#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 0.57 -2.82 0.04 -1.26 -4.99 135.00 130.11 2a3j s PRO 23 Ca 0.00 1.46 -0.18 0.00 0.04 0.00 0.00 61.00 62.31 2a3j s PRO 23 Cb 0.00 -4.10 -0.04 0.00 0.04 0.00 0.00 34.50 30.39 2a3j s PRO 23 CO 0.00 -1.57 1.12 -1.25 0.04 0.00 0.00 177.00 175.34 2a3j s PRO 24 N 5.13 3.23 -0.65 0.56 0.04 -1.26 -4.98 135.00 137.06 2a3j s PRO 24 Ca 0.74 1.56 -0.21 0.00 0.04 0.00 0.00 61.00 63.13 2a3j s PRO 24 Cb -0.22 -1.99 0.09 0.00 0.04 0.00 0.00 34.50 32.41 2a3j s PRO 24 CO 0.32 -0.94 0.87 -1.01 0.04 0.00 0.00 177.00 176.28 2a3j s HIS 25 N -1.91 2.85 -0.44 0.56 3.76 -1.26 -4.91 115.29 113.94 2a3j s HIS 25 Ca 0.71 -0.79 0.06 0.00 -0.15 0.00 0.00 55.06 54.89 2a3j s HIS 25 Cb -0.23 -4.18 0.20 0.00 1.11 0.00 0.00 32.58 29.49 2a3j s HIS 25 CO 0.30 -1.49 0.55 0.25 -0.85 0.00 0.00 174.74 173.50 2a3j n THR 26 N 5.72 -0.65 -1.33 1.30 -2.24 -1.26 -5.12 114.28 110.70 2a3j n THR 26 Ca -0.04 -2.76 0.06 0.00 -2.27 0.00 0.00 64.05 59.03 2a3j n THR 26 Cb 0.44 -0.70 -0.03 0.00 -2.10 0.00 0.00 70.33 67.95 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 2.33 -3.35 -0.03 -0.78 1.02 -1.26 -4.75 120.64 113.81 2a3j n GLU 27 Ca 0.22 2.65 -0.13 0.00 -0.02 0.00 0.00 57.16 59.88 2a3j n GLU 27 Cb 0.53 -3.47 -0.09 0.00 -0.02 0.00 0.00 31.44 28.39 2a3j n GLU 27 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 2a3j h PRO 28 N -0.37 0.13 -4.97 3.49 0.13 -1.96 -3.49 132.00 124.96 2a3j h PRO 28 Ca -0.07 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.99 2a3j h PRO 28 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 2a3j h PRO 28 CO 0.03 0.58 -0.09 0.43 -0.23 0.00 0.00 178.00 178.72 2a3j n SER 29 N -4.74 -6.90 -1.98 1.44 7.64 -1.26 -4.40 113.62 103.42 2a3j n SER 29 Ca -0.08 0.05 -0.19 0.00 1.01 0.00 0.00 58.87 59.66 2a3j n SER 29 Cb 0.29 -4.64 0.14 0.00 -1.01 0.00 0.00 64.21 58.99 2a3j n SER 29 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2a3j n GLN 30 N -1.38 2.00 -4.02 1.43 6.02 -1.26 -3.72 117.38 116.46 2a3j n GLN 30 Ca 0.02 -2.38 -0.08 0.00 -0.01 0.00 0.00 57.00 54.55 2a3j n GLN 30 Cb 0.48 -1.93 -0.10 0.00 1.02 0.00 0.00 30.24 29.70 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 -2.66 0.15 -0.02 5.09 -7.23 -1.26 -1.82 120.40 112.65 2a3j s VAL 31 Ca 0.45 -1.26 0.04 0.00 -1.81 0.00 0.00 61.98 59.40 2a3j s VAL 31 Cb 0.38 -0.80 -0.01 0.00 0.56 0.00 0.00 36.38 36.52 2a3j s VAL 31 CO 0.08 -0.70 -0.14 0.68 -0.31 0.00 0.00 175.10 174.72 2a3j s VAL 32 N -2.49 1.11 -0.21 1.32 -7.23 -0.94 -2.51 120.40 109.45 2a3j s VAL 32 Ca -0.06 -0.58 -0.07 0.00 -1.81 0.00 0.00 61.98 59.45 2a3j s VAL 32 Cb -0.02 -0.94 -0.04 0.00 0.56 0.00 0.00 36.38 35.94 2a3j s VAL 32 CO -0.05 0.32 0.06 -0.22 -0.31 0.00 0.00 175.10 174.90 2a3j s LEU 33 N -0.19 3.62 0.09 1.32 2.96 0.59 -0.89 118.68 126.17 2a3j s LEU 33 Ca 0.03 -0.05 0.08 0.00 -0.22 0.00 0.00 54.13 53.96 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 0.09 -0.16 0.27 -1.32 0.00 0.00 176.35 175.23 2a3j s ILE 34 N 0.86 2.98 0.16 6.68 -0.00 0.12 -2.55 121.20 129.45 2a3j s ILE 34 Ca 0.03 -1.32 0.04 0.00 -0.00 0.00 0.00 60.65 59.39 2a3j s ILE 34 Cb -0.14 -2.34 -0.01 0.00 -0.00 0.00 0.00 42.46 39.97 2a3j s ILE 34 CO 0.02 0.19 0.14 0.35 -0.00 0.00 0.00 174.94 175.64 2a3j n THR 35 N 1.03 0.00 -3.41 8.37 -2.24 -1.23 -1.29 114.28 115.52 2a3j n THR 35 Ca -0.15 -1.17 -0.18 0.00 -2.27 0.00 0.00 64.05 60.27 2a3j n THR 35 Cb 0.52 0.59 0.08 0.00 -2.10 0.00 0.00 70.33 69.43 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 -2.33 -3.68 -4.36 3.42 4.05 -1.20 -4.25 115.26 106.91 2a3j n ASN 36 Ca 0.04 -0.55 -0.32 0.00 0.45 0.00 0.00 54.58 54.20 2a3j n ASN 36 Cb 0.30 -4.76 -0.15 0.00 1.23 0.00 0.00 39.78 36.39 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 -3.32 2.66 -0.19 -1.44 -4.36 -1.14 -4.89 121.20 108.52 2a3j s ILE 37 Ca 0.22 -0.84 -0.29 0.00 -0.26 0.00 0.00 60.65 59.49 2a3j s ILE 37 Cb -0.10 -2.05 -0.04 0.00 1.25 0.00 0.00 42.46 41.52 2a3j s ILE 37 CO 0.68 0.56 1.89 0.21 0.24 0.00 0.00 174.94 178.52 2a3j s ASN 38 N -0.11 6.03 0.15 4.36 3.84 -1.26 -4.57 114.94 123.38 2a3j s ASN 38 Ca -0.03 1.83 0.20 0.00 0.21 0.00 0.00 52.86 55.06 2a3j s ASN 38 Cb -0.14 -2.52 0.83 0.00 -0.55 0.00 0.00 41.25 38.87 2a3j s ASN 38 CO 0.04 -1.51 1.60 -0.81 -2.79 0.00 0.00 177.10 173.63 2a3j n PRO 39 N 8.11 0.11 0.12 0.43 -0.04 -1.26 -3.05 135.00 139.42 2a3j n PRO 39 Ca 0.23 0.36 0.19 0.00 -0.04 0.00 0.00 63.50 64.24 2a3j n PRO 39 Cb 0.45 -1.72 0.76 0.00 -0.04 0.00 0.00 33.50 32.95 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 -5.98 0.54 5.08 -1.88 -3.40 114.58 108.94 2a3j h GLU 40 Ca 0.00 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.78 2a3j h GLU 40 Cb 0.31 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.50 2a3j h GLU 40 CO 0.00 0.00 -0.08 0.54 -1.00 0.00 0.00 179.01 178.47 2a3j s VAL 41 N -4.62 5.00 0.30 3.13 0.11 -1.17 -5.05 120.40 118.09 2a3j s VAL 41 Ca -0.04 1.09 -0.29 0.00 -2.93 0.00 0.00 61.98 59.81 2a3j s VAL 41 Cb 0.15 -3.86 -0.10 0.00 -1.53 0.00 0.00 36.38 31.05 2a3j s VAL 41 CO 0.55 0.43 1.23 -2.16 -3.33 0.00 0.00 175.10 171.82 2a3j s PRO 42 N -0.17 4.46 0.42 1.54 0.04 -1.26 -4.77 135.00 135.26 2a3j s PRO 42 Ca 0.28 2.05 0.20 0.00 0.04 0.00 0.00 61.00 63.58 2a3j s PRO 42 Cb -0.17 -3.12 1.16 0.00 0.04 0.00 0.00 34.50 32.40 2a3j s PRO 42 CO 0.15 -0.05 1.80 -0.22 0.04 0.00 0.00 177.00 178.72 2a3j h LYS 43 N 3.70 0.34 -0.29 4.56 3.11 -1.94 0.31 116.57 126.36 2a3j h LYS 43 Ca -0.48 -0.02 0.06 0.00 -2.81 0.00 0.00 60.65 57.41 2a3j h LYS 43 Cb 1.22 -0.08 -0.07 0.00 -1.00 0.00 0.00 32.23 32.31 2a3j h LYS 43 CO 0.67 0.22 -0.15 1.49 -2.81 0.00 0.00 179.45 178.87 2a3j h GLU 44 N 0.35 -0.11 0.08 1.90 4.81 -1.99 0.36 114.58 119.98 2a3j h GLU 44 Ca 0.55 0.01 -0.15 0.00 -0.13 0.00 0.00 59.36 59.64 2a3j h GLU 44 Cb 1.50 0.03 0.01 0.00 0.63 0.00 0.00 28.75 30.91 2a3j h GLU 44 CO -0.23 -0.07 -0.71 -0.22 -0.73 0.00 0.00 179.01 177.05 2a3j h LYS 45 N -0.12 0.18 0.21 1.92 3.11 -1.49 -3.20 116.57 117.18 2a3j h LYS 45 Ca 0.15 -0.30 0.01 0.00 -2.81 0.00 0.00 60.65 57.70 2a3j h LYS 45 Cb 0.34 0.11 -0.04 0.00 -1.00 0.00 0.00 32.23 31.64 2a3j h LYS 45 CO -0.36 1.14 -0.49 1.25 -2.81 0.00 0.00 179.45 178.18 2a3j h LEU 46 N -0.60 -1.45 -0.68 5.20 6.46 -0.38 -2.08 115.31 121.77 2a3j h LEU 46 Ca -0.14 0.15 0.14 0.00 -0.12 0.00 0.00 57.88 57.90 2a3j h LEU 46 Cb 1.44 0.53 -0.10 0.00 -0.73 0.00 0.00 40.66 41.80 2a3j h LEU 46 CO 0.06 -0.57 0.17 -0.61 -0.62 0.00 0.00 178.44 176.88 2a3j h GLN 47 N -0.79 0.28 -0.96 1.25 4.15 -0.45 0.57 115.11 119.17 2a3j h GLN 47 Ca -0.01 -0.02 0.19 0.00 0.77 0.00 0.00 58.65 59.58 2a3j h GLN 47 Cb 0.77 -0.06 -0.11 0.00 0.21 0.00 0.00 27.48 28.29 2a3j h GLN 47 CO -0.23 0.18 0.55 0.00 -1.93 0.00 0.00 178.83 177.41 2a3j h ALA 48 N 1.55 1.57 -0.11 3.38 0.00 -1.39 -0.99 119.26 123.27 2a3j h ALA 48 Ca 0.37 0.09 -0.09 0.00 0.00 0.00 0.00 54.91 55.28 2a3j h ALA 48 Cb 0.60 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2a3j h ALA 48 CO -0.45 -0.10 -0.29 1.25 0.00 0.00 0.00 179.25 179.65 2a3j h LEU 49 N 0.69 0.45 -1.16 0.00 7.12 -0.36 -2.43 115.31 119.62 2a3j h LEU 49 Ca 0.56 -0.59 0.16 0.00 0.13 0.00 0.00 57.88 58.14 2a3j h LEU 49 Cb 0.88 -0.13 -0.08 0.00 -0.53 0.00 0.00 40.66 40.79 2a3j h LEU 49 CO -0.40 0.96 0.61 -0.07 -0.13 0.00 0.00 178.44 179.41 2a3j h LEU 50 N -0.03 0.73 -0.13 2.25 3.38 -0.09 0.09 115.31 121.51 2a3j h LEU 50 Ca -0.01 0.06 -0.21 0.00 0.09 0.00 0.00 57.88 57.81 2a3j h LEU 50 Cb 0.91 -0.08 0.01 0.00 0.09 0.00 0.00 40.66 41.59 2a3j h LEU 50 CO 0.06 0.34 -0.74 0.22 0.09 0.00 0.00 178.44 178.41 2a3j h TYR 51 N 0.76 1.01 0.22 1.13 5.03 -1.21 -1.29 116.97 122.61 2a3j h TYR 51 Ca 0.50 -0.45 -0.01 0.00 2.58 0.00 0.00 58.73 61.35 2a3j h TYR 51 Cb 0.77 -0.15 0.00 0.00 1.55 0.00 0.00 36.73 38.90 2a3j h TYR 51 CO -0.00 1.28 -0.11 0.00 -1.32 0.00 0.00 178.16 178.01 2a3j h ALA 52 N 0.52 -0.29 0.00 1.82 0.00 -0.67 0.81 119.26 121.46 2a3j h ALA 52 Ca -0.05 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 2a3j h ALA 52 Cb 1.38 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 2a3j h ALA 52 CO 0.15 -0.66 -0.44 1.37 0.00 0.00 0.00 179.25 179.67 2a3j h LEU 53 N -0.30 0.00 0.07 0.00 8.10 -1.12 -3.15 115.31 118.91 2a3j h LEU 53 Ca -0.03 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 57.96 2a3j h LEU 53 Cb 0.23 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.45 2a3j h LEU 53 CO 0.05 0.44 -0.04 0.00 -4.11 0.00 0.00 178.44 174.78 2a3j h ALA 54 N 1.56 -0.10 -0.75 0.17 0.00 -0.88 -3.03 119.26 116.24 2a3j h ALA 54 Ca -0.00 -0.21 0.22 0.00 0.00 0.00 0.00 54.91 54.92 2a3j h ALA 54 Cb 0.79 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 2a3j h ALA 54 CO 0.06 -0.35 0.55 1.03 0.00 0.00 0.00 179.25 180.54 2a3j h SER 55 N -0.52 0.00 -0.19 0.00 0.87 -0.82 0.27 113.55 113.16 2a3j h SER 55 Ca -0.01 0.00 0.05 0.00 -1.23 0.00 0.00 61.79 60.60 2a3j h SER 55 Cb 0.44 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.40 2a3j h SER 55 CO 0.02 0.00 0.23 -1.28 -0.53 0.00 0.00 176.83 175.27 2a3j h SER 56 N 0.00 0.00 0.00 6.23 0.87 -1.49 -3.33 113.55 115.83 2a3j h SER 56 Ca 0.36 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.92 2a3j h SER 56 Cb 1.45 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.41 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 -3.70 0.00 -4.51 2.24 1.13 0.87 -5.11 117.38 108.30 2a3j n GLN 57 Ca 0.02 0.00 -0.24 0.00 -1.94 0.00 0.00 57.00 54.84 2a3j n GLN 57 Cb 0.35 -0.22 -0.10 0.00 0.11 0.00 0.00 30.24 30.38 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 -2.61 2.27 0.26 1.08 0.00 -0.83 -5.00 107.32 102.49 2a3j s GLY 58 Ca 0.00 -2.00 -0.30 0.00 0.00 0.00 0.00 44.72 42.42 2a3j s GLY 58 CO 0.00 -1.91 1.07 0.99 0.00 0.00 0.00 173.10 173.24 2a3j s ASP 59 N -3.57 7.35 -0.15 1.64 1.01 -1.26 -3.50 116.67 118.18 2a3j s ASP 59 Ca 0.34 2.18 -0.08 0.00 0.71 0.00 0.00 52.55 55.70 2a3j s ASP 59 Cb 0.08 -2.62 -0.04 0.00 1.01 0.00 0.00 42.92 41.35 2a3j s ASP 59 CO 0.16 -0.09 0.11 -0.63 0.21 0.00 0.00 175.17 174.92 2a3j s ILE 60 N -1.04 5.23 -0.17 0.77 1.09 -1.26 -1.67 121.20 124.15 2a3j s ILE 60 Ca 0.44 0.12 0.18 0.00 -1.10 0.00 0.00 60.65 60.29 2a3j s ILE 60 Cb -0.30 -3.32 -0.26 0.00 -1.06 0.00 0.00 42.46 37.51 2a3j s ILE 60 CO 0.38 0.53 0.16 0.18 -0.10 0.00 0.00 174.94 176.09 2a3j n LEU 61 N 2.79 0.05 0.00 2.97 4.77 0.33 -4.91 117.00 122.99 2a3j n LEU 61 Ca -0.18 0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.82 2a3j n LEU 61 Cb 0.53 0.42 0.00 0.00 -2.33 0.00 0.00 43.42 42.04 2a3j n LEU 61 CO 0.34 0.43 0.00 -0.67 -1.33 0.00 0.00 177.39 176.15 2a3j n ASP 62 N -2.70 0.00 -4.36 -1.43 2.03 -1.20 -5.04 116.55 103.85 2a3j n ASP 62 Ca -0.28 0.00 -0.39 0.00 0.52 0.00 0.00 54.79 54.64 2a3j n ASP 62 Cb 1.08 0.00 -0.12 0.00 -0.72 0.00 0.00 41.12 41.36 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 4.30 0.13 5.18 1.01 -1.26 -1.34 121.20 129.22 2a3j s ILE 63 Ca 0.00 -0.83 -0.10 0.00 0.00 0.00 0.00 60.65 59.72 2a3j s ILE 63 Cb 0.00 -3.35 -0.06 0.00 0.01 0.00 0.00 42.46 39.06 2a3j s ILE 63 CO 0.00 -0.12 0.46 -0.69 0.00 0.00 0.00 174.94 174.59 2a3j s VAL 64 N 1.52 5.01 -0.02 2.92 1.01 0.11 -4.95 120.40 126.01 2a3j s VAL 64 Ca 0.02 0.51 0.00 0.00 0.00 0.00 0.00 61.98 62.51 2a3j s VAL 64 Cb -0.19 -3.66 0.02 0.00 0.00 0.00 0.00 36.38 32.55 2a3j s VAL 64 CO 0.05 0.18 0.02 -0.69 0.00 0.00 0.00 175.10 174.66 2a3j s VAL 65 N -1.52 -0.00 0.00 2.92 1.01 -1.26 -0.06 120.40 121.49 2a3j s VAL 65 Ca 0.38 0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.50 2a3j s VAL 65 Cb -0.13 -0.10 0.00 0.00 0.00 0.00 0.00 36.38 36.15 2a3j s VAL 65 CO 0.20 0.08 0.00 -0.67 0.00 0.00 0.00 175.10 174.70 2a3j n ASP 66 N 3.90 -0.28 -1.20 3.32 2.03 -1.18 -4.86 116.55 118.28 2a3j n ASP 66 Ca -0.24 -0.02 0.05 0.00 0.52 0.00 0.00 54.79 55.09 2a3j n ASP 66 Cb 0.53 0.00 0.22 0.00 -0.72 0.00 0.00 41.12 41.15 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 3.44 -3.60 -2.67 -0.00 -1.26 -4.92 117.00 107.99 2a3j n LEU 67 Ca 0.00 -1.74 -0.28 0.00 -0.00 0.00 0.00 56.01 53.99 2a3j n LEU 67 Cb 0.00 -0.54 0.04 0.00 -0.00 0.00 0.00 43.42 42.92 2a3j n LEU 67 CO 0.00 0.49 -0.04 -1.20 -0.00 0.00 0.00 177.39 176.64 2a3j n SER 68 N 0.44 -5.63 -4.79 1.45 7.64 -1.26 -4.93 113.62 106.54 2a3j n SER 68 Ca 0.16 -0.93 -0.35 0.00 1.01 0.00 0.00 58.87 58.76 2a3j n SER 68 Cb 0.71 -3.64 -0.04 0.00 -1.01 0.00 0.00 64.21 60.23 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 -3.41 6.59 0.00 6.43 1.11 -1.26 -4.73 116.67 121.40 2a3j s ASP 69 Ca 0.43 1.96 0.21 0.00 0.18 0.00 0.00 52.55 55.33 2a3j s ASP 69 Cb -0.14 -2.57 0.98 0.00 1.07 0.00 0.00 42.92 42.25 2a3j s ASP 69 CO 0.84 -0.61 1.65 0.47 1.18 0.00 0.00 175.17 178.71 2a3j n ASP 70 N -0.50 0.00 -0.00 0.27 8.00 -1.26 -1.51 116.55 121.54 2a3j n ASP 70 Ca 0.07 0.18 0.00 0.00 0.71 0.00 0.00 54.79 55.75 2a3j n ASP 70 Cb 0.51 -0.37 -0.00 0.00 -0.02 0.00 0.00 41.12 41.24 2a3j n ASP 70 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2a3j n ASN 71 N -1.37 0.04 0.00 -2.24 2.85 -1.26 -4.90 115.26 108.38 2a3j n ASN 71 Ca 0.08 -0.52 0.00 0.00 -0.11 0.00 0.00 54.58 54.03 2a3j n ASN 71 Cb 0.19 1.00 0.00 0.00 1.24 0.00 0.00 39.78 42.21 2a3j n ASN 71 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 2a3j n SER 72 N -1.02 0.00 -3.01 1.20 7.64 -1.09 -5.09 113.62 112.24 2a3j n SER 72 Ca 0.00 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 59.83 2a3j n SER 72 Cb 0.01 -0.07 0.01 0.00 -1.01 0.00 0.00 64.21 63.15 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 3.31 -1.76 2.81 0.23 0.00 -0.57 -4.53 105.19 104.68 2a3j n GLY 73 Ca 0.00 0.46 -0.11 0.00 0.00 0.00 0.00 46.02 46.36 2a3j n GLY 73 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2a3j n LYS 74 N 0.72 0.63 -3.91 1.61 2.85 -1.26 -2.88 118.16 115.92 2a3j n LYS 74 Ca 0.00 -2.23 -0.03 0.00 -1.05 0.00 0.00 58.31 55.01 2a3j n LYS 74 Cb 0.33 2.22 0.02 0.00 -0.65 0.00 0.00 35.03 36.95 2a3j n LYS 74 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2a3j s ALA 75 N -2.46 -1.67 -0.10 0.58 0.00 -0.41 -3.08 121.76 114.61 2a3j s ALA 75 Ca 0.22 -0.35 -0.04 0.00 0.00 0.00 0.00 51.96 51.79 2a3j s ALA 75 Cb -0.01 0.79 0.05 0.00 0.00 0.00 0.00 23.12 23.95 2a3j s ALA 75 CO 0.16 -1.08 0.22 0.71 0.00 0.00 0.00 175.76 175.77 2a3j s TYR 76 N -2.08 -0.29 -0.38 0.00 1.51 0.92 -0.71 117.35 116.32 2a3j s TYR 76 Ca 0.23 0.73 -0.07 0.00 -1.01 0.00 0.00 57.07 56.95 2a3j s TYR 76 Cb -0.03 -0.02 0.06 0.00 -0.11 0.00 0.00 41.96 41.86 2a3j s TYR 76 CO 0.05 -0.24 0.18 0.42 -1.11 0.00 0.00 175.55 174.85 2a3j s ILE 77 N 1.51 3.91 -0.13 2.71 1.01 -0.07 0.08 121.20 130.21 2a3j s ILE 77 Ca -0.07 -1.35 -0.26 0.00 0.00 0.00 0.00 60.65 58.98 2a3j s ILE 77 Cb -0.11 -3.34 -0.02 0.00 0.01 0.00 0.00 42.46 39.01 2a3j s ILE 77 CO -0.08 -0.37 0.87 -0.69 0.00 0.00 0.00 174.94 174.67 2a3j s VAL 78 N 1.38 4.88 0.51 2.92 1.01 -0.45 -2.21 120.40 128.43 2a3j s VAL 78 Ca 0.01 1.73 0.06 0.00 0.00 0.00 0.00 61.98 63.79 2a3j s VAL 78 Cb -0.21 -4.18 0.02 0.00 0.00 0.00 0.00 36.38 32.01 2a3j s VAL 78 CO 0.02 0.05 0.41 -0.36 0.00 0.00 0.00 175.10 175.22 2a3j s PHE 79 N 1.90 1.93 0.25 5.22 0.08 -0.75 -0.51 117.98 126.09 2a3j s PHE 79 Ca 0.41 -0.74 -0.03 0.00 0.12 0.00 0.00 56.93 56.69 2a3j s PHE 79 Cb -0.17 -1.99 0.42 0.00 -0.57 0.00 0.00 43.02 40.71 2a3j s PHE 79 CO 0.15 -0.39 1.81 0.00 -0.10 0.00 0.00 175.22 176.69 2a3j h ALA 80 N 0.83 1.22 -2.38 5.36 0.00 -1.59 -3.42 119.26 119.28 2a3j h ALA 80 Ca -0.38 0.03 0.17 0.00 0.00 0.00 0.00 54.91 54.74 2a3j h ALA 80 Cb 1.29 -0.14 -0.08 0.00 0.00 0.00 0.00 17.79 18.86 2a3j h ALA 80 CO 0.57 0.11 0.47 0.99 0.00 0.00 0.00 179.25 181.39 2a3j s THR 81 N -6.02 0.00 0.53 0.00 2.01 -1.26 -4.97 115.64 105.93 2a3j s THR 81 Ca -0.12 -0.69 0.30 0.00 0.31 0.00 0.00 61.69 61.49 2a3j s THR 81 Cb 0.20 -2.03 0.47 0.00 0.01 0.00 0.00 72.50 71.15 2a3j s THR 81 CO 0.79 0.00 1.91 -0.61 -0.69 0.00 0.00 174.62 176.01 2a3j h GLN 82 N 2.00 0.01 -0.10 4.92 -0.00 -1.77 -0.49 115.11 119.68 2a3j h GLN 82 Ca -0.24 -0.00 0.02 0.00 -0.00 0.00 0.00 58.65 58.43 2a3j h GLN 82 Cb 1.23 -0.00 -0.02 0.00 0.00 0.00 0.00 27.48 28.69 2a3j h GLN 82 CO 0.26 0.01 -0.03 0.93 0.00 0.00 0.00 178.83 179.99 2a3j h GLU 83 N 0.01 -0.01 -0.09 1.69 5.08 -1.92 0.40 114.58 119.75 2a3j h GLU 83 Ca 0.39 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.66 2a3j h GLU 83 Cb 1.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.83 2a3j h GLU 83 CO -0.01 -0.00 -0.33 0.77 -1.00 0.00 0.00 179.01 178.43 2a3j h SER 84 N -0.01 0.44 -0.55 1.42 0.02 -1.54 -3.00 113.55 110.34 2a3j h SER 84 Ca 0.05 -0.63 0.10 0.00 -0.84 0.00 0.00 61.79 60.47 2a3j h SER 84 Cb 0.08 -0.13 -0.08 0.00 0.14 0.00 0.00 62.40 62.42 2a3j h SER 84 CO -0.11 1.00 0.13 0.00 -1.14 0.00 0.00 176.83 176.70 2a3j h ALA 85 N 0.46 0.64 -0.52 3.77 0.00 -1.16 -0.82 119.26 121.63 2a3j h ALA 85 Ca -0.02 0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.01 2a3j h ALA 85 Cb 0.97 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 2a3j h ALA 85 CO 0.07 -0.29 0.34 0.37 0.00 0.00 0.00 179.25 179.74 2a3j h GLN 86 N 0.27 0.67 -0.76 0.00 4.15 -0.97 0.59 115.11 119.05 2a3j h GLN 86 Ca 0.28 -0.04 0.01 0.00 0.77 0.00 0.00 58.65 59.67 2a3j h GLN 86 Cb 0.39 -0.15 -0.04 0.00 0.21 0.00 0.00 27.48 27.89 2a3j h GLN 86 CO -0.35 0.44 0.50 0.00 -1.93 0.00 0.00 178.83 177.49 2a3j h ALA 87 N 1.20 1.45 -0.06 3.38 0.00 -1.16 -0.58 119.26 123.48 2a3j h ALA 87 Ca 0.19 -0.06 -0.20 0.00 0.00 0.00 0.00 54.91 54.85 2a3j h ALA 87 Cb -0.06 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.42 2a3j h ALA 87 CO -0.05 0.51 -0.80 0.35 0.00 0.00 0.00 179.25 179.25 2a3j h PHE 88 N 1.03 0.64 -0.54 0.00 3.04 -0.59 -0.38 116.94 120.13 2a3j h PHE 88 Ca 0.28 -0.30 -0.12 0.00 3.98 0.00 0.00 57.97 61.81 2a3j h PHE 88 Cb -0.11 -0.09 -0.02 0.00 2.56 0.00 0.00 35.95 38.29 2a3j h PHE 88 CO 0.00 1.09 -0.11 0.28 -2.02 0.00 0.00 178.31 177.54 2a3j h VAL 89 N 0.30 1.27 0.00 1.41 2.07 -0.30 -1.56 116.25 119.43 2a3j h VAL 89 Ca -0.05 -1.28 -0.13 0.00 0.82 0.00 0.00 66.70 66.06 2a3j h VAL 89 Cb 1.40 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 32.12 2a3j h VAL 89 CO 0.14 0.45 -0.69 1.05 0.02 0.00 0.00 177.57 178.54 2a3j h GLU 90 N 0.92 0.00 0.00 1.57 -0.00 -1.14 0.25 114.58 116.18 2a3j h GLU 90 Ca 0.14 0.00 -0.05 0.00 -0.00 0.00 0.00 59.36 59.45 2a3j h GLU 90 Cb 0.69 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.43 2a3j h GLU 90 CO 0.05 0.58 -0.26 0.00 -0.00 0.00 0.00 179.01 179.38 2a3j h ALA 91 N 1.39 0.89 -0.00 1.06 0.00 -0.91 -3.24 119.26 118.45 2a3j h ALA 91 Ca -0.02 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2a3j h ALA 91 Cb 1.48 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.23 2a3j h ALA 91 CO 0.08 0.32 0.00 1.19 0.00 0.00 0.00 179.25 180.84 2a3j n PHE 92 N -3.24 0.00 -0.34 0.00 3.01 -0.60 -4.68 117.46 111.61 2a3j n PHE 92 Ca 0.02 -0.01 0.32 0.00 1.01 0.00 0.00 57.45 58.79 2a3j n PHE 92 Cb 0.55 -0.00 0.68 0.00 -0.01 0.00 0.00 39.48 40.71 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 0.46 0.11 -1.36 -1.08 4.15 -0.51 -2.47 115.11 114.40 2a3j h GLN 93 Ca 0.00 -0.01 -0.42 0.00 0.77 0.00 0.00 58.65 59.00 2a3j h GLN 93 Cb 0.10 -0.02 -0.40 0.00 0.21 0.00 0.00 27.48 27.37 2a3j h GLN 93 CO 0.00 0.07 -1.15 0.41 -1.93 0.00 0.00 178.83 176.23 2a3j n GLY 94 N -1.68 2.52 3.24 2.39 0.00 -1.26 -4.82 105.19 105.58 2a3j n GLY 94 Ca 0.27 -1.54 -0.31 0.00 0.00 0.00 0.00 46.02 44.44 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 -2.95 2.34 -0.38 1.61 6.14 -0.93 -5.08 117.35 118.09 2a3j s TYR 95 Ca 0.33 -0.74 -0.28 0.00 0.64 0.00 0.00 57.07 57.01 2a3j s TYR 95 Cb 0.42 -1.55 -0.01 0.00 0.42 0.00 0.00 41.96 41.24 2a3j s TYR 95 CO -0.01 -0.24 1.72 -1.25 0.64 0.00 0.00 175.55 176.40 2a3j s PRO 96 N -0.04 3.30 -0.01 4.97 0.04 -1.26 -4.30 135.00 137.71 2a3j s PRO 96 Ca -0.06 1.22 -0.03 0.00 0.04 0.00 0.00 61.00 62.16 2a3j s PRO 96 Cb -0.14 -4.18 0.00 0.00 0.04 0.00 0.00 34.50 30.22 2a3j s PRO 96 CO 0.04 -1.90 0.07 0.12 0.04 0.00 0.00 177.00 175.38 2a3j s PHE 97 N 6.82 0.02 -1.05 0.56 5.36 -1.25 -4.83 117.98 123.61 2a3j s PHE 97 Ca 0.74 -0.02 -0.01 0.00 -0.96 0.00 0.00 56.93 56.68 2a3j s PHE 97 Cb -0.19 -0.04 0.00 0.00 -0.34 0.00 0.00 43.02 42.46 2a3j s PHE 97 CO 0.32 -0.14 0.04 1.04 -1.46 0.00 0.00 175.22 175.03 2a3j n GLN 98 N 2.34 -2.37 0.00 10.12 1.13 -1.26 -3.03 117.38 124.31 2a3j n GLN 98 Ca -0.17 0.58 0.00 0.00 -1.94 0.00 0.00 57.00 55.46 2a3j n GLN 98 Cb 0.57 -5.19 0.00 0.00 0.11 0.00 0.00 30.24 25.74 2a3j n GLN 98 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2a3j n GLY 99 N -0.83 2.03 0.00 1.08 0.00 -1.26 -4.64 105.19 101.57 2a3j n GLY 99 Ca -0.13 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.44 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 -4.56 1.61 3.02 -1.17 -5.00 115.26 109.16 2a3j n ASN 100 Ca 0.00 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.16 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 2.75 -0.16 3.52 0.04 -1.26 -3.88 135.00 136.01 2a3j s PRO 101 Ca 0.00 0.71 -0.03 0.00 0.04 0.00 0.00 61.00 61.72 2a3j s PRO 101 Cb 0.00 -4.35 -0.02 0.00 0.04 0.00 0.00 34.50 30.16 2a3j s PRO 101 CO 0.00 -2.58 -0.05 -1.17 0.04 0.00 0.00 177.00 173.24 2a3j s LEU 102 N 8.67 3.16 -0.14 -3.56 0.20 -1.26 -4.90 118.68 120.84 2a3j s LEU 102 Ca 0.68 -0.17 0.02 0.00 0.69 0.00 0.00 54.13 55.35 2a3j s LEU 102 Cb -0.14 -1.76 0.01 0.00 -0.43 0.00 0.00 46.19 43.88 2a3j s LEU 102 CO 0.23 0.16 -0.20 0.54 -0.29 0.00 0.00 176.35 176.79 2a3j s VAL 103 N 0.42 1.93 -0.06 1.68 0.11 -1.26 -4.72 120.40 118.50 2a3j s VAL 103 Ca -0.05 -0.89 0.01 0.00 -2.93 0.00 0.00 61.98 58.13 2a3j s VAL 103 Cb -0.14 -1.73 0.02 0.00 -1.53 0.00 0.00 36.38 33.00 2a3j s VAL 103 CO 0.03 0.52 -0.08 0.27 -3.33 0.00 0.00 175.10 172.51 2a3j s ILE 104 N 1.01 0.86 0.25 7.04 -0.00 -1.26 -3.53 121.20 125.57 2a3j s ILE 104 Ca -0.03 -0.29 -0.05 0.00 -0.00 0.00 0.00 60.65 60.28 2a3j s ILE 104 Cb -0.15 -0.84 -0.02 0.00 -0.00 0.00 0.00 42.46 41.45 2a3j s ILE 104 CO -0.05 0.30 0.31 0.42 -0.00 0.00 0.00 174.94 175.92 2a3j s THR 105 N 0.97 0.00 0.28 8.37 -4.23 -1.06 -4.92 115.64 115.05 2a3j s THR 105 Ca -0.09 -1.74 -0.03 0.00 -1.18 0.00 0.00 61.69 58.65 2a3j s THR 105 Cb -0.15 -2.41 0.06 0.00 1.34 0.00 0.00 72.50 71.34 2a3j s THR 105 CO 0.00 0.00 0.38 0.49 -0.54 0.00 0.00 174.62 174.95 2a3j n PHE 106 N -0.37 -3.66 -3.35 3.99 3.72 -1.26 -0.30 117.46 116.23 2a3j n PHE 106 Ca 0.01 -0.46 -0.03 0.00 -0.05 0.00 0.00 57.45 56.92 2a3j n PHE 106 Cb 0.64 -0.29 0.01 0.00 -0.94 0.00 0.00 39.48 38.90 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 -3.14 -0.74 -4.65 4.37 2.88 -1.04 -3.90 113.62 107.40 2a3j n SER 107 Ca 0.05 -1.57 -0.30 0.00 -1.33 0.00 0.00 58.87 55.73 2a3j n SER 107 Cb 0.19 1.25 -0.09 0.00 -0.75 0.00 0.00 64.21 64.81 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 -2.07 2.39 -0.52 -1.46 -1.05 -1.26 -4.62 118.70 110.11 2a3j s GLU 108 Ca 0.06 -0.91 0.07 0.00 -0.15 0.00 0.00 54.97 54.04 2a3j s GLU 108 Cb -0.01 -2.45 0.24 0.00 -0.44 0.00 0.00 34.13 31.47 2a3j s GLU 108 CO 0.05 0.53 0.62 0.25 0.95 0.00 0.00 175.26 177.65 2a3j n THR 109 N 0.59 0.84 -1.10 1.83 -2.24 -1.26 -4.98 114.28 107.95 2a3j n THR 109 Ca -0.12 -4.60 -0.29 0.00 -2.27 0.00 0.00 64.05 56.77 2a3j n THR 109 Cb 0.52 -2.02 0.22 0.00 -2.10 0.00 0.00 70.33 66.95 2a3j n THR 109 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2a3j s PRO 110 N -1.77 -0.69 -0.14 -0.78 0.04 -1.26 -4.96 135.00 125.44 2a3j s PRO 110 Ca 0.37 0.13 0.15 0.00 0.04 0.00 0.00 61.00 61.69 2a3j s PRO 110 Cb 0.15 -1.64 0.37 0.00 0.04 0.00 0.00 34.50 33.41 2a3j s PRO 110 CO -0.07 -3.40 1.18 0.00 0.04 0.00 0.00 177.00 174.76 2a3j n GLN 111 N -4.58 1.14 0.19 4.56 10.64 -1.26 -4.75 117.38 123.33 2a3j n GLN 111 Ca 0.10 -2.78 0.05 0.00 -1.83 0.00 0.00 57.00 52.54 2a3j n GLN 111 Cb 0.59 -1.23 0.39 0.00 -0.86 0.00 0.00 30.24 29.13 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 0.74 0.00 -0.34 2.61 0.02 -2.00 -2.78 113.55 111.79 2a3j h SER 112 Ca -0.04 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.91 2a3j h SER 112 Cb 1.19 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.71 2a3j h SER 112 CO 0.02 0.36 0.21 0.06 -1.14 0.00 0.00 176.83 176.34 2a3j h GLN 113 N 0.00 0.46 -0.77 3.45 -0.00 -2.03 -1.17 115.11 115.06 2a3j h GLN 113 Ca -0.00 -0.03 -0.26 0.00 -0.00 0.00 0.00 58.65 58.35 2a3j h GLN 113 Cb 0.72 -0.10 -0.16 0.00 -0.00 0.00 0.00 27.48 27.94 2a3j h GLN 113 CO 0.05 0.32 0.32 1.33 -0.00 0.00 0.00 178.83 180.85 2a3j n VAL 114 N -4.47 2.98 0.02 1.86 0.24 -1.05 -4.52 118.33 113.39 2a3j n VAL 114 Ca 0.02 -1.71 -0.08 0.00 -2.04 0.00 0.00 64.34 60.53 2a3j n VAL 114 Cb 0.07 -0.37 -0.06 0.00 -1.47 0.00 0.00 33.84 32.01 2a3j n VAL 114 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2a3j h ALA 115 N 2.38 -0.16 -0.03 2.33 0.00 -1.21 -3.34 119.26 119.23 2a3j h ALA 115 Ca 0.32 -0.20 -0.16 0.00 0.00 0.00 0.00 54.91 54.88 2a3j h ALA 115 Cb 2.41 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 20.25 2a3j h ALA 115 CO 0.79 -0.19 -0.68 1.49 0.00 0.00 0.00 179.25 180.66 2a3j h GLU 116 N -0.96 0.16 0.00 0.00 4.81 -1.79 -3.52 114.58 113.27 2a3j h GLU 116 Ca -0.02 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 2a3j h GLU 116 Cb 0.45 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.85 2a3j h GLU 116 CO 0.03 0.78 0.00 -3.47 -0.73 0.00 0.00 179.01 175.62