26 -3.35 116.67 117.61 2a3j s ASP 59 Ca 0.36 2.16 -0.03 0.00 0.71 0.00 0.00 52.55 55.75 2a3j s ASP 59 Cb 0.09 -2.59 -0.03 0.00 1.01 0.00 0.00 42.92 41.40 2a3j s ASP 59 CO 0.16 -0.62 -0.02 -0.63 0.21 0.00 0.00 175.17 174.27 2a3j s ILE 60 N -1.58 4.05 -0.14 0.77 1.09 -1.26 -1.84 121.20 122.29 2a3j s ILE 60 Ca 0.59 -0.32 0.19 0.00 -1.10 0.00 0.00 60.65 60.01 2a3j s ILE 60 Cb -0.25 -2.75 -0.26 0.00 -1.06 0.00 0.00 42.46 38.15 2a3j s ILE 60 CO 0.31 0.53 0.31 0.18 -0.10 0.00 0.00 174.94 176.17 2a3j n LEU 61 N 3.04 0.17 0.00 2.97 4.77 -0.12 -4.91 117.00 122.92 2a3j n LEU 61 Ca -0.18 0.07 0.00 0.00 -0.03 0.00 0.00 56.01 55.88 2a3j n LEU 61 Cb 0.53 0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.91 2a3j n LEU 61 CO 0.31 0.31 0.00 -0.67 -1.33 0.00 0.00 177.39 176.02 2a3j n ASP 62 N -2.66 0.00 -4.37 -1.43 2.03 -1.21 -5.04 116.55 103.87 2a3j n ASP 62 Ca -0.21 0.00 -0.40 0.00 0.52 0.00 0.00 54.79 54.70 2a3j n ASP 62 Cb 0.96 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 41.24 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 4.45 0.07 5.18 1.01 -1.26 -1.33 121.20 129.32 2a3j s ILE 63 Ca 0.00 -0.85 -0.10 0.00 0.00 0.00 0.00 60.65 59.70 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 -0.19 0.39 -0.69 0.00 0.00 0.00 174.94 174.45 2a3j s VAL 64 N 1.54 5.11 -0.02 2.92 1.01 0.11 -4.98 120.40 126.09 2a3j s VAL 64 Ca 0.02 0.46 -0.00 0.00 0.00 0.00 0.00 61.98 62.46 2a3j s VAL 64 Cb -0.19 -3.64 0.03 0.00 0.00 0.00 0.00 36.38 32.57 2a3j s VAL 64 CO 0.06 0.32 0.03 -0.69 0.00 0.00 0.00 175.10 174.82 2a3j s VAL 65 N -1.36 -0.05 0.00 2.92 1.01 -1.26 -0.25 120.40 121.40 2a3j s VAL 65 Ca 0.32 0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.48 2a3j s VAL 65 Cb -0.14 -0.07 0.00 0.00 0.00 0.00 0.00 36.38 36.17 2a3j s VAL 65 CO 0.17 0.08 0.00 -0.67 0.00 0.00 0.00 175.10 174.68 2a3j n ASP 66 N 4.02 -0.58 -1.33 3.32 2.03 -1.13 -4.87 116.55 118.02 2a3j n ASP 66 Ca -0.26 -0.04 0.05 0.00 0.52 0.00 0.00 54.79 55.06 2a3j n ASP 66 Cb 0.52 0.00 0.25 0.00 -0.72 0.00 0.00 41.12 41.17 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 3.84 -3.58 -2.67 -0.00 -1.26 -4.92 117.00 108.41 2a3j n LEU 67 Ca 0.00 -1.95 -0.26 0.00 -0.00 0.00 0.00 56.01 53.80 2a3j n LEU 67 Cb 0.00 -0.58 0.04 0.00 -0.00 0.00 0.00 43.42 42.88 2a3j n LEU 67 CO 0.00 0.51 -0.03 -1.20 -0.00 0.00 0.00 177.39 176.66 2a3j n SER 68 N 0.46 -5.70 -4.76 1.45 7.64 -1.26 -4.92 113.62 106.52 2a3j n SER 68 Ca 0.17 -0.90 -0.40 0.00 1.01 0.00 0.00 58.87 58.76 2a3j n SER 68 Cb 0.80 -3.66 -0.05 0.00 -1.01 0.00 0.00 64.21 60.29 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 -3.38 7.29 0.07 6.43 1.01 -1.26 -4.70 116.67 122.13 2a3j s ASP 69 Ca 0.40 2.14 0.16 0.00 0.71 0.00 0.00 52.55 55.96 2a3j s ASP 69 Cb -0.13 -2.61 0.68 0.00 1.01 0.00 0.00 42.92 41.86 2a3j s ASP 69 CO 0.84 -0.11 1.50 0.47 0.21 0.00 0.00 175.17 178.07 2a3j n ASP 70 N 1.06 0.17 -0.01 0.27 8.00 -1.26 -0.73 116.55 124.06 2a3j n ASP 70 Ca -0.00 0.55 0.03 0.00 0.71 0.00 0.00 54.79 56.07 2a3j n ASP 70 Cb 0.46 -0.58 -0.03 0.00 -0.02 0.00 0.00 41.12 40.95 2a3j n ASP 70 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2a3j n ASN 71 N -1.69 0.33 0.00 -2.24 4.13 -1.26 -4.88 115.26 109.65 2a3j n ASN 71 Ca 0.03 -0.66 0.00 0.00 1.68 0.00 0.00 54.58 55.62 2a3j n ASN 71 Cb 0.17 0.97 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 -1.11 0.00 -2.96 6.41 7.64 -0.91 -5.10 113.62 117.60 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 0.10 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 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 3.58 -2.20 3.58 0.23 0.00 0.10 -4.55 105.19 105.93 2a3j n GLY 73 Ca 0.00 0.39 -0.13 0.00 0.00 0.00 0.00 46.02 46.28 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 -1.51 2.06 0.22 1.61 -2.85 -1.26 -2.87 119.74 115.13 2a3j s LYS 74 Ca 0.04 -1.71 -0.21 0.00 -1.00 0.00 0.00 55.97 53.09 2a3j s LYS 74 Cb -0.01 0.50 0.07 0.00 -2.06 0.00 0.00 37.83 36.33 2a3j s LYS 74 CO 0.49 -0.89 0.98 0.00 0.10 0.00 0.00 175.35 176.04 2a3j s ALA 75 N -2.72 -1.44 -0.08 0.59 0.00 -0.51 -2.84 121.76 114.75 2a3j s ALA 75 Ca 0.26 -0.37 -0.04 0.00 0.00 0.00 0.00 51.96 51.81 2a3j s ALA 75 Cb -0.02 0.74 0.04 0.00 0.00 0.00 0.00 23.12 23.88 2a3j s ALA 75 CO 0.19 -1.05 0.18 0.71 0.00 0.00 0.00 175.76 175.79 2a3j s TYR 76 N -2.30 -0.23 -0.32 0.00 1.51 0.65 -0.82 117.35 115.84 2a3j s TYR 76 Ca 0.20 0.63 -0.06 0.00 -1.01 0.00 0.00 57.07 56.82 2a3j s TYR 76 Cb -0.03 -0.08 0.03 0.00 -0.11 0.00 0.00 41.96 41.77 2a3j s TYR 76 CO 0.06 -0.22 0.09 0.42 -1.11 0.00 0.00 175.55 174.79 2a3j s ILE 77 N 1.51 3.84 -0.17 2.71 1.01 0.02 0.06 121.20 130.19 2a3j s ILE 77 Ca -0.06 -0.94 -0.22 0.00 0.00 0.00 0.00 60.65 59.43 2a3j s ILE 77 Cb -0.11 -3.09 -0.03 0.00 0.01 0.00 0.00 42.46 39.24 2a3j s ILE 77 CO -0.07 -0.06 0.66 -0.69 0.00 0.00 0.00 174.94 174.78 2a3j s VAL 78 N 1.44 5.02 0.50 2.92 1.01 -0.44 -1.51 120.40 129.34 2a3j s VAL 78 Ca 0.00 1.27 0.06 0.00 0.00 0.00 0.00 61.98 63.31 2a3j s VAL 78 Cb -0.18 -3.98 0.02 0.00 0.00 0.00 0.00 36.38 32.24 2a3j s VAL 78 CO 0.02 0.14 0.39 -0.36 0.00 0.00 0.00 175.10 175.29 2a3j s PHE 79 N 1.67 2.00 0.16 5.22 0.08 0.88 -0.95 117.98 127.04 2a3j s PHE 79 Ca 0.31 -0.72 -0.15 0.00 0.12 0.00 0.00 56.93 56.49 2a3j s PHE 79 Cb -0.16 -2.00 0.06 0.00 -0.57 0.00 0.00 43.02 40.35 2a3j s PHE 79 CO 0.12 -0.34 1.79 0.00 -0.10 0.00 0.00 175.22 176.69 2a3j h ALA 80 N 0.87 0.52 -2.72 5.36 0.00 -1.61 -3.42 119.26 118.26 2a3j h ALA 80 Ca -0.38 0.00 0.10 0.00 0.00 0.00 0.00 54.91 54.63 2a3j h ALA 80 Cb 1.29 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.94 2a3j h ALA 80 CO 0.58 -0.12 0.36 0.99 0.00 0.00 0.00 179.25 181.06 2a3j s THR 81 N -6.15 0.00 0.56 0.00 2.01 -1.26 -4.90 115.64 105.89 2a3j s THR 81 Ca -0.13 -0.85 0.28 0.00 0.31 0.00 0.00 61.69 61.31 2a3j s THR 81 Cb 0.12 -2.20 0.41 0.00 0.01 0.00 0.00 72.50 70.84 2a3j s THR 81 CO 0.72 0.00 1.94 -0.61 -0.69 0.00 0.00 174.62 175.99 2a3j h GLN 82 N 2.00 0.00 0.25 4.92 -0.00 -1.88 -0.78 115.11 119.62 2a3j h GLN 82 Ca -0.23 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.41 2a3j h GLN 82 Cb 1.24 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 28.71 2a3j h GLN 82 CO 0.27 0.00 -0.17 0.93 0.00 0.00 0.00 178.83 179.86 2a3j h GLU 83 N 0.00 -0.40 -0.06 1.69 5.08 -1.95 0.12 114.58 119.06 2a3j h GLU 83 Ca 0.27 0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.59 2a3j h GLU 83 Cb 1.20 0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.55 2a3j h GLU 83 CO -0.00 -0.27 -0.24 0.77 -1.00 0.00 0.00 179.01 178.27 2a3j h SER 84 N -0.42 0.31 0.09 1.42 0.02 -1.68 -3.04 113.55 110.26 2a3j h SER 84 Ca -0.02 -0.64 0.02 0.00 -0.84 0.00 0.00 61.79 60.31 2a3j h SER 84 Cb 0.36 -0.09 -0.05 0.00 0.14 0.00 0.00 62.40 62.76 2a3j h SER 84 CO 0.01 0.90 -0.38 0.00 -1.14 0.00 0.00 176.83 176.22 2a3j h ALA 85 N 0.42 -0.64 -1.00 3.77 0.00 -1.17 -1.16 119.26 119.49 2a3j h ALA 85 Ca -0.01 -0.05 0.18 0.00 0.00 0.00 0.00 54.91 55.02 2a3j h ALA 85 Cb 0.89 0.64 -0.10 0.00 0.00 0.00 0.00 17.79 19.21 2a3j h ALA 85 CO 0.05 -0.92 0.62 0.37 0.00 0.00 0.00 179.25 179.36 2a3j h GLN 86 N -0.59 0.75 0.20 0.00 4.15 -0.86 0.22 115.11 118.98 2a3j h GLN 86 Ca 0.03 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.40 2a3j h GLN 86 Cb 0.63 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 28.15 2a3j h GLN 86 CO -0.24 0.50 -0.09 0.00 -1.93 0.00 0.00 178.83 177.06 2a3j h ALA 87 N 1.63 -0.26 -0.02 3.38 0.00 -1.17 -0.69 119.26 122.13 2a3j h ALA 87 Ca 0.56 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.33 2a3j h ALA 87 Cb 0.86 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 2a3j h ALA 87 CO -0.35 -0.62 -0.28 0.35 0.00 0.00 0.00 179.25 178.35 2a3j h PHE 88 N -0.33 0.04 -0.31 0.00 3.04 -0.23 0.25 116.94 119.40 2a3j h PHE 88 Ca -0.03 -0.01 -0.09 0.00 3.98 0.00 0.00 57.97 61.83 2a3j h PHE 88 Cb 0.25 -0.01 -0.01 0.00 2.56 0.00 0.00 35.95 38.74 2a3j h PHE 88 CO -0.05 0.31 -0.15 0.28 -2.02 0.00 0.00 178.31 176.69 2a3j h VAL 89 N 0.03 1.29 0.00 1.41 2.07 -0.28 -2.21 116.25 118.56 2a3j h VAL 89 Ca 0.00 -1.25 -0.05 0.00 0.82 0.00 0.00 66.70 66.22 2a3j h VAL 89 Cb 0.51 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.71 2a3j h VAL 89 CO 0.04 0.40 -0.48 -0.33 0.02 0.00 0.00 177.57 177.22 2a3j h GLU 90 N 0.42 0.00 0.00 1.57 4.39 -0.90 0.24 114.58 120.30 2a3j h GLU 90 Ca 0.07 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.73 2a3j h GLU 90 Cb 0.67 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.32 2a3j h GLU 90 CO 0.05 0.19 -0.18 0.00 -1.16 0.00 0.00 179.01 177.90 2a3j h ALA 91 N 1.78 0.92 0.00 3.43 0.00 -0.43 -3.28 119.26 121.69 2a3j h ALA 91 Ca -0.02 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2a3j h ALA 91 Cb 1.18 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2a3j h ALA 91 CO 0.03 0.23 -0.02 1.19 0.00 0.00 0.00 179.25 180.68 2a3j n PHE 92 N -3.21 0.00 -0.35 0.00 3.01 -0.84 -4.80 117.46 111.28 2a3j n PHE 92 Ca 0.02 -0.29 0.31 0.00 1.01 0.00 0.00 57.45 58.50 2a3j n PHE 92 Cb 0.52 -0.03 0.64 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 0.17 -2.02 -1.08 4.15 -0.56 -2.77 115.11 113.00 2a3j h GLN 93 Ca 0.00 -0.01 -0.49 0.00 0.77 0.00 0.00 58.65 58.92 2a3j h GLN 93 Cb 0.77 -0.04 -0.40 0.00 0.21 0.00 0.00 27.48 28.02 2a3j h GLN 93 CO 0.00 0.11 -1.15 0.41 -1.93 0.00 0.00 178.83 176.27 2a3j n GLY 94 N -1.62 3.68 3.18 2.39 0.00 -1.26 -4.73 105.19 106.83 2a3j n GLY 94 Ca 0.27 -1.76 -0.28 0.00 0.00 0.00 0.00 46.02 44.26 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 -2.40 1.93 -0.43 1.61 6.14 -1.05 -5.07 117.35 118.08 2a3j s TYR 95 Ca 0.40 -0.53 -0.28 0.00 0.64 0.00 0.00 57.07 57.31 2a3j s TYR 95 Cb 0.33 -1.28 -0.01 0.00 0.42 0.00 0.00 41.96 41.42 2a3j s TYR 95 CO -0.09 -0.15 1.75 -1.25 0.64 0.00 0.00 175.55 176.45 2a3j s PRO 96 N -0.11 3.16 0.00 4.97 0.04 -1.26 -4.25 135.00 137.56 2a3j s PRO 96 Ca -0.02 1.09 0.00 0.00 0.04 0.00 0.00 61.00 62.12 2a3j s PRO 96 Cb -0.11 -4.23 -0.00 0.00 0.04 0.00 0.00 34.50 30.20 2a3j s PRO 96 CO 0.02 -2.07 -0.02 0.12 0.04 0.00 0.00 177.00 175.09 2a3j s PHE 97 N 7.30 0.17 -1.21 0.56 5.36 -1.25 -4.80 117.98 124.11 2a3j s PHE 97 Ca 0.73 -0.11 0.00 0.00 -0.96 0.00 0.00 56.93 56.58 2a3j s PHE 97 Cb -0.18 -0.11 0.00 0.00 -0.34 0.00 0.00 43.02 42.39 2a3j s PHE 97 CO 0.29 -0.03 0.00 0.94 -1.46 0.00 0.00 175.22 174.96 2a3j n GLN 98 N 2.77 -1.99 0.00 10.12 0.00 -1.26 -3.17 117.38 123.86 2a3j n GLN 98 Ca -0.14 0.68 0.00 0.00 -0.00 0.00 0.00 57.00 57.54 2a3j n GLN 98 Cb 0.59 -5.22 0.00 0.00 0.00 0.00 0.00 30.24 25.60 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 -0.72 1.93 0.00 1.69 0.00 -1.26 -4.41 105.19 102.42 2a3j n GLY 99 Ca -0.16 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.51 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 -4.56 1.61 5.15 -1.19 -4.99 115.26 111.27 2a3j n ASN 100 Ca 0.00 0.00 -0.40 0.00 -0.60 0.00 0.00 54.58 53.58 2a3j n ASN 100 Cb 0.00 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 39.22 2a3j n ASN 100 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2a3j s PRO 101 N 0.00 2.83 -0.19 1.20 0.04 -1.26 -3.91 135.00 133.71 2a3j s PRO 101 Ca 0.00 0.79 -0.01 0.00 0.04 0.00 0.00 61.00 61.83 2a3j s PRO 101 Cb 0.00 -4.33 0.01 0.00 0.04 0.00 0.00 34.50 30.22 2a3j s PRO 101 CO 0.00 -2.48 -0.14 -1.17 0.04 0.00 0.00 177.00 173.25 2a3j s LEU 102 N 8.39 2.46 -0.11 -3.56 0.20 -1.26 -4.74 118.68 120.05 2a3j s LEU 102 Ca 0.69 -0.53 0.02 0.00 0.69 0.00 0.00 54.13 55.00 2a3j s LEU 102 Cb -0.15 -1.58 -0.01 0.00 -0.43 0.00 0.00 46.19 44.02 2a3j s LEU 102 CO 0.24 0.01 -0.17 -0.69 -0.29 0.00 0.00 176.35 175.45 2a3j s VAL 103 N 1.26 2.70 -0.07 1.68 1.01 -1.26 -4.62 120.40 121.11 2a3j s VAL 103 Ca 0.03 -0.79 -0.02 0.00 0.00 0.00 0.00 61.98 61.20 2a3j s VAL 103 Cb -0.14 -2.10 0.03 0.00 0.00 0.00 0.00 36.38 34.17 2a3j s VAL 103 CO -0.07 0.54 0.02 0.27 0.00 0.00 0.00 175.10 175.86 2a3j s ILE 104 N 0.29 0.23 0.21 2.22 -0.00 -1.26 -3.70 121.20 119.19 2a3j s ILE 104 Ca -0.12 0.20 -0.06 0.00 -0.00 0.00 0.00 60.65 60.66 2a3j s ILE 104 Cb -0.16 -0.43 -0.02 0.00 -0.00 0.00 0.00 42.46 41.85 2a3j s ILE 104 CO 0.07 0.22 0.27 0.42 -0.00 0.00 0.00 174.94 175.92 2a3j s THR 105 N 2.03 0.01 0.59 8.37 -4.23 -1.16 -4.90 115.64 116.35 2a3j s THR 105 Ca 0.05 -1.71 -0.07 0.00 -1.18 0.00 0.00 61.69 58.78 2a3j s THR 105 Cb -0.12 -2.30 -0.01 0.00 1.34 0.00 0.00 72.50 71.41 2a3j s THR 105 CO -0.05 -0.05 0.92 -0.36 -0.54 0.00 0.00 174.62 174.54 2a3j s PHE 106 N -4.08 3.38 0.25 3.99 0.08 -1.26 -0.08 117.98 120.25 2a3j s PHE 106 Ca 0.30 0.83 0.02 0.00 0.12 0.00 0.00 56.93 58.19 2a3j s PHE 106 Cb 0.04 -2.69 -0.01 0.00 -0.57 0.00 0.00 43.02 39.79 2a3j s PHE 106 CO 0.09 -0.74 0.06 0.45 -0.10 0.00 0.00 175.22 174.98 2a3j n SER 107 N -2.60 1.52 -4.74 1.36 2.88 -0.77 -4.53 113.62 106.74 2a3j n SER 107 Ca 0.04 -2.24 -0.41 0.00 -1.33 0.00 0.00 58.87 54.93 2a3j n SER 107 Cb 0.56 0.49 -0.05 0.00 -0.75 0.00 0.00 64.21 64.47 2a3j n SER 107 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 2a3j s GLU 108 N -2.92 4.78 -0.43 -1.46 2.02 -1.26 -4.78 118.70 114.65 2a3j s GLU 108 Ca 0.09 1.47 0.08 0.00 0.02 0.00 0.00 54.97 56.62 2a3j s GLU 108 Cb 0.00 -3.33 0.26 0.00 0.10 0.00 0.00 34.13 31.17 2a3j s GLU 108 CO 0.06 0.37 0.71 0.25 0.02 0.00 0.00 175.26 176.68 2a3j n THR 109 N 2.12 -0.35 -1.12 3.63 -2.24 -1.26 -4.97 114.28 110.09 2a3j n THR 109 Ca 0.00 -3.01 -0.29 0.00 -2.27 0.00 0.00 64.05 58.48 2a3j n THR 109 Cb 0.48 -0.33 0.21 0.00 -2.10 0.00 0.00 70.33 68.59 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 -0.54 -0.54 -0.06 -0.78 0.04 -1.26 -4.84 135.00 127.01 2a3j s PRO 110 Ca 0.34 0.17 0.16 0.00 0.04 0.00 0.00 61.00 61.71 2a3j s PRO 110 Cb 0.22 -1.65 0.30 0.00 0.04 0.00 0.00 34.50 33.40 2a3j s PRO 110 CO -0.15 -3.31 1.14 0.00 0.04 0.00 0.00 177.00 174.72 2a3j n GLN 111 N -4.52 0.32 0.19 4.56 10.64 -1.26 -4.90 117.38 122.41 2a3j n GLN 111 Ca 0.10 -1.80 0.05 0.00 -1.83 0.00 0.00 57.00 53.52 2a3j n GLN 111 Cb 0.59 0.00 0.33 0.00 -0.86 0.00 0.00 30.24 30.30 2a3j n GLN 111 CO 0.00 0.00 0.00 0.77 -1.83 0.00 0.00 177.06 176.00 2a3j h SER 112 N 0.87 0.00 -0.32 2.61 0.02 -2.00 -2.97 113.55 111.77 2a3j h SER 112 Ca -0.35 0.00 0.04 0.00 -0.84 0.00 0.00 61.79 60.64 2a3j h SER 112 Cb 1.62 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 64.14 2a3j h SER 112 CO -0.04 0.39 0.21 0.06 -1.14 0.00 0.00 176.83 176.31 2a3j h GLN 113 N 0.00 0.27 -0.50 3.45 3.07 -2.04 -0.91 115.11 118.44 2a3j h GLN 113 Ca -0.00 -0.02 -0.17 0.00 0.09 0.00 0.00 58.65 58.55 2a3j h GLN 113 Cb 0.89 -0.06 -0.10 0.00 0.08 0.00 0.00 27.48 28.29 2a3j h GLN 113 CO 0.05 0.18 0.12 1.33 0.09 0.00 0.00 178.83 180.60 2a3j n VAL 114 N -4.49 2.66 0.06 1.86 0.24 -1.13 -4.53 118.33 113.01 2a3j n VAL 114 Ca 0.03 -2.07 -0.15 0.00 -2.04 0.00 0.00 64.34 60.11 2a3j n VAL 114 Cb 0.19 -0.33 -0.06 0.00 -1.47 0.00 0.00 33.84 32.17 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 1.78 0.30 -0.76 2.33 0.00 -1.15 -3.26 119.26 118.50 2a3j h ALA 115 Ca 0.21 -0.71 0.12 0.00 0.00 0.00 0.00 54.91 54.52 2a3j h ALA 115 Cb 1.92 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 19.63 2a3j h ALA 115 CO 0.51 0.79 0.36 0.93 0.00 0.00 0.00 179.25 181.85 2a3j h GLU 116 N 0.27 0.56 0.00 0.00 5.08 -1.80 -3.52 114.58 115.17 2a3j h GLU 116 Ca -0.09 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 2a3j h GLU 116 Cb 1.62 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.74 2a3j h GLU 116 CO 0.17 0.37 0.00 -0.25 -1.00 0.00 0.00 179.01 178.30